data_2fvt_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 2fvt _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 ' 10' ' ' PHE . . . . . 0.455 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 57.2 m-85 . . . . . 0 N--CA 1.455 -0.192 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.624 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 7.9 Cg_endo -87.05 101.01 0.53 Allowed 'Trans proline' 0 N--CA 1.452 -0.934 0 C-N-CA 123.218 2.612 . . . . 0.0 112.412 -174.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.434 ' HD2' ' O ' ' A' ' 12' ' ' ARG . 6.9 tmm_? 61.4 89.48 0.08 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.681 0.753 . . . . 0.0 110.858 179.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.515 HG22 ' H ' ' A' ' 15' ' ' ALA . 29.4 m -114.14 136.7 52.65 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.325 -178.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -104.33 -5.02 22.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.093 0.473 . . . . 0.0 111.023 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.515 ' H ' HG22 ' A' ' 13' ' ' THR . . . -105.57 110.1 22.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.541 -176.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 57.0 mt -108.47 137.68 39.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 173.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -142.19 150.63 41.27 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.881 -173.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 25' ' ' TYR . . . 52.89 84.57 0.05 Allowed 'General case' 0 N--CA 1.465 0.308 0 O-C-N 124.287 0.992 . . . . 0.0 112.775 174.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.757 ' HH ' HG11 ' A' ' 126' ' ' VAL . 52.7 t80 -107.54 131.61 54.15 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.364 177.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 148.79 -104.57 0.28 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.471 177.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -75.24 116.56 16.1 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.965 0.412 . . . . 0.0 110.033 -177.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.47 -1.27 62.02 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.479 -175.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.06 -113.53 4.31 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.066 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -111.57 98.18 7.26 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.458 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 83.7 t80 -92.72 93.41 8.45 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.404 0.621 . . . . 0.0 110.022 -178.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -142.69 135.41 27.99 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.336 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 60.67 83.23 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.03 0.831 . . . . 0.0 112.577 175.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.4 -69.65 2.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.828 -0.701 . . . . 0.0 114.094 170.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.2 tpt -136.23 156.64 48.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.84 0.32 . . . . 0.0 111.242 -171.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.7 m -63.27 138.73 58.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.162 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -119.78 107.41 13.15 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -116.23 175.42 5.56 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.716 0.293 . . . . 0.0 111.098 -176.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.99 -114.12 4.6 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 -176.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.484 ' OG ' ' HB3' ' A' ' 45' ' ' TRP . 7.7 p -141.88 133.08 26.31 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 175.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 97.6 mt -114.13 136.86 52.47 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.047 -176.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.589 ' HG ' ' HB2' ' A' ' 45' ' ' TRP . 97.4 mt -106.26 98.57 8.23 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.963 176.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.507 ' HB2' ' HB2' ' A' ' 121' ' ' ALA . 90.0 m-85 -78.34 96.76 5.39 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.7 mt -107.65 156.49 37.87 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.41 -177.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -57.12 -29.46 83.37 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.598 2.199 . . . . 0.0 112.097 175.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -70.92 -56.19 6.78 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.441 177.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.624 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -169.82 172.97 6.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.042 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.9 t -90.05 101.71 12.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 175.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -103.03 165.17 11.18 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.679 -176.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.03 141.51 15.56 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.101 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.589 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 6.5 t90 -100.6 153.88 19.04 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -100.29 22.69 11.15 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.326 0.584 . . . . 0.0 111.338 -172.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.422 HG12 ' HB2' ' A' ' 52' ' ' GLN . 71.5 t -102.88 129.77 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.13 177.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.6 m -93.38 -42.04 9.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.765 -174.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -139.2 163.68 44.19 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.919 -174.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.428 ' C ' ' H ' ' A' ' 52' ' ' GLN . 53.2 Cg_exo -56.51 165.88 4.08 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.647 2.232 . . . . 0.0 112.305 174.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 71.29 -21.57 0.2 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.53 0.732 . . . . 0.0 112.196 -177.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.428 ' H ' ' C ' ' A' ' 50' ' ' PRO . 49.2 mt-30 -76.88 -5.92 50.36 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.114 0.483 . . . . 0.0 110.26 173.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.413 HD12 HD13 ' A' ' 124' ' ' ILE . 52.6 mt -77.8 86.79 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.548 0.69 . . . . 0.0 109.958 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -108.84 169.99 8.32 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.448 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.3 mtm-85 -59.59 -32.74 70.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.702 0.287 . . . . 0.0 110.806 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -76.67 -28.94 56.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.038 178.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.8 m -73.54 -20.42 60.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.244 0.545 . . . . 0.0 110.176 178.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.6 mt -88.61 19.76 3.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.675 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -49.81 -60.58 2.77 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.64 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -66.56 -19.56 65.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 -176.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.8 t -74.86 -52.58 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.293 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -63.55 -34.41 77.74 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.163 0.506 . . . . 0.0 110.432 176.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -59.63 -36.11 75.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.372 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -111.69 14.99 21.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.042 -177.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.3 -9.04 36.94 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -175.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -71.84 -26.65 62.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.029 0.442 . . . . 0.0 110.466 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.61 1.98 41.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.662 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.3 mt -105.51 115.23 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.851 -176.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.441 ' HB3' ' HB2' ' A' ' 118' ' ' ARG . 10.6 t70 -96.32 -47.67 5.91 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.39 175.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.9 m -117.29 133.97 55.35 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.11 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 55.3 tp -119.66 111.34 17.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.926 0.393 . . . . 0.0 110.199 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 61.9 mt -93.75 117.56 37.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.031 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 87.5 t -101.81 111.06 30.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.815 0.341 . . . . 0.0 110.383 177.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -96.33 108.21 3.64 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 176.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 22.1 p -84.41 7.2 20.42 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -173.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.52 -115.65 4.36 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.711 -0.757 . . . . 0.0 113.312 174.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.17 -22.24 18.57 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -172.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -127.5 155.73 43.28 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -178.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.4 t -90.83 104.42 15.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.058 0.456 . . . . 0.0 111.369 -175.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.426 ' O ' HG22 ' A' ' 99' ' ' THR . 74.8 t90 -97.9 113.82 25.74 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 174.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 7.4 tp -86.98 125.47 40.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 120.977 0.418 . . . . 0.0 110.639 -177.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.14 132.29 93.78 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.418 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.88 149.86 40.1 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.927 2.418 . . . . 0.0 112.088 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 -50.94 -49.36 59.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.93 -176.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -61.82 -46.18 90.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.567 0.222 . . . . 0.0 111.094 -177.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.57 -43.86 98.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.983 0.42 . . . . 0.0 110.673 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.647 ' HG3' HD23 ' A' ' 97' ' ' LEU . 50.8 ttt180 -64.58 -40.46 95.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.428 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -73.31 -35.06 66.02 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.256 -176.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.44 -44.07 92.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.717 177.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.776 HD12 HD21 ' A' ' 97' ' ' LEU . 89.8 mt -63.6 -35.97 82.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.616 178.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -60.88 -33.37 73.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.277 175.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -71.31 -15.97 75.15 Favored Glycine 0 N--CA 1.452 -0.248 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.542 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.414 ' O ' ' HB2' ' A' ' 94' ' ' ASN . 10.3 t -94.61 3.37 9.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 177.21 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 93' ' ' VAL . 45.2 m-80 71.32 17.96 5.74 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.264 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 58.1 t -92.54 117.97 37.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.391 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.8 t -73.6 100.98 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.03 178.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.776 HD21 HD12 ' A' ' 90' ' ' LEU . 40.6 tp -90.17 130.56 36.3 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.158 -178.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -137.87 133.8 34.3 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 173.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.426 HG22 ' O ' ' A' ' 80' ' ' TRP . 22.8 m -106.13 123.99 48.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.268 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.507 ' SD ' ' HB2' ' A' ' 104' ' ' PRO . 40.6 ttm -146.64 165.69 28.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.09 -174.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -77.32 149.25 35.33 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 173.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.564 ' O ' HG13 ' A' ' 106' ' ' ILE . 5.9 m -54.03 -42.29 69.0 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -171.143 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -55.56 -67.37 2.25 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 121.051 -0.595 . . . . 0.0 113.217 -177.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.507 ' HB2' ' SD ' ' A' ' 100' ' ' MET . 32.3 Cg_exo -59.01 -27.85 86.2 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.531 2.154 . . . . 0.0 112.059 177.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.08 -40.69 94.99 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.522 177.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.564 HG13 ' O ' ' A' ' 102' ' ' THR . 88.8 mt -59.07 -45.99 92.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.314 176.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.417 ' O ' HG13 ' A' ' 111' ' ' ILE . 83.9 mtt180 -63.6 -50.77 68.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.052 178.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.501 HG21 ' HE2' ' A' ' 112' ' ' MET . 24.9 m -62.0 -37.61 85.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.85 0.357 . . . . 0.0 110.967 -178.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -61.76 -47.29 85.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.458 176.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -59.58 -29.1 67.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.145 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 107' ' ' ARG . 78.1 mt -77.57 -51.88 17.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.03 178.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.501 ' HE2' HG21 ' A' ' 108' ' ' THR . 65.5 mtm -77.58 -20.38 54.11 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -173.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 10.1 tp -63.94 -35.27 72.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.754 0.311 . . . . 0.0 110.511 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -87.21 -23.01 42.29 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.637 -0.792 . . . . 0.0 111.758 177.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -72.08 -70.6 0.33 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.77 0.319 . . . . 0.0 110.705 -178.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.443 ' O ' ' HG3' ' A' ' 118' ' ' ARG . 2.9 ptp180 -99.21 -28.09 13.5 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -175.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.6 4.52 3.39 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 122.591 0.356 . . . . 0.0 111.666 -177.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' A' ' 116' ' ' ARG . 34.3 mtt180 -108.72 26.41 10.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.209 0.528 . . . . 0.0 110.137 -178.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 7.2 p -105.59 132.4 52.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.984 -174.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -115.84 136.23 53.24 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.631 177.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.507 ' HB2' ' HB2' ' A' ' 37' ' ' PHE . . . -114.51 118.11 32.85 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.982 0.42 . . . . 0.0 111.14 -177.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -104.12 96.11 6.43 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 175.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 90.3 mt -109.09 126.23 52.97 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.065 -174.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.413 HD13 HD12 ' A' ' 53' ' ' ILE . 57.7 mt -101.5 140.29 20.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.841 177.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.28 151.73 36.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.887 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.757 HG11 ' HH ' ' A' ' 19' ' ' TYR . 22.7 m . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.612 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 . . . . . 0 CA--C 1.518 -0.252 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.486 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 88.4 Cg_exo -47.42 -55.68 3.73 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.973 2.449 . . . . 0.0 113.136 -174.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.486 ' HB2' ' O ' ' A' ' 11' ' ' PRO . 21.6 ttm180 169.25 85.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.287 -0.869 . . . . 0.0 108.675 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.4 t -143.77 127.19 16.82 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.273 0.559 . . . . 0.0 111.127 -173.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -106.44 64.54 0.66 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 173.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.46 102.52 15.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.362 -171.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.779 HG21 HD11 ' A' ' 106' ' ' ILE . 35.5 mm -112.09 99.38 8.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 173.226 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -62.9 -56.58 16.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.075 0.464 . . . . 0.0 109.912 -177.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -170.23 174.33 5.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.078 177.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 48.3 p90 -144.63 157.49 44.18 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.834 0.35 . . . . 0.0 110.225 176.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 148.82 108.53 0.49 Allowed Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.936 -0.65 . . . . 0.0 111.495 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.4 tttm 70.01 124.72 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.381 0.61 . . . . 0.0 110.951 -176.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.37 -73.46 1.68 Allowed Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.751 -178.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 177.08 -121.57 0.79 Allowed Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.485 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -114.06 137.74 51.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.654 0.264 . . . . 0.0 110.568 -177.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -104.18 109.24 20.98 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.157 177.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.503 ' HE1' ' HB2' ' A' ' 31' ' ' HIS . 14.4 p90 -140.86 138.02 33.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.219 -178.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 59.89 15.21 4.75 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 176.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.39 -0.41 63.58 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.388 -178.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 65.3 mtt -102.66 131.6 49.34 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.691 0.281 . . . . 0.0 110.932 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.7 m -94.92 90.98 6.19 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 174.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.503 ' HB2' ' HE1' ' A' ' 26' ' ' PHE . 25.7 t60 -89.3 110.02 20.84 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.19 -173.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -82.01 139.61 34.42 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.945 174.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.12 -123.62 6.78 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.292 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.4 p -133.76 155.42 49.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.093 0.473 . . . . 0.0 111.438 -178.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 49.4 mt -122.91 154.47 38.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.47 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 tt -128.39 97.07 4.61 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.512 ' HB2' ' HB1' ' A' ' 121' ' ' ALA . 78.6 m-85 -85.55 125.16 32.88 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.377 -178.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 71.2 mt -116.37 159.6 39.28 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.712 177.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -64.58 -17.11 58.51 Favored 'Trans proline' 0 CA--C 1.529 0.272 0 C-N-CA 122.573 2.182 . . . . 0.0 112.849 -178.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -100.13 -25.05 14.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.712 -0.222 . . . . 0.0 111.588 -176.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -175.97 172.87 2.36 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.87 0.366 . . . . 0.0 111.089 -178.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.0 t -94.55 128.59 45.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.039 177.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 69.9 m95 -126.37 -179.18 4.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.896 0.379 . . . . 0.0 110.313 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -115.46 160.18 13.41 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 121.028 -0.606 . . . . 0.0 111.805 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -112.99 169.51 8.87 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -118.47 23.37 11.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.573 0.702 . . . . 0.0 111.136 -171.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 68.0 t -113.62 103.16 14.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.139 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.9 m -81.28 -34.99 31.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.258 -177.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -124.28 130.12 24.46 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.325 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.27 91.8 0.22 Allowed 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.034 2.49 . . . . 0.0 113.42 -175.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -171.89 -46.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.03 174.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -80.81 42.31 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.814 -177.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 51.6 mt -81.95 80.61 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 171.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -109.11 168.66 9.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.449 -173.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.4 ttp180 -50.31 -37.52 36.88 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.128 0.571 . . . . 0.0 111.698 177.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -73.01 -34.01 66.11 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.853 0.358 . . . . 0.0 111.321 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.6 m -70.45 -24.44 62.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.386 0.612 . . . . 0.0 110.121 177.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.491 HD12 HD22 ' A' ' 90' ' ' LEU . 76.3 mt -99.74 19.84 15.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.446 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -56.29 -42.9 78.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.304 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 73.6 mtm-85 -75.47 -14.61 60.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.636 0.255 . . . . 0.0 111.233 179.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 58.4 t -82.2 -47.81 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.152 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -64.66 -33.79 76.77 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.018 0.437 . . . . 0.0 110.566 177.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -70.37 -48.67 55.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.328 -178.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -95.35 29.23 2.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.062 0.458 . . . . 0.0 110.875 -176.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.03 7.81 1.89 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.574 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -78.08 -36.79 47.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.376 0.608 . . . . 0.0 109.489 174.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.81 -22.88 14.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.9 178.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 62.7 mt -84.58 94.55 3.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.046 0.45 . . . . 0.0 110.784 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.62 ' HB2' ' HD3' ' A' ' 118' ' ' ARG . 7.8 t70 -94.53 -60.49 1.7 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.791 174.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.5 m -104.51 124.09 48.65 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.792 177.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 65.5 tp -116.44 111.89 20.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.784 0.326 . . . . 0.0 110.821 -177.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 62.5 mt -97.31 120.11 46.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.198 178.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.7 t -101.3 122.88 53.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -104.27 98.4 1.54 Allowed Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.385 -176.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.1 p -120.19 97.8 5.76 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.924 0.392 . . . . 0.0 110.793 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.38 8.91 77.4 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.259 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.27 -34.83 15.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.849 0.357 . . . . 0.0 110.852 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -172.94 160.83 4.37 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 -178.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.1 t -86.9 97.71 6.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.913 0.387 . . . . 0.0 110.098 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 61.7 t90 -82.83 118.69 23.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.458 -178.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 66.4 mt -103.79 121.92 55.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.239 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.15 133.18 78.53 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_exo -65.22 165.1 23.09 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.815 2.343 . . . . 0.0 111.363 176.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.576 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 66.8 mtm-85 -64.72 -43.42 93.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.642 -173.022 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -60.74 -46.84 88.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.803 0.335 . . . . 0.0 110.857 -177.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.8 tp -67.81 -38.46 83.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 179.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 31.4 ttp85 -64.89 -43.77 91.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.826 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.576 ' HG2' ' O ' ' A' ' 84' ' ' ARG . 25.7 mm-40 -63.6 -32.44 73.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.933 0.397 . . . . 0.0 110.414 177.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.54 -51.71 47.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.688 177.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.491 HD22 HD12 ' A' ' 58' ' ' LEU . 74.3 mt -67.17 -54.9 16.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.031 -178.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.458 ' HA ' ' O ' ' A' ' 95' ' ' VAL . 18.6 ttt85 -74.15 -19.83 60.43 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.936 0.398 . . . . 0.0 110.738 -173.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -68.84 -33.34 75.1 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.101 177.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.474 HG23 HG22 ' A' ' 95' ' ' VAL . 27.3 m -90.79 26.54 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.841 0.353 . . . . 0.0 110.409 177.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.429 ' HB3' ' O ' ' A' ' 93' ' ' VAL . 7.0 t30 85.29 -24.24 0.14 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.968 174.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.474 HG22 HG23 ' A' ' 93' ' ' VAL . 79.3 t -60.44 108.46 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.376 0.608 . . . . 0.0 111.512 -175.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.1 t -80.02 102.51 6.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.717 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 52.2 tp -78.78 119.68 22.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.498 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -128.52 116.23 19.36 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.19 177.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.9 p -97.43 139.46 33.33 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.015 0.436 . . . . 0.0 111.384 -178.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 52.9 tpp -152.3 164.01 38.29 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.114 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -75.7 155.52 35.6 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 175.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.41 ' O ' HG13 ' A' ' 106' ' ' ILE . 31.6 m -49.07 -51.45 31.35 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -174.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.74 -68.21 1.82 Allowed Glycine 0 CA--C 1.522 0.5 0 C-N-CA 121.231 -0.509 . . . . 0.0 113.298 -177.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -57.66 -27.79 78.83 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 122.7 2.267 . . . . 0.0 112.95 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.87 -47.87 73.45 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.583 0.23 . . . . 0.0 110.713 178.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.779 HD11 HG21 ' A' ' 16' ' ' ILE . 92.3 mt -60.33 -47.03 94.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.52 179.073 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 53.7 ttm-85 -58.64 -51.94 67.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 45.8 m -64.15 -39.6 94.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -64.73 -39.22 93.28 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.282 -0.167 . . . . 0.0 110.852 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.8 -41.35 91.02 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.999 0.428 . . . . 0.0 110.743 177.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 69.3 mt -71.7 -39.54 69.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.395 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.728 ' HE3' ' HA ' ' A' ' 112' ' ' MET . 2.5 tpt -65.39 -51.96 56.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.519 -178.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 11.4 tp -72.23 -17.9 19.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.895 0.379 . . . . 0.0 111.219 -175.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -66.82 -14.15 62.58 Favored Glycine 0 CA--C 1.518 0.254 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.891 -178.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -101.08 6.87 43.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.803 -0.234 . . . . 0.0 110.572 178.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 13.2 ttp85 56.21 78.72 0.19 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.771 0.796 . . . . 0.0 110.083 -175.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -122.54 151.05 41.76 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.184 -174.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.62 ' HD3' ' HB2' ' A' ' 69' ' ' ASP . 10.0 ptp180 -69.59 78.69 0.42 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.375 0.607 . . . . 0.0 110.793 174.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.516 HG21 ' HG2' ' A' ' 112' ' ' MET . 9.7 p -138.58 146.54 26.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.414 -176.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -128.86 155.55 45.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.347 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.512 ' HB1' ' HB2' ' A' ' 37' ' ' PHE . . . -130.62 120.37 23.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.918 0.389 . . . . 0.0 111.522 -178.018 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -105.5 97.57 7.39 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 175.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 91.5 mt -103.3 126.86 50.69 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.048 -173.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 55.1 mt -111.47 138.8 38.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.975 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.89 156.66 38.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.031 0.443 . . . . 0.0 111.161 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 42.6 t . . . . . 0 C--N 1.323 -0.544 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.421 -179.16 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.6 ' HE1' ' HA3' ' A' ' 28' ' ' GLY . 66.6 m-85 . . . . . 0 C--O 1.233 0.217 0 CA-C-O 120.773 0.32 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -82.01 63.5 8.33 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.965 2.444 . . . . 0.0 112.416 -177.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 66.22 92.76 0.07 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.215 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.5 m -91.61 103.62 16.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.803 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -100.89 -4.24 28.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.911 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.03 107.56 14.68 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.797 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.4 mt -118.58 139.62 45.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.419 -178.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -151.51 -169.31 3.34 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 178.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 25' ' ' TYR . . . 55.36 31.32 16.52 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.334 0.588 . . . . 0.0 111.609 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -104.68 130.38 52.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.267 -179.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 165.49 -40.33 0.28 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.1 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -137.9 143.47 40.85 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.59 -52.69 4.49 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.44 177.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.03 -121.14 0.99 Allowed Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 111.636 -0.586 . . . . 0.0 111.636 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -127.19 116.8 21.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.919 0.39 . . . . 0.0 110.791 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.414 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 64.2 t80 -111.46 98.82 7.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.89 174.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -116.11 170.47 8.48 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.981 178.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.4 110.62 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 O-C-N 123.697 0.623 . . . . 0.0 110.907 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.6 ' HA3' ' HE1' ' A' ' 10' ' ' PHE . . . 128.67 -108.63 0.92 Allowed Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.761 -177.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.541 ' HB2' ' HZ ' ' A' ' 10' ' ' PHE . 26.4 mmt -118.89 142.84 47.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.949 0.404 . . . . 0.0 110.862 -175.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.7 p -83.06 152.85 25.18 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.074 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.646 ' HB2' HD23 ' A' ' 35' ' ' LEU . 68.9 m80 -145.25 164.31 31.77 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -109.83 -71.53 0.76 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -174.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.81 -80.2 0.24 Allowed Glycine 0 N--CA 1.455 -0.061 0 CA-C-N 115.857 -0.61 . . . . 0.0 114.091 -168.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.571 ' OG ' ' HB3' ' A' ' 45' ' ' TRP . 7.8 p -145.6 150.07 35.7 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.174 0.511 . . . . 0.0 111.572 -175.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.646 HD23 ' HB2' ' A' ' 31' ' ' HIS . 3.6 mm? -121.64 151.68 40.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.777 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.7 mt -112.29 96.39 5.99 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.698 177.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.517 ' HB2' ' HB2' ' A' ' 121' ' ' ALA . 85.8 m-85 -84.24 95.45 8.68 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.106 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.0 mt -85.57 164.03 41.89 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.508 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -71.65 17.07 0.31 Allowed 'Trans proline' 0 CA--C 1.533 0.45 0 C-N-CA 123.005 2.47 . . . . 0.0 113.804 -175.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -154.15 -32.14 0.11 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -144.34 156.52 44.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.721 0.296 . . . . 0.0 110.913 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.3 t -105.42 116.94 50.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.534 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 35.9 m95 -108.7 174.33 5.92 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.751 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -105.07 150.25 16.99 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.452 176.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.571 ' HB3' ' OG ' ' A' ' 34' ' ' SER . 5.1 t90 -106.58 162.95 13.29 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -110.18 25.56 11.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.348 0.594 . . . . 0.0 110.465 -172.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.408 HG12 ' HB3' ' A' ' 52' ' ' GLN . 92.6 t -113.68 135.42 53.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.583 -178.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 33.1 m -89.51 -38.09 14.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.295 -177.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.61 ' HB2' ' HD2' ' A' ' 50' ' ' PRO . 23.6 pttm -152.83 164.99 18.56 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.682 -0.236 . . . . 0.0 110.689 -177.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.61 ' HD2' ' HB2' ' A' ' 49' ' ' LYS . 11.1 Cg_endo -55.09 166.39 2.25 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.97 2.446 . . . . 0.0 112.444 176.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.501 ' HA ' ' CZ2' ' A' ' 80' ' ' TRP . 34.5 tt0 75.26 -27.39 0.19 Allowed 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.475 0.71 . . . . 0.0 111.062 -178.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.438 ' H ' ' C ' ' A' ' 50' ' ' PRO . 61.8 tt0 -77.83 -2.09 34.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.669 0.747 . . . . 0.0 109.936 174.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 57.2 mt -76.05 110.59 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.294 178.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.443 ' H ' ' HB2' ' A' ' 57' ' ' SER . 2.8 p30 -145.27 -173.32 4.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.796 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.5 ttp-105 -62.99 -36.39 83.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.036 -173.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -78.31 -39.04 40.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.06 0.457 . . . . 0.0 110.232 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.443 ' HB2' ' H ' ' A' ' 54' ' ' ASP . 32.8 m -67.19 -20.81 65.77 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.904 178.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.506 HD11 HD12 ' A' ' 86' ' ' LEU . 85.5 mt -97.17 17.32 17.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.436 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -55.46 -49.74 71.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.436 0.16 . . . . 0.0 111.407 -178.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.7 ttm-85 -62.59 -24.08 67.37 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.982 0.42 . . . . 0.0 110.82 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 65.2 t -77.18 -47.93 25.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.118 178.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.436 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 66.7 m-85 -64.95 -29.7 70.65 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.128 0.49 . . . . 0.0 110.505 176.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -62.19 -30.76 71.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.09 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -123.31 23.78 8.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.67 -177.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.436 ' HB1' ' HA ' ' A' ' 62' ' ' PHE . . . -62.69 -23.93 67.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.999 -175.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -66.87 -18.98 65.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.962 0.41 . . . . 0.0 111.134 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -105.69 6.7 32.15 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.758 -179.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 58.6 mt -112.67 130.16 66.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.245 0.545 . . . . 0.0 111.097 -176.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.506 ' CB ' ' HB2' ' A' ' 118' ' ' ARG . 3.3 t70 -114.7 -47.72 2.88 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.844 178.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 63.8 m -124.66 126.6 45.99 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.102 177.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 57.8 tp -110.1 113.02 25.38 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 62.1 mt -103.28 111.17 32.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.816 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.0 t -94.69 114.9 32.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.061 -178.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -82.86 106.12 2.72 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 175.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.577 ' HB ' ' O ' ' A' ' 78' ' ' ASP . 0.7 OUTLIER -87.78 -1.04 57.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.19 0.519 . . . . 0.0 111.674 -173.155 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.43 -113.11 4.56 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.234 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -109.98 6.26 22.97 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -175.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.577 ' O ' ' HB ' ' A' ' 75' ' ' THR . 35.7 t70 -147.07 151.36 36.74 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.2 t -90.91 108.14 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.928 0.394 . . . . 0.0 110.814 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.501 ' CZ2' ' HA ' ' A' ' 51' ' ' GLU . 40.6 t90 -88.06 140.05 29.89 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 175.018 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 63.2 mt -87.2 100.58 10.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.1 0.476 . . . . 0.0 110.059 -178.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.4 ' HA ' ' HD3' ' A' ' 83' ' ' PRO . . . -58.71 139.99 85.83 Favored Pre-proline 0 C--O 1.236 0.368 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.553 177.081 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.474 ' HD3' ' CH2' ' A' ' 80' ' ' TRP . 50.3 Cg_exo -53.74 134.45 58.7 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.304 2.669 . . . . 0.0 113.103 -175.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -55.12 -46.95 75.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.486 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.65 -46.12 91.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.109 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.506 HD12 HD11 ' A' ' 58' ' ' LEU . 43.3 tp -61.64 -39.93 93.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.505 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 30.0 ttm105 -62.08 -45.54 93.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.567 176.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -68.66 -27.47 66.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.74 -49.27 66.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.949 0.404 . . . . 0.0 110.362 176.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.682 ' HB3' ' HB ' ' A' ' 95' ' ' VAL . 95.8 mt -64.54 -42.26 95.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.151 0.501 . . . . 0.0 110.239 176.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 91' ' ' ARG . 0.1 OUTLIER -62.66 -30.36 71.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.603 178.068 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -67.73 -29.47 73.83 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.099 177.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 40.6 t -83.28 -81.43 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.71 0.291 . . . . 0.0 110.31 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -168.1 15.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.267 0.556 . . . . 0.0 110.143 -178.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.682 ' HB ' ' HB3' ' A' ' 90' ' ' LEU . 48.8 t -114.81 119.52 61.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.914 0.388 . . . . 0.0 111.868 -168.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.6 t -84.62 123.85 39.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 171.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.2 tp -99.89 107.92 20.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.956 0.408 . . . . 0.0 111.64 -174.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -114.93 142.84 46.06 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.423 HG21 ' OG1' ' A' ' 75' ' ' THR . 1.1 m -129.32 127.65 41.54 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 -177.147 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 24.3 ptp -157.79 178.3 10.4 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.579 0.228 . . . . 0.0 110.898 -176.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 -65.47 160.65 21.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.848 0.356 . . . . 0.0 111.229 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.431 ' O ' HG13 ' A' ' 106' ' ' ILE . 0.7 OUTLIER -63.19 -40.56 97.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.031 -177.596 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -54.45 -64.17 4.54 Favored Glycine 0 CA--C 1.522 0.486 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.805 178.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -57.04 -33.51 95.85 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.79 2.327 . . . . 0.0 112.793 177.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.65 -44.62 89.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.747 0.308 . . . . 0.0 111.209 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 102' ' ' THR . 79.5 mt -64.0 -40.26 88.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.211 0.529 . . . . 0.0 109.906 176.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.411 ' O ' HG13 ' A' ' 111' ' ' ILE . 27.5 ttm-85 -65.88 -46.25 79.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.066 -178.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.4 p -66.41 -40.43 89.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.561 -177.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -60.95 -45.68 93.75 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 175.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -55.52 -33.48 63.82 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.117 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 107' ' ' ARG . 83.2 mt -79.54 -53.27 13.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.225 179.029 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 65.8 mtt -64.98 -32.79 74.69 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -173.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 11.0 tp -66.2 -24.43 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.026 0.441 . . . . 0.0 110.748 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -70.37 -30.17 69.45 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.838 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -89.59 2.85 54.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.802 0.334 . . . . 0.0 110.828 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' ' 116' ' ' ARG . 20.4 ttm-85 59.68 32.89 21.73 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.65 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -81.92 145.49 30.29 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 174.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.506 ' HB2' ' CB ' ' A' ' 69' ' ' ASP . 97.5 mtt180 -70.85 75.69 0.62 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.39 0.614 . . . . 0.0 110.886 -178.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 7.2 p -106.49 129.22 60.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.651 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -116.86 121.39 41.35 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.627 177.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.517 ' HB2' ' HB2' ' A' ' 37' ' ' PHE . . . -101.78 109.6 21.4 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.086 0.469 . . . . 0.0 110.933 -178.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -93.96 95.57 9.15 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.158 176.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 80.3 mt -100.64 114.96 29.1 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.121 -173.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 57.0 mt -97.91 128.37 49.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.815 176.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -73.39 148.05 43.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.318 178.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 18.9 m . . . . . 0 C--N 1.322 -0.628 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.031 -179.118 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.429 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 89.6 m-85 . . . . . 0 N--CA 1.457 -0.113 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 10' ' ' PHE . 6.1 Cg_exo -77.17 97.59 1.16 Allowed 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 123.077 2.518 . . . . 0.0 113.841 -167.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.469 ' HG2' ' O ' ' A' ' 39' ' ' PRO . 69.0 mtp85 53.84 33.53 17.28 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.418 169.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.9 t -90.84 118.09 29.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.612 0.72 . . . . 0.0 110.853 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -104.37 26.21 9.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.135 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.38 102.32 15.01 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.92 -176.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.474 HD12 HG23 ' A' ' 106' ' ' ILE . 63.9 mt -111.23 112.49 40.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.242 176.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -81.11 -45.9 15.75 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -174.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -143.51 127.91 17.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.813 0.339 . . . . 0.0 111.705 -177.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -111.04 124.03 51.36 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 172.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.95 140.73 10.09 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 -173.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.9 tttt 68.27 111.85 0.04 OUTLIER 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.435 0.636 . . . . 0.0 110.123 -172.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 75.24 11.31 84.2 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 120.827 -0.701 . . . . 0.0 111.859 -172.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.56 -105.53 2.74 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.75 -178.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -131.76 120.02 22.1 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 176.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.433 ' HD2' ' HG ' ' A' ' 30' ' ' SER . 15.2 t80 -100.84 101.33 12.14 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 178.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -102.65 177.22 4.92 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 175.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.95 93.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.941 0.4 . . . . 0.0 110.935 177.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 148.47 -75.93 0.26 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.558 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 23.1 ptp -148.14 168.03 23.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.737 0.303 . . . . 0.0 111.309 -177.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.433 ' HG ' ' HD2' ' A' ' 25' ' ' TYR . 11.9 m -87.89 123.18 32.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.457 176.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -124.96 105.79 9.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.658 0.266 . . . . 0.0 110.613 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -84.7 150.86 24.83 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 175.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 122.42 -103.64 0.85 Allowed Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 -177.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.1 t -153.26 143.58 22.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.834 0.35 . . . . 0.0 110.196 177.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 84.4 mt -130.37 136.74 49.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.352 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.58 101.6 9.99 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -83.04 107.3 15.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.489 -178.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.42 HD13 ' CD1' ' A' ' 43' ' ' TRP . 94.1 mt -103.33 155.4 36.81 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.688 176.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.469 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 52.8 Cg_exo -56.32 -23.73 47.78 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.775 2.317 . . . . 0.0 113.014 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -90.39 -53.91 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 0.0 111.132 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -150.79 159.05 44.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.84 0.353 . . . . 0.0 111.306 -176.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.9 t -90.59 113.64 26.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.924 176.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.42 ' CD1' HD13 ' A' ' 38' ' ' LEU . 98.1 m95 -106.24 160.52 15.28 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.915 0.388 . . . . 0.0 110.904 -178.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.56 132.13 11.06 Favored Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 175.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -103.17 132.48 49.4 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -93.47 63.12 3.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.355 0.598 . . . . 0.0 110.544 -173.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.51 HG12 ' HB3' ' A' ' 52' ' ' GLN . 78.3 t -137.71 137.04 45.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.747 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 28.2 m -91.51 -42.69 10.12 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.784 0.291 . . . . 0.0 111.784 -176.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.499 ' HE3' ' HB2' ' A' ' 51' ' ' GLU . 58.8 pttt -139.84 159.32 65.25 Favored Pre-proline 0 C--N 1.33 -0.266 0 O-C-N 122.278 -0.264 . . . . 0.0 111.19 -177.443 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.575 ' HB3' HG22 ' A' ' 75' ' ' THR . 39.8 Cg_exo -58.42 -27.23 81.0 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.097 2.532 . . . . 0.0 113.195 -179.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.499 ' HB2' ' HE3' ' A' ' 49' ' ' LYS . 48.9 mt-10 -76.58 -4.16 41.4 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.037 0.446 . . . . 0.0 111.13 -178.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.51 ' HB3' HG12 ' A' ' 47' ' ' VAL . 36.3 tt0 -97.68 8.51 44.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.447 0.641 . . . . 0.0 109.926 -178.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.461 HG21 HD22 ' A' ' 86' ' ' LEU . 74.1 mt -77.42 117.09 21.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.669 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -144.7 173.1 12.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.416 -178.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 76.4 mtm-85 -55.73 -37.07 67.97 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 122.558 0.343 . . . . 0.0 111.443 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -72.12 -33.1 67.54 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -177.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.8 p -85.64 -23.4 27.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.007 0.432 . . . . 0.0 110.426 178.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.404 HD13 HD23 ' A' ' 90' ' ' LEU . 91.9 mt -91.53 13.48 17.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.071 176.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -56.33 -38.1 70.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.674 0.273 . . . . 0.0 111.001 -178.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.6 -30.42 70.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.911 0.386 . . . . 0.0 110.604 177.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.6 t -72.26 -43.98 64.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.581 -179.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -70.82 -31.81 68.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.037 0.446 . . . . 0.0 110.836 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -78.06 -46.71 20.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.245 -178.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -94.76 26.72 3.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.209 0.528 . . . . 0.0 110.267 -176.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.89 -21.64 66.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.579 -174.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -70.96 -26.24 63.07 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.653 0.263 . . . . 0.0 111.669 -176.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -94.32 -6.92 43.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.434 -177.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 22.9 pt -120.81 114.87 45.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.612 0.72 . . . . 0.0 111.957 -176.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -91.05 -50.66 5.74 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.514 174.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.7 m -114.49 126.95 55.53 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.985 178.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -113.22 114.4 26.68 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.478 ' HA ' ' O ' ' A' ' 98' ' ' ASP . 58.0 mt -102.82 128.84 55.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.422 -179.072 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 62.8 t -111.72 124.23 68.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.36 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.456 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -93.97 95.36 1.93 Allowed Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 177.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.575 HG22 ' HB3' ' A' ' 50' ' ' PRO . 17.3 p -83.2 51.7 2.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.108 0.48 . . . . 0.0 112.141 -174.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.495 ' HA2' HG23 ' A' ' 126' ' ' VAL . . . 77.29 -128.48 8.99 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.756 177.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -110.28 18.63 19.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.988 0.423 . . . . 0.0 111.239 -176.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -150.63 162.64 40.28 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.3 t -94.47 96.56 6.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.008 0.433 . . . . 0.0 110.971 -177.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.532 ' O ' HG22 ' A' ' 99' ' ' THR . 81.1 t90 -80.29 121.41 25.62 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 175.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 7.8 tp -87.5 122.66 39.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.408 0.623 . . . . 0.0 110.72 -176.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.05 140.75 83.34 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.412 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_exo -56.76 146.17 79.1 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.562 2.174 . . . . 0.0 111.708 178.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -60.19 -37.78 81.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.884 -173.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -60.7 -40.52 92.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.89 0.376 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.461 HD22 HG21 ' A' ' 53' ' ' ILE . 58.0 tp -74.9 -37.42 62.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.838 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.56 ' HG3' HD21 ' A' ' 97' ' ' LEU . 8.1 ttp180 -67.79 -48.8 65.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.258 -178.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.78 -19.06 62.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.149 179.163 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.46 -45.25 84.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.842 0.353 . . . . 0.0 110.109 174.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.465 HD12 HD22 ' A' ' 97' ' ' LEU . 95.6 mt -66.67 -36.54 82.79 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.182 176.196 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -69.51 -20.19 63.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.596 178.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -59.3 -35.42 84.7 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.914 -0.585 . . . . 0.0 112.723 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -89.7 -85.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.993 177.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -160.0 14.05 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.861 0.362 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 58.8 t -95.15 114.07 30.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.927 0.394 . . . . 0.0 111.27 -172.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.9 t -87.95 109.68 19.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.608 174.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.56 HD21 ' HG3' ' A' ' 87' ' ' ARG . 55.7 tp -86.95 128.75 35.07 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.293 -176.335 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.478 ' O ' ' HA ' ' A' ' 72' ' ' ILE . 38.4 t70 -128.95 120.83 26.81 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.423 173.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.532 HG22 ' O ' ' A' ' 80' ' ' TRP . 12.0 m -105.29 130.57 53.39 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.435 -177.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.467 ' CG ' ' HB2' ' A' ' 104' ' ' PRO . 42.5 tpp -150.07 163.21 38.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.228 -175.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.432 ' HB2' ' HD2' ' A' ' 104' ' ' PRO . 58.3 mt-30 -66.24 152.46 44.83 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 173.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.428 ' O ' HG13 ' A' ' 106' ' ' ILE . 4.8 p -49.8 -49.55 48.31 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -175.324 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -53.79 -68.81 1.45 Allowed Glycine 0 CA--C 1.523 0.538 0 C-N-CA 121.312 -0.471 . . . . 0.0 113.201 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.467 ' HB2' ' CG ' ' A' ' 100' ' ' MET . 41.1 Cg_exo -57.9 -30.24 88.99 Favored 'Trans proline' 0 CA--C 1.532 0.401 0 C-N-CA 122.716 2.278 . . . . 0.0 113.008 178.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.44 -49.15 70.24 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.681 0.277 . . . . 0.0 110.722 178.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.474 HG23 HD12 ' A' ' 16' ' ' ILE . 84.0 mt -58.66 -43.31 87.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.182 177.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -58.39 -52.96 63.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.732 177.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 26.0 m -59.54 -42.79 93.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.755 -178.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -64.08 -48.87 74.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.195 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -63.95 -32.87 74.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.015 -175.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 81.8 mt -77.91 -44.18 28.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.993 0.425 . . . . 0.0 110.368 176.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.9 tpt -64.34 -36.66 84.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.24 -176.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.462 HD11 ' HA ' ' A' ' 117' ' ' ARG . 11.1 tp -68.45 -15.19 19.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.161 0.505 . . . . 0.0 110.59 -179.049 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -99.58 -5.52 55.45 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.049 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -111.62 -29.88 7.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.378 0.609 . . . . 0.0 110.632 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -163.36 90.39 0.65 Allowed 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -174.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.462 ' HA ' HD11 ' A' ' 113' ' ' ILE . 67.7 mtm-85 -64.92 74.92 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.419 178.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 24.2 mtt180 -156.75 29.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.142 178.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.1 p -126.64 146.64 32.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.331 -174.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -134.74 152.31 51.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.916 176.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -128.07 122.77 32.94 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.99 0.424 . . . . 0.0 111.412 -177.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -100.05 107.16 19.01 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.734 175.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.1 mt -100.0 124.4 45.32 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.992 0.425 . . . . 0.0 110.988 -176.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 62.2 mt -108.86 140.48 27.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.565 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -53.15 129.2 30.38 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -174.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.495 HG23 ' HA2' ' A' ' 76' ' ' GLY . 39.0 t . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.84 175.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -89.87 106.79 0.37 Allowed 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 123.182 2.588 . . . . 0.0 113.147 -173.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.544 ' HG2' ' O ' ' A' ' 39' ' ' PRO . 39.0 mtt85 63.15 25.83 15.04 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.075 171.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.0 t -90.33 128.91 36.57 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.264 0.554 . . . . 0.0 110.299 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.87 92.82 3.29 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.458 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.19 102.55 3.37 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.937 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.0 mm -98.16 109.9 24.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 175.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -86.06 -48.87 8.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.859 0.362 . . . . 0.0 110.902 -176.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.532 ' HB2' ' HB3' ' A' ' 25' ' ' TYR . . . -128.63 136.99 51.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.06 0.457 . . . . 0.0 110.692 177.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -139.32 139.97 37.42 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.9 -179.108 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 139.86 -91.61 0.19 Allowed Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.26 -0.971 . . . . 0.0 113.043 175.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -107.85 121.26 44.39 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.898 0.38 . . . . 0.0 111.344 -172.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.06 -3.76 28.6 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.475 178.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.721 ' HA2' ' HB3' ' A' ' 125' ' ' ALA . . . 115.31 -139.16 15.29 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -178.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -119.1 152.96 35.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.984 0.421 . . . . 0.0 110.188 175.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.532 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . 91.3 t80 -132.38 108.84 9.44 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.085 0.469 . . . . 0.0 110.542 178.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -113.57 177.13 4.74 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.109 173.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.26 91.82 0.99 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.048 0.451 . . . . 0.0 110.96 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 149.81 -78.18 0.22 Allowed Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.967 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 24.9 ttt -126.08 152.91 45.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.741 0.305 . . . . 0.0 110.984 -173.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.1 t -143.71 -167.92 2.71 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 34.9 m170 72.27 24.91 2.96 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.404 0.682 . . . . 0.0 111.505 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.445 ' HG3' HD21 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -117.91 151.58 37.13 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 176.184 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.404 ' HA2' ' CB ' ' A' ' 125' ' ' ALA . . . -114.61 8.23 22.15 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.402 -0.904 . . . . 0.0 113.258 -176.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.716 ' HB3' ' HB3' ' A' ' 45' ' ' TRP . 6.6 m -147.02 114.68 6.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 117.037 0.418 . . . . 0.0 110.805 -176.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.445 HD21 ' HG3' ' A' ' 32' ' ' GLN . 90.1 mt -135.55 137.24 41.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.91 0.386 . . . . 0.0 111.499 -178.468 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.1 mt -109.59 100.85 9.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.268 176.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.416 ' HB2' ' HB1' ' A' ' 121' ' ' ALA . 93.0 m-85 -90.85 92.56 8.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.861 0.362 . . . . 0.0 110.239 178.303 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.9 mt -96.31 158.56 33.71 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.917 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.544 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 12.2 Cg_exo -71.24 7.34 1.46 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.948 2.432 . . . . 0.0 112.362 179.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -122.69 -56.15 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.144 179.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -144.57 154.62 43.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.062 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.1 t -98.4 117.48 43.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.655 174.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -109.2 150.19 28.28 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.086 -176.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.13 127.95 8.46 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 110.764 -0.935 . . . . 0.0 110.764 173.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.716 ' HB3' ' HB3' ' A' ' 34' ' ' SER . 1.1 t90 -99.32 151.41 21.09 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -175.371 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -105.38 9.47 33.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 122.207 1.003 . . . . 0.0 110.386 -178.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.502 HG23 ' HB3' ' A' ' 57' ' ' SER . 86.8 t -96.24 95.01 4.46 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.347 -178.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.2 p -93.02 8.89 38.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.915 -176.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.493 ' HB2' ' HB2' ' A' ' 52' ' ' GLN . 97.8 mttt -130.53 132.42 23.97 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.716 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_exo -58.03 -33.37 97.18 Favored 'Trans proline' 0 CA--C 1.528 0.195 0 C-N-CA 122.931 2.421 . . . . 0.0 112.69 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -96.36 10.71 37.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.551 0.691 . . . . 0.0 110.834 -177.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.501 ' HB3' HG12 ' A' ' 47' ' ' VAL . 8.8 tt0 -95.39 7.29 46.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.856 0.836 . . . . 0.0 109.295 176.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 69.0 mt -76.37 103.98 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.127 177.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -126.9 169.88 12.82 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.745 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.97 -41.09 64.24 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 122.706 0.403 . . . . 0.0 110.451 177.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -66.55 -41.06 89.22 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.571 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.502 ' HB3' HG23 ' A' ' 47' ' ' VAL . 13.8 m -65.75 -24.65 67.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.587 178.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 88.5 mt -103.25 16.95 25.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.856 -178.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -58.92 -39.31 81.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.897 0.38 . . . . 0.0 110.753 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -69.34 -27.91 65.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.59 176.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.5 t -70.42 -37.3 70.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.37 179.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -65.29 -40.84 94.37 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.193 0.521 . . . . 0.0 110.009 174.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -69.15 -41.38 77.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.459 -177.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -96.5 17.55 15.97 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.152 -178.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.81 -16.05 62.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.026 -177.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -65.25 -31.6 72.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.898 0.38 . . . . 0.0 110.765 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.461 ' O ' ' HG2' ' A' ' 39' ' ' PRO . . . -96.55 -4.43 41.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.804 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 68.0 mt -107.62 111.12 34.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.118 0.485 . . . . 0.0 111.204 -175.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -99.03 -62.3 1.25 Allowed 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 171.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 58.5 m -104.73 116.17 31.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.828 178.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.0 tp -105.16 106.58 17.14 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.075 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 50.3 mt -94.54 117.61 38.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.579 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.493 HG23 ' HB3' ' A' ' 122' ' ' ALA . 59.4 t -107.34 129.29 61.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.797 -178.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -107.59 111.13 3.35 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 175.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.527 HG21 ' HB3' ' A' ' 80' ' ' TRP . 23.1 p -72.08 -35.93 69.38 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.971 0.415 . . . . 0.0 111.966 -175.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 149.26 -127.64 2.53 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.808 -0.71 . . . . 0.0 111.515 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.471 ' HB1' HG11 ' A' ' 126' ' ' VAL . . . -88.05 -47.6 8.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.397 0.618 . . . . 0.0 109.639 177.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -82.18 160.43 23.06 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.471 177.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 14.3 p -104.72 113.2 41.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.667 0.746 . . . . 0.0 110.316 -177.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.527 ' HB3' HG21 ' A' ' 75' ' ' THR . 64.8 t90 -99.05 124.62 44.18 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.143 -178.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.4 ' N ' HD13 ' A' ' 81' ' ' ILE . 3.2 mp -87.23 119.38 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.08 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.26 143.65 31.26 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.716 -178.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -61.97 131.5 35.24 Favored 'Trans proline' 0 C--O 1.24 0.586 0 C-N-CA 122.722 2.281 . . . . 0.0 111.944 177.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -58.41 -24.71 60.81 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.783 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -61.57 -34.29 75.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.937 0.398 . . . . 0.0 110.558 178.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.1 tp -73.54 -42.58 61.51 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 176.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.774 ' HG2' ' HB3' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -62.54 -38.53 90.38 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.031 176.74 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -68.93 -28.91 67.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.426 -177.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.87 -42.45 97.53 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 172.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.597 ' HB3' ' HB ' ' A' ' 95' ' ' VAL . 95.9 mt -72.29 -24.3 61.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.509 175.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.541 ' HD3' ' O ' ' A' ' 91' ' ' ARG . 0.1 OUTLIER -64.9 -30.75 71.77 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 177.172 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -56.67 -38.47 82.3 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.274 176.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.485 HG23 HG23 ' A' ' 95' ' ' VAL . 6.9 m -100.13 15.95 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.085 0.469 . . . . 0.0 110.723 177.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 64.01 29.64 14.26 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.199 -0.91 . . . . 0.0 112.599 173.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.597 ' HB ' ' HB3' ' A' ' 90' ' ' LEU . 74.9 t -86.24 118.61 32.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.065 0.459 . . . . 0.0 110.117 175.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 41.7 t -79.2 100.87 4.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 176.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.774 ' HB3' ' HG2' ' A' ' 87' ' ' ARG . 57.9 tp -89.62 121.93 32.27 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.5 -176.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -126.75 115.88 20.08 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.923 0.392 . . . . 0.0 110.028 177.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.5 m -97.8 123.06 41.59 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.766 -177.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 73.0 mtm -140.19 -175.75 4.36 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.079 177.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -86.16 162.48 18.34 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 175.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.1 p -54.54 -46.73 73.67 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -171.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -53.66 -67.07 2.33 Favored Glycine 0 CA--C 1.523 0.532 0 C-N-CA 121.34 -0.457 . . . . 0.0 113.277 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.55 -32.5 74.5 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.014 2.476 . . . . 0.0 113.089 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.18 -51.15 68.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.041 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 73.2 mt -62.39 -44.0 98.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -57.51 -52.36 65.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.453 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 15.9 m -65.5 -38.25 89.15 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.169 -177.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -63.62 -45.61 89.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.714 178.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -57.06 -44.92 83.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.542 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 72.5 mt -66.35 -47.78 83.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.01 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 90.6 mmm -66.77 -38.3 86.28 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -174.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 11.2 tp -69.52 -26.45 31.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-O 121.064 0.459 . . . . 0.0 110.406 -178.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.82 -46.99 8.08 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.959 177.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -61.72 -57.59 11.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.613 0.244 . . . . 0.0 111.027 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 76.6 mtt180 -132.83 -104.02 0.25 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.862 0.363 . . . . 0.0 110.521 178.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 176.79 -155.55 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 -175.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 19.4 mmt85 62.6 22.09 13.09 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.448 0.642 . . . . 0.0 111.338 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.449 ' O ' ' HG3' ' A' ' 39' ' ' PRO . 7.1 p -116.37 131.02 70.15 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.606 178.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -122.96 145.11 48.77 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.396 -178.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.416 ' HB1' ' HB2' ' A' ' 37' ' ' PHE . . . -119.17 111.93 18.87 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.01 0.433 . . . . 0.0 111.047 -179.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.493 ' HB3' HG23 ' A' ' 73' ' ' VAL . . . -94.18 99.0 11.35 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 173.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 98.3 mt -108.89 115.93 31.03 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.062 0.458 . . . . 0.0 111.814 -170.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 67.3 mt -98.85 126.19 52.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 170.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.721 ' HB3' ' HA2' ' A' ' 23' ' ' GLY . . . -65.83 148.45 51.76 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.662 -174.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.471 HG11 ' HB1' ' A' ' 77' ' ' ALA . 94.0 t . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.691 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.436 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 41.2 m-85 . . . . . 0 N--CA 1.448 -0.54 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 10' ' ' PHE . 7.4 Cg_exo -72.69 77.42 2.23 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 123.081 2.521 . . . . 0.0 112.697 -176.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 56.68 76.32 0.31 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.265 177.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.1 t -96.7 133.35 41.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.571 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -107.77 -14.4 14.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.534 0.683 . . . . 0.0 110.183 177.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.57 102.74 15.39 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.067 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.5 mt -107.58 125.67 63.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.108 175.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -85.59 -58.3 2.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.709 0.29 . . . . 0.0 111.502 -173.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.89 144.96 39.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.89 0.376 . . . . 0.0 111.019 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -149.15 156.04 41.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.357 177.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.67 -56.15 4.68 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.027 -0.606 . . . . 0.0 113.24 175.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -51.94 -65.43 0.56 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.011 0.434 . . . . 0.0 111.421 -176.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -121.51 39.71 2.29 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 177.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.645 ' HA2' ' OE1' ' A' ' 32' ' ' GLN . . . 91.23 -168.5 32.39 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -175.104 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -83.15 110.77 18.32 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 174.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.578 ' HA ' ' O ' ' A' ' 29' ' ' MET . 55.0 t80 -111.95 98.78 7.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.193 0.521 . . . . 0.0 110.366 -178.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -142.53 137.28 30.06 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.162 173.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 66.98 13.54 9.51 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.727 0.642 . . . . 0.0 111.215 -177.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.24 -9.53 61.21 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.939 -0.648 . . . . 0.0 113.573 176.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.578 ' O ' ' HA ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -88.06 165.03 15.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.153 0.476 . . . . 0.0 110.649 -178.55 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.501 ' OG ' ' HD2' ' A' ' 25' ' ' TYR . 67.8 m -151.53 138.86 19.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.503 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -173.97 137.7 0.58 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.488 176.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.645 ' OE1' ' HA2' ' A' ' 23' ' ' GLY . 10.1 mm100 -94.31 107.01 18.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.056 0.455 . . . . 0.0 109.826 173.156 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.11 -164.72 31.29 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 -178.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.648 ' HB2' ' O ' ' A' ' 45' ' ' TRP . 5.3 m -111.22 131.96 54.71 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 117.172 0.486 . . . . 0.0 110.579 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 96.0 mt -122.03 146.51 47.1 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.602 -177.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.7 111.76 22.35 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -92.17 101.54 14.05 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.126 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.479 ' C ' ' H ' ' A' ' 40' ' ' ASP . 94.5 mt -89.9 159.44 42.98 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.871 178.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -68.45 16.88 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.109 2.539 . . . . 0.0 113.058 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.479 ' H ' ' C ' ' A' ' 38' ' ' LEU . 23.9 m-20 -135.54 -53.27 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.66 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -150.28 159.58 44.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.651 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.1 t -89.96 132.02 35.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.264 177.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 79.1 m95 -124.81 159.21 31.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.599 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.63 130.82 10.18 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.807 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.648 ' O ' ' HB2' ' A' ' 34' ' ' SER . 27.0 t90 -136.49 76.91 1.62 Allowed 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 -178.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -74.43 97.65 3.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.204 -169.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 57.3 t -128.23 96.03 3.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.277 -0.874 . . . . 0.0 108.689 173.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.3 m -59.44 -46.97 87.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.091 -174.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -117.18 127.1 26.93 Favored Pre-proline 0 C--N 1.325 -0.489 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.528 178.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.76 -8.09 20.26 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 123.4 2.733 . . . . 0.0 113.601 -174.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -67.58 -22.96 65.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.093 0.473 . . . . 0.0 110.458 178.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -92.52 24.62 3.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.686 -177.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 71.1 mt -76.01 103.09 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 172.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -136.22 -165.61 1.74 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.666 -174.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 35.8 mtm180 -73.42 -29.11 62.36 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.531 0.197 . . . . 0.0 111.531 -177.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -71.69 -45.32 62.22 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 120.953 0.406 . . . . 0.0 110.555 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.2 p -70.82 -35.24 72.4 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.931 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 88.2 mt -85.45 8.57 18.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.264 178.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -54.53 -41.68 69.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.984 0.421 . . . . 0.0 110.456 177.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -67.19 -30.65 70.65 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.458 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.6 t -71.34 -45.89 67.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.445 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -67.64 -33.15 74.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.767 177.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -72.73 -47.78 44.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.146 -178.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -94.62 23.82 5.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.41 0.624 . . . . 0.0 110.248 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.3 -12.71 54.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.764 -177.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -68.27 -25.13 65.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.925 0.393 . . . . 0.0 110.306 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -114.26 0.18 14.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.052 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.1 mt -112.76 97.96 6.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.077 0.465 . . . . 0.0 110.744 -177.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.957 ' HB3' ' HB3' ' A' ' 118' ' ' ARG . 0.7 OUTLIER -102.36 -34.83 9.04 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.947 176.872 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.491 ' O ' ' HA ' ' A' ' 119' ' ' VAL . 10.1 m -121.0 128.74 52.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.492 177.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 57.7 tp -129.85 111.84 12.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.995 0.426 . . . . 0.0 110.92 -177.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 59.6 mt -104.8 114.35 44.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.613 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.0 t -101.42 115.54 43.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.554 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.458 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -100.2 100.3 2.16 Favored Glycine 0 N--CA 1.443 -0.883 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 176.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.513 ' HA ' HD11 ' A' ' 124' ' ' ILE . 68.2 p -80.3 43.83 0.66 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.299 0.571 . . . . 0.0 111.775 -172.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.31 -111.21 3.66 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 111.696 -0.562 . . . . 0.0 111.696 -178.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -119.75 -15.86 8.84 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.127 0.489 . . . . 0.0 110.234 176.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -94.41 90.61 6.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.427 -179.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.447 ' HA ' ' OG1' ' A' ' 75' ' ' THR . 7.3 p -67.57 124.98 24.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.362 0.601 . . . . 0.0 111.785 -173.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 43.8 t90 -110.8 117.85 34.54 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.003 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 66.9 mt -87.83 120.22 36.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.244 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.36 135.04 76.13 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.238 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -60.49 158.93 29.61 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.94 2.427 . . . . 0.0 111.994 177.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 38.1 mtm-85 -61.57 -35.14 76.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.323 -175.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -65.87 -39.02 90.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.78 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.1 tp -73.93 -39.69 63.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.148 0.499 . . . . 0.0 110.014 178.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -60.8 -42.55 97.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.608 177.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -69.4 -35.32 75.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.11 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.96 -51.43 69.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.138 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.703 HD13 HD21 ' A' ' 97' ' ' LEU . 70.0 mt -69.64 -33.01 72.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.695 177.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -61.25 -30.91 70.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.29 -31.22 79.8 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 121.189 -0.529 . . . . 0.0 112.216 178.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.467 ' HB ' HG22 ' A' ' 95' ' ' VAL . 5.2 t -89.2 5.03 4.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.527 0.679 . . . . 0.0 109.383 176.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' ' 93' ' ' VAL . 9.3 m120 71.71 13.4 6.23 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 114.823 -1.08 . . . . 0.0 111.623 -179.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.485 ' HB ' ' HB3' ' A' ' 90' ' ' LEU . 56.0 t -76.23 110.13 11.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.041 0.448 . . . . 0.0 109.821 177.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.6 t -77.5 96.53 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.993 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.703 HD21 HD13 ' A' ' 90' ' ' LEU . 48.1 tp -90.22 138.26 31.67 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.174 -179.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -139.12 142.48 38.07 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 172.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.8 p -106.17 109.37 21.29 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -175.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.458 ' O ' ' HA2' ' A' ' 74' ' ' GLY . 21.1 mmt -132.56 -177.51 4.51 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.26 0.552 . . . . 0.0 111.577 -174.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -103.5 161.81 13.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.465 -0.788 . . . . 0.0 108.968 172.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.503 ' O ' HG13 ' A' ' 106' ' ' ILE . 7.5 p -52.43 -62.41 1.66 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -171.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -46.88 -64.23 2.8 Favored Glycine 0 CA--C 1.523 0.579 0 O-C-N 123.476 0.485 . . . . 0.0 113.914 -177.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.4 -36.78 94.65 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.772 2.315 . . . . 0.0 112.936 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.2 -42.63 75.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.431 -177.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 102' ' ' THR . 79.1 mt -59.8 -49.77 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-O 120.917 0.389 . . . . 0.0 110.742 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -61.46 -43.57 98.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.714 -178.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 33.0 m -64.48 -42.35 95.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.651 178.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -59.22 -43.01 92.32 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.985 178.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -62.5 -33.94 75.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.283 -179.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 54.4 mt -72.94 -42.82 60.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.905 0.383 . . . . 0.0 110.837 175.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 57.1 mtt -72.27 -30.19 64.6 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -175.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 10.9 tp -67.43 -8.47 8.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 CA-C-O 121.231 0.539 . . . . 0.0 110.959 -178.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -121.26 25.11 7.13 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.998 -0.62 . . . . 0.0 111.886 175.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -148.77 -36.15 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.969 0.414 . . . . 0.0 111.162 -177.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -145.05 79.07 1.58 Allowed 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -74.32 60.98 0.86 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.496 -175.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.957 ' HB3' ' HB3' ' A' ' 69' ' ' ASP . 79.0 mtt180 -135.2 14.78 3.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.244 175.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.491 ' HA ' ' O ' ' A' ' 70' ' ' THR . 7.4 p -107.34 134.01 50.35 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-N 114.847 -1.069 . . . . 0.0 111.963 -169.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -118.38 147.66 43.31 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.267 173.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -120.44 123.63 43.46 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.981 0.419 . . . . 0.0 111.477 -175.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -108.0 115.33 29.94 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 176.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 90.1 mt -114.38 123.31 49.15 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.922 0.392 . . . . 0.0 111.31 -175.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.513 HD11 ' HA ' ' A' ' 75' ' ' THR . 62.0 mt -94.58 148.5 4.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.053 177.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -45.44 140.55 3.08 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.367 -179.559 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.817 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 94.6 m-85 . . . . . 0 CA--C 1.527 0.08 0 CA-C-O 120.798 0.332 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 10' ' ' PHE . 4.3 Cg_exo -82.0 40.87 1.03 Allowed 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 123.661 2.908 . . . . 0.0 113.315 -175.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 68.48 104.74 0.05 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.358 0.599 . . . . 0.0 111.294 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.7 m -137.89 117.75 13.25 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.768 178.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -121.56 11.69 10.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.011 0.434 . . . . 0.0 110.73 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.18 115.66 28.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.347 -176.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.479 HD12 HG21 ' A' ' 106' ' ' ILE . 73.0 mt -107.75 126.86 64.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.633 178.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -83.57 -55.68 4.15 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.511 -170.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -139.21 150.25 45.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.013 0.435 . . . . 0.0 111.28 -176.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.454 ' HH ' ' HB ' ' A' ' 102' ' ' THR . 42.9 t80 -127.16 118.51 24.48 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.991 177.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 160.68 -105.56 0.27 Allowed Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.43 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -67.81 127.57 33.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.8 0.333 . . . . 0.0 110.724 -178.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.36 -5.49 80.78 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.904 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.19 -84.96 1.19 Allowed Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.65 -178.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -120.34 136.2 54.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.738 0.304 . . . . 0.0 110.75 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.422 ' CD1' ' HB2' ' A' ' 30' ' ' SER . 21.0 t80 -133.28 125.82 30.11 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 174.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -139.2 177.39 7.94 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.789 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.49 90.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.455 0.472 . . . . 0.0 110.26 177.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 150.59 -76.58 0.24 Allowed Glycine 0 N--CA 1.442 -0.915 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.942 -177.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -147.69 176.08 10.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.906 0.384 . . . . 0.0 111.656 -175.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.422 ' HB2' ' CD1' ' A' ' 25' ' ' TYR . 31.3 t -129.99 141.26 50.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.4 176.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 -167.72 154.11 7.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.617 0.246 . . . . 0.0 110.837 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.15 -163.18 0.8 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 175.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.71 -147.27 19.77 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.71 -0.757 . . . . 0.0 111.836 178.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.513 ' HB3' ' HE3' ' A' ' 45' ' ' TRP . 46.3 m -126.0 140.66 52.43 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.823 0.344 . . . . 0.0 110.229 178.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 97.7 mt -120.66 138.12 54.1 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.69 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.803 ' HG ' ' HB2' ' A' ' 45' ' ' TRP . 79.9 mt -99.83 96.43 7.58 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.88 178.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.41 ' HB2' ' HB1' ' A' ' 121' ' ' ALA . 84.4 m-85 -85.23 92.1 8.33 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.453 HD22 ' HB3' ' A' ' 120' ' ' ALA . 79.0 mt -102.34 156.82 34.78 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 115.239 -0.892 . . . . 0.0 109.678 -179.242 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -62.8 -11.89 26.31 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.516 2.144 . . . . 0.0 111.886 176.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -90.65 -57.56 2.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.061 177.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.817 ' HB3' ' HB2' ' A' ' 10' ' ' PHE . . . -161.82 172.9 15.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.015 -176.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.7 t -91.78 101.28 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.38 176.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -99.33 153.58 18.86 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.484 -177.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.36 126.55 8.29 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.034 -178.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.803 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 3.6 t90 -106.18 106.9 17.64 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.503 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -78.32 73.38 4.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.471 0.653 . . . . 0.0 110.892 -175.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 99.5 t -139.92 128.25 26.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.216 176.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.3 m -105.76 -7.26 18.46 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.125 0.488 . . . . 0.0 111.202 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -123.15 117.31 28.3 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.269 -176.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -62.75 -22.37 73.84 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.507 2.138 . . . . 0.0 111.685 175.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -70.83 -21.05 62.5 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.692 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -98.5 20.0 13.54 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.811 -173.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.433 HD11 HD13 ' A' ' 124' ' ' ILE . 70.7 mt -75.99 113.21 14.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 174.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -144.75 -173.28 4.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.502 -175.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 33.7 mtp-105 -65.37 -36.6 84.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.25 -177.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -69.73 -43.75 71.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.785 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.1 p -73.67 -28.57 61.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.345 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.4 HD13 HD12 ' A' ' 86' ' ' LEU . 84.7 mt -89.13 14.99 9.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.523 179.277 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -54.76 -37.05 65.5 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.101 0.477 . . . . 0.0 110.605 178.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.602 ' HA ' ' HE ' ' A' ' 60' ' ' ARG . 1.0 OUTLIER -63.76 -30.03 71.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.611 -179.284 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.2 t -74.38 -37.88 45.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.241 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -61.37 -36.92 81.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.535 176.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -55.13 -58.72 6.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.389 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -96.13 18.23 14.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.126 -172.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.19 -22.47 61.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.971 0.415 . . . . 0.0 111.814 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -69.93 -15.74 63.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 178.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -118.77 4.61 11.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.668 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.2 mt -116.5 111.13 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.221 0.534 . . . . 0.0 110.517 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.915 ' HB2' ' HD3' ' A' ' 118' ' ' ARG . 12.2 t70 -95.62 -55.71 2.93 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.364 177.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.0 m -110.82 130.97 55.43 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.166 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.516 HD21 HD12 ' A' ' 97' ' ' LEU . 62.7 tp -119.36 114.37 22.24 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.883 0.373 . . . . 0.0 110.384 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 72.9 mt -95.81 121.97 46.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.006 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 96.2 t -106.42 121.89 59.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.719 0.295 . . . . 0.0 110.57 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -101.36 91.31 0.92 Allowed Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.827 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 100' ' ' MET . 3.6 t -79.09 130.09 35.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.154 0.502 . . . . 0.0 110.775 -178.396 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -96.48 161.23 22.14 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.71 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.538 ' H ' HG13 ' A' ' 126' ' ' VAL . . . 75.86 -43.51 0.48 Allowed 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.187 0.995 . . . . 0.0 111.322 178.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -163.26 -175.28 4.19 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 42.3 t -97.96 102.76 13.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.831 0.348 . . . . 0.0 110.58 -177.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.414 ' CH2' ' HB ' ' A' ' 53' ' ' ILE . 85.8 t90 -88.03 123.18 32.46 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 174.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.1 mp -96.14 121.24 46.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.075 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.74 127.24 92.33 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.583 177.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.66 154.86 23.83 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.187 2.591 . . . . 0.0 111.989 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.1 ptt85 -62.47 -38.9 91.64 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.03 -174.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -59.09 -46.12 89.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.777 0.322 . . . . 0.0 111.271 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.4 HD12 HD13 ' A' ' 58' ' ' LEU . 66.6 tp -63.8 -39.35 94.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.204 0.526 . . . . 0.0 110.11 178.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 87' ' ' ARG . 12.8 ttm180 -70.72 -44.15 67.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.994 -177.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -68.1 -30.83 70.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.052 -178.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.55 -48.79 71.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.057 0.456 . . . . 0.0 110.287 176.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.9 mt -67.44 -38.47 84.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.622 177.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.424 ' HA ' ' HD2' ' A' ' 91' ' ' ARG . 8.5 tpt180 -63.94 -26.3 68.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.639 179.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -63.92 -24.46 68.45 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.963 -0.637 . . . . 0.0 111.858 175.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.417 ' HB ' HG21 ' A' ' 95' ' ' VAL . 4.4 t -99.09 7.13 8.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.306 0.574 . . . . 0.0 109.541 176.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 68.73 20.24 8.22 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.56 -178.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.417 HG21 ' HB ' ' A' ' 93' ' ' VAL . 53.6 t -84.15 106.85 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 175.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.3 t -83.6 90.87 2.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.567 -177.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.516 HD12 HD21 ' A' ' 71' ' ' LEU . 9.9 tt -84.13 126.68 33.33 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.911 177.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -133.8 126.32 30.34 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 176.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.7 t -110.49 138.1 47.32 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.124 0.488 . . . . 0.0 111.551 -173.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.425 ' O ' HG22 ' A' ' 75' ' ' THR . 1.5 pmm? -154.53 177.9 10.68 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 176.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -61.63 148.86 41.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.571 0.225 . . . . 0.0 110.748 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.454 ' HB ' ' HH ' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -51.66 -40.11 59.42 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -175.708 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -57.66 -67.1 2.38 Favored Glycine 0 CA--C 1.523 0.552 0 C-N-CA 121.181 -0.533 . . . . 0.0 112.837 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.43 -30.69 64.92 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.799 2.332 . . . . 0.0 112.929 176.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.25 -48.28 80.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.697 0.284 . . . . 0.0 111.097 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.479 HG21 HD12 ' A' ' 16' ' ' ILE . 76.5 mt -61.23 -39.08 81.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-O 121.361 0.601 . . . . 0.0 110.175 177.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -60.81 -57.9 10.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.049 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 83.5 m -60.59 -36.83 79.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.395 -178.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -61.96 -43.24 99.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.815 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -61.01 -39.71 90.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.756 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 74.4 mt -65.17 -43.69 95.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.903 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.907 ' HE1' ' HA ' ' A' ' 112' ' ' MET . 10.4 mmt -66.76 -43.42 84.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.322 -179.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 37.3 mm -64.65 -33.24 61.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.11 0.481 . . . . 0.0 110.283 177.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -84.69 16.7 34.64 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.422 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -121.63 -61.06 1.55 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -140.42 -102.66 0.15 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.093 0.473 . . . . 0.0 111.322 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 176.73 -161.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -175.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.915 ' HD3' ' HB2' ' A' ' 69' ' ' ASP . 15.4 ttt-85 65.69 25.88 11.48 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.477 0.656 . . . . 0.0 109.807 178.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.4 HG13 ' HB3' ' A' ' 112' ' ' MET . 7.2 p -128.06 139.86 50.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.551 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.453 ' HB3' HD22 ' A' ' 38' ' ' LEU . . . -130.78 156.89 44.22 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.465 -178.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.41 ' HB1' ' HB2' ' A' ' 37' ' ' PHE . . . -129.04 121.32 27.65 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.05 0.453 . . . . 0.0 111.443 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -100.45 95.97 7.09 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 173.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 86.0 mt -103.18 130.62 50.42 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 -172.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.433 HD13 HD11 ' A' ' 53' ' ' ILE . 56.7 mt -113.56 133.98 57.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.195 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.03 154.86 40.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.223 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.538 HG13 ' H ' ' A' ' 77' ' ' ALA . 15.3 m . . . . . 0 C--N 1.321 -0.638 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.492 -177.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.496 ' HZ ' ' HG3' ' A' ' 29' ' ' MET . 89.7 m-85 . . . . . 0 N--CA 1.455 -0.192 0 CA-C-O 120.576 0.227 . . . . 0.0 110.577 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -79.34 70.56 7.45 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.582 2.188 . . . . 0.0 112.3 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? 62.76 96.86 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.863 -178.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.2 t -139.36 138.42 36.6 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.023 175.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -146.66 19.69 1.31 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.988 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.52 102.11 14.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.695 -177.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 70.6 mt -102.8 111.72 33.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.563 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -75.65 -44.56 41.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.649 -177.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -162.31 168.29 22.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.616 179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -149.14 157.68 43.58 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 175.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 154.89 -115.54 0.67 Allowed Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.154 -1.022 . . . . 0.0 112.699 176.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -69.68 104.55 2.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.905 0.384 . . . . 0.0 110.162 -176.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.448 ' O ' ' HA ' ' A' ' 31' ' ' HIS . . . 110.7 -9.05 30.08 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.043 176.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.24 -144.27 18.0 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.301 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -95.81 149.23 21.75 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.189 0.519 . . . . 0.0 111.408 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -119.05 105.74 11.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.107 176.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -142.15 177.14 8.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.415 -177.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.05 127.23 31.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.984 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.45 -67.06 0.25 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.256 178.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.496 ' HG3' ' HZ ' ' A' ' 10' ' ' PHE . 64.1 mtt -124.65 163.18 22.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.199 0.523 . . . . 0.0 111.104 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.8 m -154.27 173.13 16.56 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 176.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.448 ' HA ' ' O ' ' A' ' 22' ' ' GLY . 40.6 t-80 68.05 26.0 7.39 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.634 0.73 . . . . 0.0 110.187 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.444 ' HB3' HD22 ' A' ' 35' ' ' LEU . 16.6 mm-40 -101.11 124.3 46.6 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.351 177.261 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.44 -57.68 2.3 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.75 -174.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.0 m -114.73 119.97 38.49 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.11 0.481 . . . . 0.0 110.303 -177.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.444 HD22 ' HB3' ' A' ' 32' ' ' GLN . 96.4 mt -129.15 145.71 51.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.114 0.483 . . . . 0.0 111.535 -175.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.746 ' HB2' ' HB2' ' A' ' 45' ' ' TRP . 1.6 tt -110.28 101.16 9.92 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 175.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -80.54 112.34 17.8 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.46 -178.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.518 HD12 ' CD1' ' A' ' 43' ' ' TRP . 65.8 mt -104.57 155.85 36.77 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 109.695 -0.484 . . . . 0.0 109.695 176.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -61.4 -11.54 20.08 Favored 'Trans proline' 0 CA--C 1.532 0.382 0 C-N-CA 122.946 2.43 . . . . 0.0 113.581 -177.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -103.32 -39.21 6.9 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.766 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -164.12 168.44 19.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.042 0.448 . . . . 0.0 111.023 -176.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.5 t -93.79 122.34 45.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.657 177.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.518 ' CD1' HD12 ' A' ' 38' ' ' LEU . 62.2 m95 -109.78 150.99 27.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.887 0.375 . . . . 0.0 110.655 -178.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.01 125.42 6.86 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.446 178.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.746 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 23.2 t90 -127.1 85.85 2.42 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -177.068 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -76.82 80.22 3.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.358 0.599 . . . . 0.0 111.636 -170.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.5 t -131.37 107.52 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.01 173.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.7 m -81.55 -31.39 32.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.03 -173.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.9 mttm -100.9 124.32 42.3 Favored Pre-proline 0 C--N 1.326 -0.437 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -178.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -66.78 -19.22 53.3 Favored 'Trans proline' 0 CA--C 1.527 0.157 0 C-N-CA 122.293 1.996 . . . . 0.0 110.864 171.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -79.39 -12.37 59.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.102 -0.953 . . . . 0.0 110.081 178.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.41 ' O ' ' HG2' ' A' ' 52' ' ' GLN . 33.6 tt0 -97.85 16.22 21.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.761 -171.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 65.0 mt -83.13 114.77 24.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.135 0.493 . . . . 0.0 111.084 -177.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.455 ' CG ' ' H ' ' A' ' 55' ' ' ARG . 21.2 t70 -146.51 -169.63 3.32 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.455 ' H ' ' CG ' ' A' ' 54' ' ' ASP . 7.4 mmm180 -56.06 -38.35 70.51 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.959 0.409 . . . . 0.0 110.844 177.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -58.4 -38.41 77.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.946 178.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.18 -36.82 22.56 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.099 -177.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.492 HD11 HD22 ' A' ' 90' ' ' LEU . 87.7 mt -97.46 15.36 23.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.528 -175.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -60.06 -42.13 93.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.155 0.502 . . . . 0.0 110.009 -179.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -68.01 -28.91 67.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.726 177.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.445 HG21 HD21 ' A' ' 58' ' ' LEU . 84.1 t -68.59 -49.69 62.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.634 -178.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -63.93 -36.11 82.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.093 0.473 . . . . 0.0 110.535 177.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.66 -33.41 75.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.624 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -108.55 13.05 25.6 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.356 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.86 -14.74 62.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.141 0.496 . . . . 0.0 111.11 -178.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -67.71 -15.73 63.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.99 177.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -117.56 13.31 14.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.121 0.486 . . . . 0.0 110.512 178.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.6 mt -121.0 143.14 34.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.035 -175.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -123.75 -53.36 1.77 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.284 171.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.468 ' HA ' ' HB ' ' A' ' 96' ' ' VAL . 27.8 m -108.78 126.39 52.98 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.076 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.472 HD22 ' HB2' ' A' ' 120' ' ' ALA . 0.8 OUTLIER -110.24 112.55 24.59 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.534 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.49 ' HA ' ' O ' ' A' ' 98' ' ' ASP . 64.2 mt -100.04 128.57 51.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.157 -179.368 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.441 HG12 HG23 ' A' ' 75' ' ' THR . 39.0 t -116.81 120.06 63.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.514 -179.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -100.42 93.59 1.22 Allowed Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 176.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.544 HG22 ' HB3' ' A' ' 80' ' ' TRP . 22.4 p -82.89 55.26 3.0 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.14 0.495 . . . . 0.0 112.062 -173.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 77.47 -140.54 24.55 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.324 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.64 7.6 45.18 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.187 0.518 . . . . 0.0 110.701 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -127.4 163.38 24.16 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.885 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.662 HG12 ' HA ' ' A' ' 100' ' ' MET . 41.4 t -103.59 98.95 7.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.011 0.434 . . . . 0.0 109.861 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.544 ' HB3' HG22 ' A' ' 75' ' ' THR . 66.7 t90 -86.7 124.61 33.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.622 -176.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 68.7 mt -89.01 111.63 23.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.568 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.63 133.1 91.47 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.304 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -63.22 156.32 56.22 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.04 2.493 . . . . 0.0 112.094 178.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -52.46 -38.22 58.81 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.659 -178.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -51.47 -58.68 5.6 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.145 0.498 . . . . 0.0 111.151 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.448 HD11 HD12 ' A' ' 58' ' ' LEU . 37.6 tp -71.23 -40.9 70.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.804 -178.026 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -61.04 -44.87 96.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.31 -177.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -66.39 -39.33 88.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.47 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.58 -45.11 92.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.879 178.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.492 HD22 HD11 ' A' ' 58' ' ' LEU . 87.4 mt -70.11 -49.33 51.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.604 -179.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -74.3 -10.72 59.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.876 0.37 . . . . 0.0 111.0 -174.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.15 -26.11 70.14 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.044 -0.598 . . . . 0.0 111.84 174.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.662 ' HB ' HG23 ' A' ' 95' ' ' VAL . 6.3 t -97.87 7.64 8.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-O 121.507 0.67 . . . . 0.0 109.388 176.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.1 t30 66.62 23.92 10.22 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.359 -178.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.662 HG23 ' HB ' ' A' ' 93' ' ' VAL . 60.7 t -73.5 119.81 21.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.678 176.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.468 ' HB ' ' HA ' ' A' ' 70' ' ' THR . 46.3 t -71.75 110.31 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.577 -178.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 61.3 tp -91.63 114.48 27.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.559 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.49 ' O ' ' HA ' ' A' ' 72' ' ' ILE . 17.4 t70 -119.96 101.45 7.87 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.416 HG23 ' HB ' ' A' ' 73' ' ' VAL . 17.7 m -113.27 136.44 52.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.099 -176.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.662 ' HA ' HG12 ' A' ' 79' ' ' VAL . 22.7 ptp -166.63 -172.34 2.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.701 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -69.94 147.47 50.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.053 176.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.509 ' O ' HG13 ' A' ' 106' ' ' ILE . 81.6 m -53.45 -44.26 68.74 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.343 0.498 . . . . 0.0 112.343 -177.079 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -52.72 -66.61 2.56 Favored Glycine 0 CA--C 1.525 0.707 0 C-N-CA 121.156 -0.545 . . . . 0.0 113.038 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.6 -33.88 88.35 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.641 2.227 . . . . 0.0 112.521 175.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.05 -41.78 99.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.923 179.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 102' ' ' THR . 78.6 mt -59.23 -49.42 83.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.532 177.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 67.1 mtt-85 -59.3 -48.03 83.15 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.817 0.341 . . . . 0.0 110.621 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 36.8 m -61.92 -49.44 76.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.32 -178.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -61.44 -44.9 96.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.673 -0.239 . . . . 0.0 110.98 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -56.25 -40.97 75.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.148 -178.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 69.1 mt -75.81 -44.41 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.639 178.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 76.8 mmm -60.21 -47.3 86.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.818 -178.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.507 HD13 ' HA ' ' A' ' 117' ' ' ARG . 11.4 tp -71.79 -22.95 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.995 0.426 . . . . 0.0 110.601 -177.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.08 -33.07 41.92 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.36 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -101.87 -68.86 0.8 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -177.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -85.75 -36.33 20.22 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -171.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.507 ' HA ' HD13 ' A' ' 113' ' ' ILE . 98.7 mtt180 66.11 -164.03 0.24 Allowed 'General case' 0 N--CA 1.463 0.203 0 O-C-N 123.611 0.569 . . . . 0.0 110.237 -175.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 56.95 32.4 21.5 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 122.386 1.089 . . . . 0.0 110.162 -178.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.01 133.71 68.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 114.836 -1.074 . . . . 0.0 109.544 178.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.472 ' HB2' HD22 ' A' ' 71' ' ' LEU . . . -116.95 136.72 52.73 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.944 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -119.47 114.74 22.75 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.083 0.468 . . . . 0.0 111.625 -176.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -95.71 99.21 11.08 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 174.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 85.8 mt -108.6 130.95 55.31 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.941 -174.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 63.0 mt -116.58 119.56 62.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.11 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -79.27 172.81 13.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.84 0.353 . . . . 0.0 110.983 178.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 28.1 m . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.439 -178.04 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.455 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 91.9 m-85 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 10' ' ' PHE . 11.5 Cg_exo -71.22 56.83 2.1 Favored 'Trans proline' 0 N--CA 1.474 0.379 0 C-N-CA 123.712 2.942 . . . . 0.0 114.06 -171.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.496 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 71.6 mtt180 49.08 65.93 1.24 Allowed 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 123.092 0.557 . . . . 0.0 112.036 176.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.548 HG21 ' HB2' ' A' ' 26' ' ' PHE . 23.5 m -90.19 103.36 16.05 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.336 -179.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -106.94 10.67 30.43 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.09 178.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -120.73 104.94 10.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.543 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 72.0 mt -99.94 133.95 41.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 176.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.28 -36.33 10.93 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.746 0.308 . . . . 0.0 111.648 -176.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -142.16 123.61 14.88 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -177.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.7 p90 -105.88 120.2 41.14 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 169.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.22 -150.76 19.79 Favored Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 109.963 -1.255 . . . . 0.0 109.963 -171.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt 68.96 -61.92 0.41 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 122.831 0.452 . . . . 0.0 111.321 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -142.62 8.91 2.33 Favored Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 174.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.463 ' HA3' ' HA ' ' A' ' 32' ' ' GLN . . . 131.13 -107.62 0.76 Allowed Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.349 -0.701 . . . . 0.0 111.349 -177.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -128.18 126.87 41.88 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 173.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -111.7 103.43 11.72 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.252 0.548 . . . . 0.0 109.858 174.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.548 ' HB2' HG21 ' A' ' 13' ' ' THR . 33.6 p90 -120.24 177.17 5.12 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 176.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.68 102.32 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.056 0.455 . . . . 0.0 110.981 177.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.2 -103.08 0.3 Allowed Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.402 -174.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 48.8 ttm -147.77 157.73 43.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.938 0.369 . . . . 0.0 110.311 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.45 126.58 29.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.067 0.461 . . . . 0.0 111.197 177.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 63.0 t-80 -140.91 112.42 7.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.172 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.463 ' HA ' ' HA3' ' A' ' 23' ' ' GLY . 4.0 pt20 -70.7 166.68 20.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.611 0.243 . . . . 0.0 110.615 177.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 116.41 -127.56 7.55 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.77 -0.728 . . . . 0.0 111.807 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.447 ' OG ' ' HB3' ' A' ' 45' ' ' TRP . 13.8 p -147.99 155.49 41.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.745 0.307 . . . . 0.0 110.523 178.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 96.3 mt -135.06 151.66 50.96 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.823 -178.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.1 mt -111.48 102.08 10.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.124 178.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.403 ' HB3' ' CZ ' ' A' ' 109' ' ' TYR . 93.5 m-85 -91.85 96.48 10.42 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.118 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.559 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 56.3 mt -84.74 162.49 50.05 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -179.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.559 ' HD2' ' HB3' ' A' ' 38' ' ' LEU . 30.0 Cg_endo -64.89 -11.21 28.39 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.367 2.044 . . . . 0.0 113.168 -178.202 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.496 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 35.0 t70 -113.35 -54.6 2.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.492 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -138.3 167.27 22.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.782 0.325 . . . . 0.0 110.92 -177.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.43 ' HB ' ' HB2' ' A' ' 10' ' ' PHE . 50.3 t -102.0 142.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.262 -179.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -131.81 164.71 25.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.191 177.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.49 146.9 18.35 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.479 176.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.447 ' HB3' ' OG ' ' A' ' 34' ' ' SER . 2.1 t90 -111.77 153.42 26.55 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -106.48 19.87 19.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.292 0.567 . . . . 0.0 111.047 -173.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.509 HG13 ' HB2' ' A' ' 52' ' ' GLN . 56.0 t -99.64 135.6 34.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.456 -176.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.9 m -113.51 -43.74 3.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.093 0.473 . . . . 0.0 110.506 177.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.414 ' HB2' ' HG3' ' A' ' 52' ' ' GLN . 44.3 mtpt -99.96 142.51 24.76 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.665 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -57.08 -29.73 84.19 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.694 2.263 . . . . 0.0 112.111 175.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -64.46 -24.63 67.69 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.154 176.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.509 ' HB2' HG13 ' A' ' 47' ' ' VAL . 98.5 mt-30 -81.83 4.25 22.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.621 -174.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 71.7 mt -73.38 95.58 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 173.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.443 ' H ' ' HB2' ' A' ' 57' ' ' SER . 15.9 t70 -123.08 163.98 19.49 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.649 -174.256 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -58.37 -34.54 70.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.37 . . . . 0.0 110.934 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -86.61 -14.65 42.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.222 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.443 ' HB2' ' H ' ' A' ' 54' ' ' ASP . 17.4 m -79.26 -28.58 42.39 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 170.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.5 mt -92.23 24.38 3.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.946 175.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -54.85 -47.77 73.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.716 -175.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 60' ' ' ARG . 43.1 ttm180 -71.36 -20.99 62.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.107 0.48 . . . . 0.0 110.442 -178.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 99.9 t -73.15 -38.8 55.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.806 176.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -75.16 -22.18 58.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.757 176.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.47 -49.17 72.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.317 0.579 . . . . 0.0 109.709 174.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.48 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 19.8 m120 -100.93 40.59 1.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.9 175.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.03 -60.72 2.27 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -171.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -86.67 1.97 50.13 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.177 0.513 . . . . 0.0 110.946 -173.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.48 ' HB1' ' HB3' ' A' ' 64' ' ' ASN . . . -85.5 -23.93 27.55 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 171.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.427 HD12 HD21 ' A' ' 38' ' ' LEU . 69.0 mt -102.21 85.97 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.022 173.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -74.66 -42.43 58.51 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.207 0.527 . . . . 0.0 110.203 -176.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 77.4 m -114.98 127.26 55.57 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.915 174.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.6 tp -117.22 111.12 18.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.015 0.436 . . . . 0.0 110.224 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 59.4 mt -98.08 124.58 51.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.718 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 66.9 t -111.67 126.46 69.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.62 0.248 . . . . 0.0 110.822 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -103.47 103.22 2.31 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 175.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.2 p -68.87 -41.75 77.94 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -172.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.45 ' HA2' HG23 ' A' ' 126' ' ' VAL . . . 91.92 115.02 2.06 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.585 -0.817 . . . . 0.0 113.303 177.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 79.21 -47.22 0.39 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.108 0.963 . . . . 0.0 111.643 173.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -138.72 156.95 46.96 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.788 -178.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.0 t -90.31 99.06 8.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.938 0.399 . . . . 0.0 110.719 -178.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -76.0 130.9 39.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.9 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 6.7 tp -88.43 125.53 41.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.149 0.5 . . . . 0.0 110.734 -177.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.411 ' HA ' ' HD3' ' A' ' 83' ' ' PRO . . . -79.77 129.35 71.26 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.453 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 82' ' ' ALA . 51.4 Cg_exo -55.82 148.05 58.31 Favored 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 123.003 2.468 . . . . 0.0 112.508 179.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 42.8 mtm180 -60.79 -37.64 82.59 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.904 -176.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.491 ' HA ' ' OE1' ' A' ' 85' ' ' GLN . 11.8 mm-40 -66.41 -32.47 73.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.772 0.32 . . . . 0.0 111.143 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.0 tp -69.13 -43.97 73.31 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -66.31 -42.26 88.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.538 177.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -56.11 -45.21 79.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.207 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' ' 93' ' ' VAL . . . -67.7 -46.67 71.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.278 -179.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.462 HD13 HD23 ' A' ' 97' ' ' LEU . 84.8 mt -62.53 -40.28 96.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.139 -179.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 91' ' ' ARG . 33.4 ttp180 -69.63 -27.24 64.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.02 0.438 . . . . 0.0 109.921 178.089 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -69.56 -30.51 70.95 Favored Glycine 0 C--N 1.331 0.274 0 N-CA-C 111.605 -0.598 . . . . 0.0 111.605 175.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 89' ' ' ALA . 21.2 t -82.34 -6.45 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 174.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 64.2 t30 69.86 33.89 2.73 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.572 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 70.1 t -98.51 120.93 48.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.808 175.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 49.6 t -77.15 100.87 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.866 0.365 . . . . 0.0 110.247 -179.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.462 HD23 HD13 ' A' ' 90' ' ' LEU . 45.9 tp -86.54 134.73 33.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.451 179.092 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -139.13 116.56 11.26 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 174.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.4 p -100.6 120.31 39.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.408 -177.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 72.8 mtm -140.33 -173.18 3.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.272 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -79.74 160.61 26.16 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.772 173.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.535 ' O ' HG13 ' A' ' 106' ' ' ILE . 3.2 m -59.71 -43.16 94.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.15 -173.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.69 -64.19 4.63 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 121.455 -0.403 . . . . 0.0 113.575 -177.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.39 -31.82 86.63 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.668 2.246 . . . . 0.0 112.714 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.42 -47.06 77.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.119 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' ' 102' ' ' THR . 78.4 mt -58.12 -47.04 88.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 121.014 0.435 . . . . 0.0 110.79 179.364 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.421 ' O ' HG13 ' A' ' 111' ' ' ILE . 66.4 ttt180 -63.28 -47.23 83.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.926 -176.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 26.9 m -63.61 -38.13 89.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -178.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.403 ' CZ ' ' HB3' ' A' ' 37' ' ' PHE . 72.3 t80 -58.53 -51.63 69.05 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.652 177.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -60.54 -41.97 95.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.193 -178.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 107' ' ' ARG . 81.9 mt -60.97 -44.83 98.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.13 -179.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 22.6 mmt -71.64 -40.44 69.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.406 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.407 HD11 ' HA ' ' A' ' 117' ' ' ARG . 28.5 mm -62.67 -31.42 52.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-O 120.98 0.419 . . . . 0.0 110.927 178.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -81.79 7.08 63.45 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.544 178.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -131.41 -81.07 0.52 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 117.055 0.428 . . . . 0.0 110.894 -178.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -107.22 -17.93 14.02 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -174.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.407 ' HA ' HD11 ' A' ' 113' ' ' ILE . 44.0 mtp85 60.14 -136.79 0.69 Allowed 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -173.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 64.31 22.16 12.71 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 122.271 1.034 . . . . 0.0 110.591 174.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 9.7 p -137.31 144.79 30.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.869 -176.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -128.52 152.42 48.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.427 177.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -124.35 121.43 34.95 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.003 0.43 . . . . 0.0 111.246 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -99.72 102.46 13.93 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 174.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 85.1 mt -110.24 124.36 51.47 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.695 -171.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 55.0 mt -100.57 141.84 16.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.338 173.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.61 130.32 42.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.891 0.377 . . . . 0.0 111.269 -178.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.45 HG23 ' HA2' ' A' ' 76' ' ' GLY . 46.7 t . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.282 177.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.597 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 73.4 m-85 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.597 ' HD2' ' HB3' ' A' ' 10' ' ' PHE . 2.0 Cg_endo -46.14 -40.47 21.29 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 123.024 2.483 . . . . 0.0 111.92 176.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 31.6 ttt180 61.16 86.13 0.11 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.377 172.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.9 t -144.49 147.02 32.75 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.578 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.494 ' HB3' ' HA ' ' A' ' 110' ' ' ASN . . . -100.41 10.08 41.71 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.877 177.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.84 102.57 10.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.954 -178.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.463 HD12 HG12 ' A' ' 106' ' ' ILE . 58.3 mt -94.03 100.12 10.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 174.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -79.55 -34.06 41.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.899 -171.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.3 89.43 3.13 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.093 0.473 . . . . 0.0 111.515 -176.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.46 ' HH ' ' HA ' ' A' ' 125' ' ' ALA . 31.7 t80 -127.9 103.0 7.02 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.24 0.543 . . . . 0.0 109.897 173.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -173.11 38.55 0.14 Allowed Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 110.301 -1.12 . . . . 0.0 110.301 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.553 ' HG2' ' H ' ' A' ' 22' ' ' GLY . 54.3 tttm -154.05 177.53 10.96 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -174.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.553 ' H ' ' HG2' ' A' ' 21' ' ' LYS . . . -74.31 66.52 1.91 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.667 -0.777 . . . . 0.0 111.864 176.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 148.11 166.45 12.75 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 121.25 -0.5 . . . . 0.0 111.916 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -95.92 117.65 31.03 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -98.83 110.65 23.22 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.336 0.589 . . . . 0.0 110.203 177.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -133.66 177.42 7.72 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.214 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.55 99.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.023 0.44 . . . . 0.0 111.03 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 141.27 -78.1 0.29 Allowed Glycine 0 N--CA 1.444 -0.787 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.517 -178.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 22.5 ptp -147.93 167.85 23.78 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.767 0.318 . . . . 0.0 110.641 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.2 p -96.03 103.52 15.41 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 171.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -84.11 110.31 18.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.491 -174.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -79.53 112.36 16.71 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 173.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 132.17 -153.66 20.66 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.144 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.508 ' HB3' ' HE3' ' A' ' 45' ' ' TRP . 15.3 m -101.27 154.29 18.9 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.886 0.374 . . . . 0.0 111.382 -177.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.401 HD22 ' HA2' ' A' ' 44' ' ' GLY . 50.5 mt -135.09 147.56 49.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.016 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.853 ' HG ' ' HB2' ' A' ' 45' ' ' TRP . 63.1 mt -110.66 99.03 8.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.094 176.147 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.509 ' HB2' ' HB2' ' A' ' 121' ' ' ALA . 86.8 m-85 -81.19 90.43 6.07 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 177.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.456 HD21 HD12 ' A' ' 68' ' ' ILE . 66.5 mt -98.7 157.1 34.82 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.162 -176.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -52.83 -29.58 43.61 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.573 2.182 . . . . 0.0 112.038 173.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -63.47 -66.03 0.6 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.181 173.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -169.37 -175.09 2.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.021 -178.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.1 t -89.93 100.73 11.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -100.03 161.81 13.37 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.642 -177.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.401 ' HA2' HD22 ' A' ' 35' ' ' LEU . . . -82.56 154.81 33.14 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.789 178.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.853 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 15.0 t90 -141.45 150.15 41.92 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -89.36 -152.93 0.25 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 53.5 t 66.68 88.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.172 0.51 . . . . 0.0 111.132 177.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 p -86.25 -27.53 24.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.966 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -105.64 122.21 43.41 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 173.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.472 ' HG2' ' OE2' ' A' ' 51' ' ' GLU . 6.9 Cg_endo -51.01 -32.9 40.41 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 123.381 2.72 . . . . 0.0 113.243 -177.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.472 ' OE2' ' HG2' ' A' ' 50' ' ' PRO . 1.9 mp0 -71.21 84.65 0.75 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.895 0.378 . . . . 0.0 110.353 176.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 178.22 -32.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.026 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 70.6 mt -44.48 107.99 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 O-C-N 124.077 0.86 . . . . 0.0 111.867 -176.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -141.34 -170.97 3.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.66 -177.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -65.5 -34.23 77.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.287 -177.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.606 ' HA ' ' HG2' ' A' ' 59' ' ' GLN . 56.9 m-85 -74.19 -42.47 59.8 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.858 0.361 . . . . 0.0 110.686 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.5 m -65.73 -21.28 66.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.923 0.392 . . . . 0.0 110.879 178.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 99.3 mt -105.22 15.86 26.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.365 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.606 ' HG2' ' HA ' ' A' ' 56' ' ' TYR . 66.0 mm-40 -65.15 -28.5 69.46 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 122.302 -0.249 . . . . 0.0 111.661 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -69.92 -25.8 63.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.175 0.512 . . . . 0.0 109.997 173.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 61.2 t -78.03 -43.54 28.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.713 175.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.464 ' HA ' ' HB3' ' A' ' 65' ' ' ALA . 40.7 m-85 -59.49 -29.65 67.98 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.231 176.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -55.38 -55.49 30.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.57 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -110.22 32.18 5.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.682 -178.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.464 ' HB3' ' HA ' ' A' ' 62' ' ' PHE . . . -69.97 -9.57 55.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.613 -177.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -71.61 -22.56 61.69 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.425 ' O ' ' HA ' ' A' ' 118' ' ' ARG . . . -103.41 3.48 35.12 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.07 0.462 . . . . 0.0 110.569 177.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.456 HD12 HD21 ' A' ' 38' ' ' LEU . 64.0 mt -114.1 105.09 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.767 -176.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -95.88 -33.54 12.17 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.358 0.599 . . . . 0.0 109.908 176.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.1 m -123.88 129.99 51.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.577 177.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.495 HD23 HD13 ' A' ' 97' ' ' LEU . 61.1 tp -118.66 105.71 11.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.037 178.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 51.2 mt -91.69 117.96 36.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.655 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.8 t -105.18 116.06 48.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 120.963 0.411 . . . . 0.0 110.647 -178.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -97.04 101.23 2.57 Favored Glycine 0 N--CA 1.442 -0.903 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 176.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.53 HG21 ' HB3' ' A' ' 80' ' ' TRP . 17.0 p -82.27 10.53 6.76 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.119 0.485 . . . . 0.0 111.984 -173.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.461 ' HA2' HG23 ' A' ' 126' ' ' VAL . . . 117.99 -137.89 13.48 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.99 178.529 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -88.37 -21.12 24.5 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.268 0.556 . . . . 0.0 109.905 177.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -113.15 151.38 30.96 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.419 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 91.3 t -95.07 110.35 23.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.857 0.36 . . . . 0.0 110.915 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.53 ' HB3' HG21 ' A' ' 75' ' ' THR . 54.2 t90 -75.49 137.79 41.15 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 171.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 61.8 mt -87.17 106.86 16.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.988 0.423 . . . . 0.0 110.395 -174.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.32 127.65 87.35 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.356 177.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -57.81 139.96 92.07 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.797 2.331 . . . . 0.0 111.837 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.7 mtp-105 -68.62 -13.85 62.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.852 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -62.94 -52.17 64.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.296 177.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.9 tp -70.26 -38.43 75.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.772 178.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -62.78 -43.33 99.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.631 -178.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.456 ' HA ' ' OE1' ' A' ' 88' ' ' GLU . 1.7 tp10 -70.87 -30.93 67.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.009 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.06 -43.19 93.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.362 176.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 42.9 mt -67.52 -36.31 80.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.353 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.94 -28.04 66.29 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 177.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -61.87 -34.71 89.72 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.489 174.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.519 ' O ' ' HB2' ' A' ' 94' ' ' ASN . 39.0 t -72.45 -80.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 172.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.519 ' HB2' ' O ' ' A' ' 93' ' ' VAL . 9.4 t30 171.02 30.02 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 114.981 -1.009 . . . . 0.0 108.947 174.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 42.2 t -118.7 108.69 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.515 -174.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.2 t -85.28 100.71 8.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.318 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.495 HD13 HD23 ' A' ' 71' ' ' LEU . 9.6 tt -88.13 125.79 34.78 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.846 178.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -134.5 134.47 41.51 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 177.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.1 p -97.54 126.77 43.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.827 -174.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.418 ' O ' ' HA2' ' A' ' 74' ' ' GLY . 88.6 mtp -142.55 -175.59 4.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.792 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.453 ' HB2' ' HD2' ' A' ' 104' ' ' PRO . 21.2 mp0 -78.95 157.99 28.08 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 174.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.562 ' O ' HG13 ' A' ' 106' ' ' ILE . 6.5 p -61.64 -45.63 93.25 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -178.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -54.11 -63.97 4.69 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 121.526 -0.369 . . . . 0.0 113.321 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.453 ' HD2' ' HB2' ' A' ' 101' ' ' GLN . 52.1 Cg_exo -55.0 -35.1 89.23 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.781 2.321 . . . . 0.0 112.7 177.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.62 -41.36 98.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.786 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.562 HG13 ' O ' ' A' ' 102' ' ' THR . 82.7 mt -59.81 -44.87 95.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.184 176.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 54.4 ttp85 -59.87 -55.6 32.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.093 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.471 ' O ' ' HG3' ' A' ' 112' ' ' MET . 62.7 m -60.78 -44.75 96.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.287 -177.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -61.44 -42.88 99.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.791 0.329 . . . . 0.0 110.56 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.494 ' HA ' ' HB3' ' A' ' 14' ' ' ALA . 27.0 t-20 -55.09 -50.66 68.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.756 178.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.34 -43.34 87.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.277 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.471 ' HG3' ' O ' ' A' ' 108' ' ' THR . 83.9 mtp -64.64 -36.34 83.94 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -175.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 26.5 mm -64.31 -46.36 93.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.787 0.327 . . . . 0.0 110.376 176.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -68.71 -19.39 73.12 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.961 -0.637 . . . . 0.0 111.974 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -74.49 -72.03 0.31 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 116' ' ' ARG . 35.0 ttp180 -161.75 18.71 0.11 Allowed 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 120.782 0.325 . . . . 0.0 111.359 -178.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 42.6 mtt85 61.1 -142.11 0.5 Allowed 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.802 177.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.425 ' HA ' ' O ' ' A' ' 67' ' ' ALA . 48.0 mtp180 66.36 23.5 10.66 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.594 0.712 . . . . 0.0 110.799 -179.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.411 HG13 ' HB2' ' A' ' 112' ' ' MET . 7.2 p -134.65 143.05 38.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.003 -178.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.454 ' HB1' HD23 ' A' ' 38' ' ' LEU . . . -128.51 147.01 50.66 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.986 177.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.509 ' HB2' ' HB2' ' A' ' 37' ' ' PHE . . . -120.66 118.42 30.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.895 0.378 . . . . 0.0 111.306 -178.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -99.28 98.94 9.85 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 175.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 88.3 mt -111.24 126.64 55.09 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.451 -172.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 56.3 mt -101.35 138.46 25.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.747 177.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.46 ' HA ' ' HH ' ' A' ' 19' ' ' TYR . . . -65.78 123.79 20.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 111.073 178.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.461 HG23 ' HA2' ' A' ' 76' ' ' GLY . 44.5 t . . . . . 0 C--N 1.325 -0.467 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.6 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.481 ' CD1' ' HB1' ' A' ' 41' ' ' ALA . 2.3 p90 . . . . . 0 CA--C 1.532 0.27 0 CA-C-O 121.07 0.462 . . . . 0.0 111.624 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 10' ' ' PHE . 94.8 Cg_endo -102.25 40.67 0.05 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 124.062 3.175 . . . . 0.0 111.498 178.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.0 ttp180 70.71 104.26 0.06 Allowed 'General case' 0 N--CA 1.463 0.195 0 O-C-N 124.005 0.816 . . . . 0.0 109.434 -170.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.8 m -90.03 103.29 15.97 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.165 0.507 . . . . 0.0 110.381 -176.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.6 9.34 43.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.688 -177.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.439 ' HA ' ' OD1' ' A' ' 110' ' ' ASN . . . -151.37 112.91 4.4 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.697 177.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.443 HD12 HD22 ' A' ' 110' ' ' ASN . 2.2 mp -78.03 131.4 34.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 175.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -70.91 -64.47 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.867 -172.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.513 ' HB3' ' HB3' ' A' ' 25' ' ' TYR . . . -133.81 146.58 50.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.145 0.498 . . . . 0.0 111.798 -175.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -142.83 149.64 38.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.617 177.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 154.63 -160.45 29.61 Favored Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 178.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 ptmm? -67.55 155.93 37.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.895 0.378 . . . . 0.0 110.628 177.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.41 -37.89 3.28 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.057 -175.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.39 157.94 7.47 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.406 ' HE1' HD11 ' A' ' 35' ' ' LEU . 7.1 p90 -77.14 153.64 34.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.945 0.402 . . . . 0.0 110.629 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.513 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 81.3 t80 -139.22 141.61 37.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.793 -172.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -126.96 177.19 6.78 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 175.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.64 97.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.037 0.446 . . . . 0.0 110.99 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.41 -79.31 0.25 Allowed Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.991 -179.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -147.86 164.1 34.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.633 0.254 . . . . 0.0 110.618 -177.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.4 p -102.77 151.05 22.85 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 174.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -138.39 112.55 8.6 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.926 0.393 . . . . 0.0 110.953 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -74.24 153.01 39.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.619 174.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 111.51 -107.44 2.15 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -175.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.603 ' HB3' ' O ' ' A' ' 45' ' ' TRP . 15.8 t -159.2 157.64 31.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.094 0.473 . . . . 0.0 110.542 177.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.448 HD21 ' HA2' ' A' ' 44' ' ' GLY . 73.6 mt -139.5 150.0 44.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.036 178.254 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.706 ' HG ' ' HB2' ' A' ' 45' ' ' TRP . 83.4 mt -100.22 99.18 9.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.47 179.309 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.522 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 66.4 m-85 -89.53 88.9 7.61 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 175.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.442 ' C ' ' H ' ' A' ' 40' ' ' ASP . 75.4 mt -87.22 160.31 48.98 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.831 -178.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.405 ' HD2' ' HB3' ' A' ' 38' ' ' LEU . 67.2 Cg_endo -74.63 32.73 0.36 Allowed 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.722 2.281 . . . . 0.0 112.044 176.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.442 ' H ' ' C ' ' A' ' 38' ' ' LEU . 29.7 t70 -150.92 -58.88 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.076 -175.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.481 ' HB1' ' CD1' ' A' ' 10' ' ' PHE . . . -146.3 167.21 24.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.437 179.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.1 t -110.92 128.62 67.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -127.0 163.28 24.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.727 0.299 . . . . 0.0 111.044 -177.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.448 ' HA2' HD21 ' A' ' 35' ' ' LEU . . . -88.88 135.46 13.03 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.095 -0.574 . . . . 0.0 111.898 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.706 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 5.7 t90 -137.74 92.77 2.71 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -175.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -79.16 84.06 5.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.379 0.609 . . . . 0.0 111.637 -174.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.7 t -124.06 99.12 6.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.259 172.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.1 m -78.46 -31.5 47.95 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.534 -175.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.651 ' HB2' ' HG3' ' A' ' 52' ' ' GLN . 89.1 mttt -113.06 127.67 26.55 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -61.64 -21.11 71.28 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.578 2.185 . . . . 0.0 112.15 178.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -71.91 -7.48 48.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.43 178.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.651 ' HG3' ' HB2' ' A' ' 49' ' ' LYS . 22.4 mt-30 -95.97 12.24 31.12 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.381 -177.239 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.415 HG21 HD23 ' A' ' 86' ' ' LEU . 69.3 mt -81.23 116.9 26.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.325 0.583 . . . . 0.0 110.828 -179.035 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.3 p30 -153.39 -167.08 2.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.863 -176.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.0 mtp-105 -77.88 -11.77 59.92 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.658 0.266 . . . . 0.0 111.303 -179.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -80.77 -44.25 18.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.225 0.536 . . . . 0.0 109.763 177.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.6 p -74.91 -43.78 52.39 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.68 177.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.6 mt -86.34 15.59 5.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.243 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.8 tm0? -52.95 -47.89 67.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.002 0.43 . . . . 0.0 110.748 -177.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.4 ttt-85 -69.82 -30.98 68.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.125 -178.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.9 t -68.85 -40.61 81.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.552 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -65.31 -29.3 70.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.707 176.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -80.4 -40.08 27.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.938 0.399 . . . . 0.0 110.488 179.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -86.34 17.89 3.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.18 -25.69 67.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.735 -177.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -69.96 -8.47 49.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.87 0.367 . . . . 0.0 111.239 178.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.411 ' O ' ' HB3' ' A' ' 118' ' ' ARG . . . -121.64 11.88 10.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.859 179.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 79.4 mt -136.7 119.59 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.88 -177.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -112.46 -25.06 9.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.818 0.342 . . . . 0.0 110.385 175.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.2 m -125.14 126.24 44.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.422 178.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.5 tp -116.79 104.93 11.83 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 178.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 59.8 mt -99.96 116.31 42.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.2 t -107.9 113.35 43.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.089 -175.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.417 ' HA3' ' HA ' ' A' ' 102' ' ' THR . . . -85.06 94.64 1.91 Allowed Glycine 0 N--CA 1.444 -0.786 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 170.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.502 HG22 ' HB3' ' A' ' 80' ' ' TRP . 16.5 p -67.45 -13.33 61.93 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -167.652 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.99 121.19 1.39 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.512 -0.851 . . . . 0.0 113.494 173.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.515 ' H ' HG12 ' A' ' 126' ' ' VAL . . . 76.47 -43.78 0.47 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.257 1.023 . . . . 0.0 111.76 173.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -152.29 177.32 10.69 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.2 t -92.53 106.81 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.096 0.474 . . . . 0.0 110.871 -176.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.502 ' HB3' HG22 ' A' ' 75' ' ' THR . 83.7 t90 -92.78 117.9 30.51 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.787 178.03 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 64.3 mt -87.41 116.49 29.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.345 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.61 140.8 97.62 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.296 -178.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -53.59 147.11 40.41 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 123.05 2.5 . . . . 0.0 112.377 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -55.22 -41.58 72.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.133 -175.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 50.0 tp60 -70.54 -37.04 74.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.742 0.306 . . . . 0.0 110.819 -176.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.415 HD23 HG21 ' A' ' 53' ' ' ILE . 58.3 tp -65.58 -42.9 91.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.27 0.557 . . . . 0.0 109.703 177.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 66.2 ttt180 -62.05 -43.38 98.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.226 177.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -66.43 -33.01 74.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.195 -179.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.05 96.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.024 0.44 . . . . 0.0 110.691 177.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.541 HD13 HD22 ' A' ' 97' ' ' LEU . 95.8 mt -70.01 -42.85 72.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.801 178.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -70.7 -21.17 62.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.456 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -66.34 -38.74 93.9 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 121.173 -0.537 . . . . 0.0 112.573 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.539 ' O ' ' HB2' ' A' ' 94' ' ' ASN . 19.5 m -81.79 -45.82 20.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.316 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.539 ' HB2' ' O ' ' A' ' 93' ' ' VAL . 66.6 t30 165.74 -21.95 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.794 0 O-C-N 123.487 0.492 . . . . 0.0 111.283 -178.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 48.4 t -69.87 125.64 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.198 0.523 . . . . 0.0 111.932 -169.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.2 t -87.66 108.34 18.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.454 173.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.541 HD22 HD13 ' A' ' 90' ' ' LEU . 69.9 tp -86.36 124.41 32.68 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.546 -179.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -130.67 114.58 15.58 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.991 0.424 . . . . 0.0 110.024 178.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.7 p -98.29 133.65 42.4 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.426 -176.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 22.9 ptp -161.27 -172.92 3.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.215 179.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -75.65 157.38 33.77 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 177.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.505 ' O ' HG13 ' A' ' 106' ' ' ILE . 4.3 m -58.55 -41.94 86.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.795 -176.094 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.25 -64.86 4.01 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 121.447 -0.406 . . . . 0.0 113.399 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.27 -34.08 78.24 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.788 2.325 . . . . 0.0 112.745 177.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.26 -46.12 91.69 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.9 0.381 . . . . 0.0 110.525 178.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 102' ' ' THR . 72.8 mt -58.97 -49.22 83.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.425 176.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -54.95 -52.26 63.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.248 -179.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.3 m -61.76 -36.6 81.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.415 -176.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -63.05 -46.7 86.27 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.644 177.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.443 HD22 HD12 ' A' ' 16' ' ' ILE . 29.6 m-80 -58.35 -31.84 67.97 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.162 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 49.3 mm -77.08 -54.1 13.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.032 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.496 ' HB2' HG13 ' A' ' 119' ' ' VAL . 25.4 mmt -67.87 -29.25 68.32 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -172.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 10.9 tp -63.49 -27.39 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.959 0.409 . . . . 0.0 110.946 -177.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -71.42 -29.27 68.36 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.036 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -91.78 13.65 17.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.67 0.271 . . . . 0.0 111.215 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 60.54 24.24 13.92 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.543 178.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -71.91 138.47 48.16 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.411 ' HB3' ' O ' ' A' ' 67' ' ' ALA . 60.6 mtt180 -78.15 67.3 3.95 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.301 0.572 . . . . 0.0 110.202 -178.396 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.496 HG13 ' HB2' ' A' ' 112' ' ' MET . 3.5 p -102.54 121.91 54.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.868 -177.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -103.11 121.41 42.57 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.723 176.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.522 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -98.51 104.47 16.51 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.079 0.466 . . . . 0.0 110.908 -179.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -89.07 98.41 11.75 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 175.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 86.4 mt -101.69 110.63 22.65 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.185 -172.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 64.1 mt -93.34 134.71 30.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 174.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -75.75 146.72 39.83 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.775 -177.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.515 HG12 ' H ' ' A' ' 77' ' ' ALA . 23.2 m . . . . . 0 C--N 1.322 -0.592 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.775 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.438 ' CD2' ' HB ' ' A' ' 42' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.821 0.343 . . . . 0.0 110.226 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -104.04 161.3 0.22 Allowed 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 123.753 2.969 . . . . 0.0 113.469 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.6 mmm-85 56.38 32.31 20.32 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.659 169.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.532 ' HB ' HG23 ' A' ' 42' ' ' VAL . 8.6 m -90.1 106.23 18.34 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.879 0.371 . . . . 0.0 110.533 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.442 ' HB1' HG23 ' A' ' 113' ' ' ILE . . . -129.03 6.48 5.43 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.349 179.052 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.38 102.22 14.9 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.468 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.456 HD13 HG23 ' A' ' 106' ' ' ILE . 67.5 mt -103.03 121.39 54.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 175.394 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -80.69 -59.81 2.54 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.174 -171.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.533 ' HB1' ' HB3' ' A' ' 25' ' ' TYR . . . -126.97 153.52 45.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.015 0.436 . . . . 0.0 110.71 -178.027 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -132.5 114.06 13.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.421 -178.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 141.06 -77.4 0.3 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.357 178.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -74.65 139.81 43.82 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.928 0.394 . . . . 0.0 110.394 -179.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.35 18.83 58.97 Favored Glycine 0 CA--C 1.52 0.359 0 CA-C-N 115.489 -0.778 . . . . 0.0 112.716 -176.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.409 ' HA3' ' HA ' ' A' ' 32' ' ' GLN . . . 75.08 -104.69 1.77 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.948 -178.262 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -107.4 108.3 19.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.0 0.429 . . . . 0.0 110.205 176.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.533 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 85.3 t80 -103.43 120.84 41.6 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.242 178.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -135.99 177.2 8.02 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 176.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.83 96.79 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.964 0.412 . . . . 0.0 110.512 178.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 146.45 -60.9 0.47 Allowed Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.627 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 22.3 ptp -147.88 161.63 40.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.993 0.425 . . . . 0.0 111.869 -175.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.0 m -101.46 96.87 7.43 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 168.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -105.51 105.47 15.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.138 0.494 . . . . 0.0 111.569 -171.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.409 ' HA ' ' HA3' ' A' ' 23' ' ' GLY . 5.4 pm0 -84.59 159.0 20.73 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 172.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.19 -111.97 3.34 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.474 -0.87 . . . . 0.0 111.526 -178.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.501 ' OG ' ' HB3' ' A' ' 45' ' ' TRP . 20.7 p -151.74 156.17 39.75 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.19 0.519 . . . . 0.0 111.34 178.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 90.3 mt -128.85 135.9 49.73 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.963 177.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.0 tt -108.71 105.54 15.18 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.492 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 97.6 m-85 -94.65 131.53 40.33 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.777 -178.287 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.2 mt -117.85 161.08 36.01 Favored Pre-proline 0 C--N 1.318 -0.765 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 175.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -47.69 -30.47 12.7 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.168 2.578 . . . . 0.0 114.027 -176.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -137.26 19.69 2.96 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -178.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -153.15 153.54 32.98 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.791 -176.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.532 HG23 ' HB ' ' A' ' 13' ' ' THR . 59.6 t -129.34 121.58 53.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 174.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -119.97 143.67 47.9 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.938 0.399 . . . . 0.0 110.995 -177.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.57 118.21 5.17 Favored Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 173.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.501 ' HB3' ' OG ' ' A' ' 34' ' ' SER . 2.1 t90 -87.16 141.11 28.89 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -176.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -91.7 10.61 27.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.836 0.827 . . . . 0.0 111.127 -172.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 91.9 t -91.73 117.0 34.11 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.895 -175.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.0 m -108.25 -3.5 18.39 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.462 0.648 . . . . 0.0 110.172 -179.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.588 ' HB2' ' HB2' ' A' ' 52' ' ' GLN . 50.3 mttp -128.03 124.43 23.13 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.046 -178.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.28 -39.46 86.67 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.565 2.177 . . . . 0.0 112.724 178.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -84.2 9.57 12.5 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 121.363 0.601 . . . . 0.0 110.796 -178.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.588 ' HB2' ' HB2' ' A' ' 49' ' ' LYS . 53.9 tt0 -91.03 -9.28 46.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.333 0.587 . . . . 0.0 110.417 179.135 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.422 HD12 ' CZ3' ' A' ' 80' ' ' TRP . 66.1 mt -67.72 105.64 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.359 0.599 . . . . 0.0 110.891 -179.103 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.75 ' H ' ' HB3' ' A' ' 57' ' ' SER . 2.8 p-10 -130.38 -168.81 2.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.007 -178.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.78 -43.4 90.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.122 -178.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -80.51 -31.05 37.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.454 -176.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.75 ' HB3' ' H ' ' A' ' 54' ' ' ASP . 38.3 t -61.03 -36.8 80.52 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.254 0.549 . . . . 0.0 110.187 175.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.5 HD23 HG22 ' A' ' 61' ' ' VAL . 92.8 mt -93.53 24.83 3.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.995 179.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -52.04 -44.3 64.15 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.046 0.45 . . . . 0.0 110.744 178.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -73.12 -21.33 60.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.906 -177.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.5 HG22 HD23 ' A' ' 58' ' ' LEU . 87.0 t -80.8 -47.1 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.272 179.319 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -66.37 -33.94 76.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.846 0.355 . . . . 0.0 110.284 176.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -57.04 -54.91 41.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.27 178.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -107.7 30.19 6.53 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.27 -175.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.04 -30.59 68.14 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.617 -178.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -62.69 -23.44 67.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.486 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -98.41 -0.17 44.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.025 0.44 . . . . 0.0 111.05 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 67.4 mt -108.84 136.49 44.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.979 -176.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -116.78 -61.64 1.69 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 172.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.0 m -104.97 126.78 52.4 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.355 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.6 tp -112.34 107.19 15.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.008 0.433 . . . . 0.0 110.188 178.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 61.3 mt -94.2 113.25 28.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.917 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 80.9 t -107.75 116.54 51.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.85 0.357 . . . . 0.0 110.858 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -95.09 109.7 3.89 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 175.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.46 ' CG2' ' HB3' ' A' ' 80' ' ' TRP . 72.2 p -88.75 13.13 13.11 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -172.005 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.41 -139.3 14.46 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.524 178.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.33 -47.64 33.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.908 0.385 . . . . 0.0 111.153 -176.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -97.45 156.27 16.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.008 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.4 t -87.56 111.05 21.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -176.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.46 ' HB3' ' CG2' ' A' ' 75' ' ' THR . 58.7 t90 -88.8 123.23 33.0 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 174.414 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 11.0 tt -93.27 116.04 33.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.302 0.572 . . . . 0.0 110.148 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.69 133.67 89.15 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.757 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -51.16 136.52 45.84 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.702 2.268 . . . . 0.0 111.2 177.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.42 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 71.8 ttt180 -59.12 -35.85 74.18 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 121.217 -0.193 . . . . 0.0 111.268 -174.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -61.05 -39.37 89.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.961 0.41 . . . . 0.0 110.552 177.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.487 HD13 HD11 ' A' ' 58' ' ' LEU . 55.8 tp -72.26 -42.25 65.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.157 177.401 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -57.33 -51.1 70.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.711 178.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 84' ' ' ARG . 10.9 mm-40 -66.66 -30.29 70.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.203 -177.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.88 -46.68 80.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.872 0.368 . . . . 0.0 110.575 176.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.781 HD12 HD23 ' A' ' 97' ' ' LEU . 91.0 mt -70.51 -41.86 72.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.718 178.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 56.9 ttp85 -63.34 -28.01 69.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.682 -178.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -74.99 -30.71 58.82 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.454 178.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.471 HG21 HG23 ' A' ' 95' ' ' VAL . 30.1 m -96.08 29.64 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 O-C-N 122.71 -0.288 . . . . 0.0 111.287 -178.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.2 t30 77.51 0.67 2.93 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.976 171.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.471 HG23 HG21 ' A' ' 93' ' ' VAL . 65.2 t -87.38 107.45 17.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 O-C-N 122.011 -0.431 . . . . 0.0 110.873 -177.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.2 t -76.67 93.96 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.155 0.502 . . . . 0.0 109.867 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.781 HD23 HD12 ' A' ' 90' ' ' LEU . 54.3 tp -83.07 120.31 25.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.236 -177.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -129.83 125.18 35.08 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.5 p -103.87 126.04 50.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.522 -176.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 24.5 ptp -147.99 175.94 10.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.467 -177.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -72.53 159.91 33.16 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 176.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.481 ' O ' HG13 ' A' ' 106' ' ' ILE . 0.1 OUTLIER -63.14 -31.53 72.7 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -178.419 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.55 -67.06 2.41 Favored Glycine 0 CA--C 1.522 0.489 0 C-N-CA 121.117 -0.564 . . . . 0.0 112.414 178.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -57.96 -29.16 85.67 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.663 2.242 . . . . 0.0 112.485 176.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.05 -48.37 78.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.065 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 102' ' ' THR . 78.8 mt -60.38 -42.53 91.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-O 120.82 0.343 . . . . 0.0 110.254 178.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -57.06 -56.02 27.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.724 177.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.5 m -64.55 -41.63 96.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.453 -175.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -61.07 -47.86 84.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.806 -0.179 . . . . 0.0 111.291 -178.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -60.33 -37.34 80.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.011 0.434 . . . . 0.0 110.59 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 76.7 mt -74.18 -43.53 50.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 178.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 17.8 mmt -61.5 -43.32 99.07 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -177.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.442 HG23 ' HB1' ' A' ' 14' ' ' ALA . 10.8 tp -68.89 -26.04 31.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.941 0.4 . . . . 0.0 110.421 -179.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -85.49 -21.67 53.36 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.161 178.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -85.26 -4.47 59.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.14 0.495 . . . . 0.0 110.054 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 63.39 66.51 0.7 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.703 176.255 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 35.8 mtp-105 -127.59 170.89 12.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.03 176.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -84.58 86.26 7.33 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 176.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 7.6 p -120.02 137.07 55.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 121.222 0.534 . . . . 0.0 111.433 -175.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -122.14 142.27 50.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.324 -0.853 . . . . 0.0 108.886 173.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.492 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -125.78 118.46 25.6 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.016 0.436 . . . . 0.0 111.517 -175.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -103.76 95.99 6.4 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 75.5 mt -103.65 116.57 32.59 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.199 -173.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 60.3 mt -101.84 128.04 54.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.492 176.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.84 163.08 28.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.71 -178.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 19.0 m . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.52 179.71 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.499 ' HD1' ' HB3' ' A' ' 41' ' ' ALA . 68.0 m-85 . . . . . 0 N--CA 1.456 -0.133 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 10' ' ' PHE . 16.6 Cg_exo -69.06 53.55 0.84 Allowed 'Trans proline' 0 N--CA 1.476 0.497 0 C-N-CA 123.597 2.865 . . . . 0.0 114.149 -172.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 50.3 ttp180 52.94 82.38 0.07 Allowed 'General case' 0 C--O 1.235 0.308 0 C-N-CA 123.295 0.638 . . . . 0.0 111.659 174.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.43 ' HB ' ' CG2' ' A' ' 42' ' ' VAL . 20.0 m -101.03 103.4 14.52 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.186 0.517 . . . . 0.0 110.615 179.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.504 ' HB3' HG23 ' A' ' 113' ' ' ILE . . . -119.68 -25.8 5.85 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.804 177.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.34 104.61 17.12 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.837 177.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.486 ' HB ' HG23 ' A' ' 106' ' ' ILE . 57.0 mt -75.79 126.01 36.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.278 -177.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.565 ' HB3' ' HA ' ' A' ' 26' ' ' PHE . 45.0 t0 -68.57 -74.23 0.13 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.751 -173.065 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -163.48 176.62 9.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.925 0.393 . . . . 0.0 111.511 -179.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -149.1 159.32 44.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.812 176.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -138.69 -159.42 8.05 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.867 -0.683 . . . . 0.0 111.68 179.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.549 ' HD3' ' H ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -84.42 -20.07 32.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.979 0.418 . . . . 0.0 110.322 179.619 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.594 ' O ' ' HA ' ' A' ' 31' ' ' HIS . . . -101.83 37.01 3.85 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.56 179.348 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.02 -167.1 20.44 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.11 -179.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -79.86 156.74 27.2 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.86 0.362 . . . . 0.0 110.647 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -137.1 96.08 3.22 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.565 ' HA ' ' HB3' ' A' ' 17' ' ' ASP . 17.2 p90 -132.99 120.77 21.83 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.583 -173.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 60.87 17.21 7.55 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.291 174.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 109.58 -13.57 32.75 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.232 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 86.8 mtp -87.64 126.91 35.23 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.8 t -133.51 173.34 11.59 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.028 -173.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.594 ' HA ' ' O ' ' A' ' 22' ' ' GLY . 18.8 m-70 65.21 25.46 12.32 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.882 177.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.496 ' HG2' HD22 ' A' ' 35' ' ' LEU . 56.4 tp60 -96.47 112.82 24.42 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 175.398 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.51 -40.18 39.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.932 -0.652 . . . . 0.0 113.397 -174.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.697 ' HB2' ' HB3' ' A' ' 45' ' ' TRP . 0.9 OUTLIER -136.38 140.62 43.36 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.97 0.385 . . . . 0.0 110.963 -176.426 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.496 HD22 ' HG2' ' A' ' 32' ' ' GLN . 50.8 mt -132.11 139.6 48.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.513 ' HG ' ' HB2' ' A' ' 45' ' ' TRP . 97.6 mt -106.31 98.14 7.85 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.984 177.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.413 ' CE1' HD12 ' A' ' 123' ' ' LEU . 69.5 m-85 -86.01 94.29 9.19 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.713 -179.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.4 mt -89.27 160.17 43.19 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 175.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -72.49 44.8 0.76 Allowed 'Trans proline' 0 CA--C 1.535 0.548 0 C-N-CA 122.942 2.428 . . . . 0.0 112.983 -177.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -173.87 -57.3 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.297 0.57 . . . . 0.0 109.979 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.499 ' HB3' ' HD1' ' A' ' 10' ' ' PHE . . . -130.69 152.34 50.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.914 -177.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.43 ' CG2' ' HB ' ' A' ' 13' ' ' THR . 59.3 t -110.1 122.68 65.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.045 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 88.2 m95 -112.91 171.54 7.47 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.688 -177.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.74 153.51 21.26 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.907 -0.664 . . . . 0.0 112.59 -178.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.697 ' HB3' ' HB2' ' A' ' 34' ' ' SER . 2.8 t90 -134.88 160.33 38.59 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.571 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -121.01 29.12 7.52 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.374 0.606 . . . . 0.0 111.722 -171.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.538 HG12 ' HB2' ' A' ' 52' ' ' GLN . 74.1 t -111.25 97.81 6.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 O-C-N 121.691 -0.63 . . . . 0.0 110.852 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.2 m -86.78 -33.06 20.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.282 0.563 . . . . 0.0 110.539 -179.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.401 ' HB3' ' HE3' ' A' ' 49' ' ' LYS . 30.3 mtpp -106.85 126.37 30.4 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 175.209 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -60.19 -11.94 17.84 Favored 'Trans proline' 0 N--CA 1.474 0.356 0 C-N-CA 122.917 2.411 . . . . 0.0 112.951 -176.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -86.45 1.92 49.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.043 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.538 ' HB2' HG12 ' A' ' 47' ' ' VAL . 52.9 mt-30 -94.4 -8.45 38.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.883 178.025 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 65.2 mt -68.75 104.29 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.289 0.566 . . . . 0.0 111.955 -173.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -109.62 167.91 9.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.095 173.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -55.51 -39.77 70.92 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.857 0.36 . . . . 0.0 110.742 175.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -81.42 -12.07 59.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.662 -178.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.9 m -76.78 -25.91 53.88 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 170.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.0 mt -97.12 19.42 12.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.282 177.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -53.66 -44.72 69.87 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.259 0.552 . . . . 0.0 110.889 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -71.77 -19.88 61.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.337 -177.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.6 t -87.12 -49.01 15.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.045 -176.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -59.47 -30.24 68.38 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.877 0.37 . . . . 0.0 111.447 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -68.3 -40.8 81.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.117 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -96.17 13.91 25.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.462 0.649 . . . . 0.0 110.29 -175.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.71 -16.81 43.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.534 -175.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 35.9 p30 -67.82 -22.55 65.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.766 0.317 . . . . 0.0 111.248 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -103.99 4.17 34.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.968 0.413 . . . . 0.0 110.448 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 51.0 mt -107.17 89.61 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.86 -177.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -75.13 -47.85 26.6 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.377 -0.829 . . . . 0.0 108.991 172.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.454 ' HB ' HG21 ' A' ' 119' ' ' VAL . 25.0 m -117.95 128.5 54.86 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.078 176.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 51.6 tp -110.33 111.31 22.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.002 177.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 75.2 mt -97.34 122.44 48.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.583 -179.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.6 t -104.8 106.9 21.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 175.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -99.97 98.71 1.94 Allowed Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.904 -178.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.491 ' O ' ' HA ' ' A' ' 101' ' ' GLN . 16.6 p -99.45 121.91 41.8 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.072 0.463 . . . . 0.0 111.275 -177.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -87.97 42.35 3.1 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.625 -0.797 . . . . 0.0 111.902 177.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -149.85 79.48 1.37 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 120.78 0.324 . . . . 0.0 110.616 -176.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.2 t70 66.04 -157.88 0.26 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.973 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 38.7 t -96.48 96.94 5.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 176.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 72.4 t90 -90.87 111.77 23.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.037 0.446 . . . . 0.0 110.509 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 11.0 tt -92.09 131.93 37.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.838 175.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.16 132.98 87.85 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.682 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -57.6 145.56 88.65 Favored 'Trans proline' 0 C--O 1.236 0.382 0 C-N-CA 122.818 2.345 . . . . 0.0 111.286 177.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.439 ' HD3' ' N ' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -63.41 -28.53 70.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.123 -173.606 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.439 ' N ' ' HD3' ' A' ' 84' ' ' ARG . 7.7 tt0 -60.08 -43.85 95.19 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.888 0.375 . . . . 0.0 110.048 177.001 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.2 tp -76.95 -44.55 30.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.397 -178.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 61.0 ttp85 -57.65 -47.97 80.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.21 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -78.94 -21.74 46.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.485 -177.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.61 -43.09 77.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.96 0.409 . . . . 0.0 109.942 173.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.603 HD11 HD21 ' A' ' 97' ' ' LEU . 96.0 mt -67.1 -34.57 77.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.364 176.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -59.91 -34.13 72.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.245 176.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -63.44 -27.39 70.74 Favored Glycine 0 CA--C 1.518 0.227 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.217 177.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.438 ' O ' ' HB2' ' A' ' 94' ' ' ASN . 8.0 t -90.86 -2.48 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.158 0.504 . . . . 0.0 109.738 178.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.462 ' N ' HD21 ' A' ' 94' ' ' ASN . 0.9 OUTLIER 73.62 23.26 2.44 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.262 179.423 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.7 t -91.2 124.96 43.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.404 179.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.2 t -78.64 109.77 13.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.36 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.603 HD21 HD11 ' A' ' 90' ' ' LEU . 63.5 tp -92.37 133.94 35.4 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.425 -177.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -142.65 129.84 20.92 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 175.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.5 t -123.01 138.78 54.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.017 0.436 . . . . 0.0 111.346 -176.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -160.79 -171.88 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.706 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.491 ' HA ' ' O ' ' A' ' 75' ' ' THR . 26.1 mp0 -80.23 159.83 25.79 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 179.227 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.476 ' O ' HG13 ' A' ' 106' ' ' ILE . 3.5 m -51.78 -47.88 64.01 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 123.552 0.533 . . . . 0.0 112.121 -176.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -54.39 -65.45 3.49 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 121.245 -0.502 . . . . 0.0 113.012 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.16 -34.42 78.57 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.713 2.275 . . . . 0.0 112.685 176.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.34 -44.71 94.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.151 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.486 HG23 ' HB ' ' A' ' 16' ' ' ILE . 77.7 mt -56.65 -49.4 78.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.106 0.479 . . . . 0.0 110.299 177.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 107' ' ' ARG . 43.4 ttp180 -61.41 -45.05 95.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.665 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 45.7 m -64.07 -45.38 89.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.269 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -65.31 -43.35 91.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.652 0.263 . . . . 0.0 110.771 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -59.49 -30.67 68.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.792 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 77.1 mt -82.06 -49.54 17.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.948 0.404 . . . . 0.0 110.829 175.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.428 ' HA ' ' HB3' ' A' ' 115' ' ' GLU . 47.9 mtt -64.59 -28.36 69.57 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -174.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.504 HG23 ' HB3' ' A' ' 14' ' ' ALA . 10.7 tp -62.82 -32.01 54.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.865 0.364 . . . . 0.0 110.505 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -89.87 -29.21 16.21 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.603 176.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.428 ' HB3' ' HA ' ' A' ' 112' ' ' MET . 31.2 tt0 -69.62 -62.37 1.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.886 0.374 . . . . 0.0 111.45 179.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.416 ' O ' ' HG3' ' A' ' 118' ' ' ARG . 60.3 mtt180 -100.72 -33.93 10.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.65 -172.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 46.7 tpt85 67.97 7.79 6.03 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.604 0.716 . . . . 0.0 110.434 -178.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 116' ' ' ARG . 55.4 mtp180 -127.1 31.76 5.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.084 -177.16 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.454 HG21 ' HB ' ' A' ' 70' ' ' THR . 7.4 p -111.8 136.49 47.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.014 0.435 . . . . 0.0 111.03 -175.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -120.6 136.35 54.83 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.791 177.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -118.39 117.78 30.0 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.036 0.446 . . . . 0.0 111.503 -176.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -95.17 99.53 11.48 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 173.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.413 HD12 ' CE1' ' A' ' 37' ' ' PHE . 66.0 mt -100.96 133.39 45.51 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.143 0.497 . . . . 0.0 111.847 -172.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 64.2 mt -115.93 135.49 55.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.224 175.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.64 -174.26 2.9 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.031 0.443 . . . . 0.0 111.352 -179.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 45.7 t . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.055 179.474 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.741 ' HE2' ' HE2' ' A' ' 29' ' ' MET . 71.4 m-85 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 121.021 0.439 . . . . 0.0 110.685 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 10' ' ' PHE . 15.5 Cg_endo -91.35 113.64 0.38 Allowed 'Trans proline' 0 N--CA 1.448 -1.154 0 C-N-CA 123.541 2.827 . . . . 0.0 112.203 -178.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' A' ' 39' ' ' PRO . 24.0 ttm-85 62.28 29.75 17.4 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.672 177.196 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.3 m -90.6 103.41 16.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.875 -178.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -108.38 24.48 12.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.78 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -103.43 103.27 13.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.176 -177.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.7 mt -100.95 112.93 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 175.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -91.56 -8.67 46.77 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -174.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.524 ' HB2' ' HB3' ' A' ' 25' ' ' TYR . . . -154.51 124.46 6.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.085 0.469 . . . . 0.0 111.804 175.259 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -137.16 137.01 38.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.238 0.542 . . . . 0.0 110.737 175.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 152.27 -167.39 31.29 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt 64.33 -83.05 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.943 0.437 . . . . 0.0 111.046 176.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -174.65 27.28 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -165.4 168.19 39.29 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.432 -178.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -104.01 120.59 41.39 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.524 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . 86.3 t80 -109.86 113.38 26.06 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 175.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -142.22 127.89 19.19 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.804 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 64.2 11.14 6.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.057 -0.974 . . . . 0.0 113.018 172.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 130.22 -23.53 4.6 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 119.937 -1.125 . . . . 0.0 113.967 175.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.741 ' HE2' ' HE2' ' A' ' 10' ' ' PHE . 13.0 ptp -106.6 144.46 33.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 117.757 0.778 . . . . 0.0 111.304 -178.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.5 t -117.18 100.44 7.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.222 176.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -108.35 121.18 44.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.679 0.276 . . . . 0.0 110.517 -176.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -86.41 152.67 22.51 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.002 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.91 -132.09 10.94 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.29 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.474 ' HB3' ' HE3' ' A' ' 45' ' ' TRP . 40.2 m -121.09 154.14 36.52 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.808 0.337 . . . . 0.0 110.896 -177.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 88.6 mt -138.52 152.33 48.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.844 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.874 ' HG ' ' HB2' ' A' ' 45' ' ' TRP . 82.8 mt -110.69 104.56 13.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.305 178.127 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.445 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 97.1 m-85 -90.33 98.58 11.86 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.2 mt -92.07 155.89 42.62 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.667 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.518 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 36.1 Cg_exo -61.82 -10.68 17.97 Favored 'Trans proline' 0 CA--C 1.53 0.288 0 C-N-CA 122.959 2.439 . . . . 0.0 113.521 -176.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -120.38 -24.63 5.83 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -177.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -164.43 161.03 21.25 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.814 0.34 . . . . 0.0 111.424 -178.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.1 t -104.68 128.64 58.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.429 179.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -129.09 174.85 9.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.456 179.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.51 156.17 22.5 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.309 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.874 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 12.3 t90 -131.06 122.33 26.55 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -90.86 74.05 6.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.374 0.607 . . . . 0.0 111.969 -172.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.9 t -135.05 116.04 19.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 168.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.7 m -83.82 -32.6 25.21 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 120.892 0.377 . . . . 0.0 111.905 -170.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.475 ' HE3' ' HB2' ' A' ' 49' ' ' LYS . 30.6 ttmt -138.33 125.95 13.66 Favored Pre-proline 0 C--N 1.323 -0.567 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.605 -175.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.489 ' HD3' HG23 ' A' ' 124' ' ' ILE . 25.6 Cg_endo -62.65 92.7 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.061 2.507 . . . . 0.0 112.308 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -179.16 -49.67 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.067 -0.97 . . . . 0.0 108.926 -177.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -96.21 51.47 1.22 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.142 -175.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 57.8 mt -92.3 118.17 37.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.339 173.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -134.23 -171.6 2.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.612 -174.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.507 ' HG3' ' CE2' ' A' ' 62' ' ' PHE . 18.4 ttt180 -72.46 -23.55 61.07 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -174.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -78.59 -31.78 47.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.986 0.422 . . . . 0.0 110.522 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.4 p -83.94 -28.02 28.13 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.962 0.411 . . . . 0.0 110.724 178.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 88.3 mt -91.52 9.6 31.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.906 175.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -62.12 -32.92 73.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.934 0.397 . . . . 0.0 111.028 -175.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.405 ' HD3' ' CD1' ' A' ' 36' ' ' LEU . 40.4 mtt85 -60.57 -31.31 70.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.12 175.341 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.446 HG11 HD21 ' A' ' 71' ' ' LEU . 64.0 t -76.52 -40.7 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.794 -178.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.507 ' CE2' ' HG3' ' A' ' 55' ' ' ARG . 74.3 m-85 -62.85 -32.41 73.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.558 -178.17 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -77.01 -50.1 13.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.059 0.457 . . . . 0.0 110.447 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -86.26 20.9 2.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.294 0.569 . . . . 0.0 110.754 -175.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.32 -9.83 27.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.078 0.466 . . . . 0.0 111.433 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -75.92 -22.54 55.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.527 176.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -112.35 -28.17 8.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.424 178.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 62.9 mt -87.97 87.58 2.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.308 177.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -82.69 -58.0 3.08 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.659 176.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.6 m -104.2 123.93 48.21 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.541 176.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.466 HD23 HD11 ' A' ' 97' ' ' LEU . 56.4 tp -115.45 128.07 55.78 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.041 0.448 . . . . 0.0 110.916 -177.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 74.4 mt -115.76 124.29 72.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.853 178.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.55 ' HB ' HG22 ' A' ' 99' ' ' THR . 92.8 t -116.8 120.81 66.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.925 0.393 . . . . 0.0 110.626 178.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -95.63 109.16 3.79 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 176.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.521 HG21 ' HB3' ' A' ' 80' ' ' TRP . 25.6 p -88.21 29.97 0.91 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.024 0.44 . . . . 0.0 111.929 -174.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.18 -133.65 11.97 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.17 178.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.69 -18.42 21.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.089 0.471 . . . . 0.0 110.781 179.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -99.17 162.25 13.16 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.1 t -108.94 107.95 24.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 120.837 0.351 . . . . 0.0 111.429 -175.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.521 ' HB3' HG21 ' A' ' 75' ' ' THR . 88.2 t90 -105.02 112.88 26.17 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 174.099 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.465 ' HA ' ' HG1' ' A' ' 99' ' ' THR . 7.8 tp -87.08 134.64 27.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.716 -178.02 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.404 ' HA ' ' HD3' ' A' ' 83' ' ' PRO . . . -68.15 123.85 88.3 Favored Pre-proline 0 C--O 1.236 0.388 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.452 178.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 82' ' ' ALA . 33.1 Cg_exo -58.2 156.34 30.43 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 123.175 2.583 . . . . 0.0 112.392 -178.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.496 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 40.8 ttm180 -62.72 -45.66 91.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.973 -177.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -56.77 -41.58 77.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.917 0.389 . . . . 0.0 110.854 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.7 tp -67.31 -45.04 77.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.341 177.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.3 ttm180 -61.5 -40.18 93.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.472 -179.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 84' ' ' ARG . 33.5 mm-40 -59.34 -45.68 90.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.818 0.342 . . . . 0.0 110.482 177.235 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.27 96.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.865 178.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 66.4 mt -62.19 -46.9 86.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.305 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 37.5 ttp-105 -67.52 -21.4 65.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.052 0.454 . . . . 0.0 110.491 -177.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -70.09 -19.25 75.42 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.845 175.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.0 t -110.32 17.58 7.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 178.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.4 t30 77.69 -11.45 1.2 Allowed 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.935 176.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 48.2 t -65.21 110.76 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.99 0.424 . . . . 0.0 111.557 -175.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 37.7 t -90.65 93.48 4.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.773 176.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.466 HD11 HD23 ' A' ' 71' ' ' LEU . 31.4 tp -102.64 126.64 49.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.245 0.545 . . . . 0.0 112.044 -176.224 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -126.94 135.07 50.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.58 172.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.55 HG22 ' HB ' ' A' ' 73' ' ' VAL . 33.1 p -108.96 142.04 40.18 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.784 0.326 . . . . 0.0 110.947 -177.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -162.26 -174.38 4.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.907 178.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -66.29 151.25 47.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.462 176.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.472 ' O ' HG13 ' A' ' 106' ' ' ILE . 17.5 m -63.36 -29.8 71.05 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.474 -177.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -57.24 -67.11 2.38 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 121.173 -0.537 . . . . 0.0 112.83 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -58.35 -28.27 84.21 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.83 2.353 . . . . 0.0 112.51 175.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.78 -49.44 72.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.845 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 102' ' ' THR . 79.2 mt -58.68 -43.96 88.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.524 178.189 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 69.8 mtt85 -57.52 -53.57 56.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.339 178.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.8 m -63.49 -43.62 96.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.66 -177.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.402 ' CD1' ' HB1' ' A' ' 121' ' ' ALA . 69.8 t80 -63.49 -47.76 80.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.999 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -53.76 -48.38 69.78 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.348 0.405 . . . . 0.0 111.549 -177.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 70.3 mt -69.66 -47.86 68.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.1 0.476 . . . . 0.0 110.753 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.476 ' HE3' ' HB3' ' A' ' 118' ' ' ARG . 12.6 tpt -64.49 -42.64 95.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.676 -175.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.77 ' HA ' ' HA ' ' A' ' 117' ' ' ARG . 10.1 tp -68.24 -28.57 41.3 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-O 121.031 0.443 . . . . 0.0 110.631 -177.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -77.69 -43.02 15.85 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.455 -0.879 . . . . 0.0 111.71 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -74.42 -60.27 2.35 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -176.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.572 ' O ' ' HG2' ' A' ' 117' ' ' ARG . 47.7 mtt180 -121.49 -17.16 7.63 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.176 0.435 . . . . 0.0 112.176 -172.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.77 ' HA ' ' HA ' ' A' ' 113' ' ' ILE . 2.2 ptp180 45.55 36.54 2.58 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.717 0.807 . . . . 0.0 112.196 -179.181 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.476 ' HB3' ' HE3' ' A' ' 112' ' ' MET . 27.6 tpt180 -94.55 23.79 5.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.466 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 14.4 p -133.67 149.58 31.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.036 -171.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -124.19 142.05 51.55 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 172.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.445 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -117.08 120.1 37.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.091 0.472 . . . . 0.0 112.08 -174.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.535 ' HB3' HG22 ' A' ' 73' ' ' VAL . . . -105.3 97.19 7.07 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 172.036 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 87.9 mt -105.8 128.57 53.81 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.417 -171.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.489 HG23 ' HD3' ' A' ' 50' ' ' PRO . 35.6 mt -102.74 144.35 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.41 175.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -72.65 156.96 38.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.938 0.399 . . . . 0.0 110.893 178.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 17.8 m . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.8 178.12 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 . . . . . 0 C--O 1.232 0.147 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -87.59 89.37 0.56 Allowed 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.87 2.38 . . . . 0.0 113.625 -173.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 12' ' ' ARG . 33.0 ttp-105 63.57 104.43 0.03 OUTLIER 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.796 170.365 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.4 m -90.0 103.3 15.98 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 171.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.9 -45.59 10.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.917 0.389 . . . . 0.0 111.402 -175.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -96.42 102.68 14.5 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.603 -179.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.416 ' HB ' ' CG2' ' A' ' 106' ' ' ILE . 45.0 mt -99.8 140.94 17.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -99.89 -167.45 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.386 -176.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.63 147.93 5.93 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -178.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -133.42 157.79 44.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.991 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.96 -83.13 0.32 Allowed Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.217 177.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.457 ' HA ' ' HD3' ' A' ' 21' ' ' LYS . 26.1 mmtp -73.44 106.36 5.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.235 0.54 . . . . 0.0 110.792 -179.114 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.59 -3.29 71.38 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.874 -177.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.424 ' HA3' ' O ' ' A' ' 32' ' ' GLN . . . 99.77 -126.56 8.96 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.896 -0.668 . . . . 0.0 111.762 -178.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -99.01 124.36 43.94 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 176.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -125.07 103.6 8.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.483 -174.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -142.57 177.22 8.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.48 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.04 97.18 3.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.311 0.577 . . . . 0.0 111.195 -176.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 154.09 -74.24 0.24 Allowed Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 58.5 mtt -140.77 141.79 34.79 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 173.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.8 m -132.65 113.13 12.65 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.68 -178.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 175.06 171.39 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.134 -176.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.424 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 32.1 mt-30 71.71 149.33 0.09 Allowed 'General case' 0 N--CA 1.467 0.421 0 O-C-N 124.096 0.872 . . . . 0.0 112.124 174.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.6 1.63 69.22 Favored Glycine 0 N--CA 1.445 -0.717 0 CA-C-N 115.454 -0.794 . . . . 0.0 112.457 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.563 ' HB2' ' O ' ' A' ' 45' ' ' TRP . 49.3 m -156.29 148.23 23.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.951 0.405 . . . . 0.0 110.483 178.116 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 82.3 mt -139.76 142.09 36.79 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.939 176.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.3 tt -105.42 105.07 14.94 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.523 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 99.2 m-85 -96.3 111.33 23.44 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.061 -177.254 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.552 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 94.3 mt -89.74 163.64 31.96 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 171.198 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.552 ' HD2' ' HB3' ' A' ' 38' ' ' LEU . 33.3 Cg_endo -65.48 11.9 0.13 Allowed 'Trans proline' 0 CA--C 1.535 0.572 0 C-N-CA 122.679 2.253 . . . . 0.0 114.286 -177.576 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.432 ' H ' ' C ' ' A' ' 38' ' ' LEU . 14.4 t70 -162.54 -40.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.882 0.372 . . . . 0.0 110.859 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.428 ' O ' ' HB2' ' A' ' 38' ' ' LEU . . . -106.81 135.65 47.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.828 0.347 . . . . 0.0 111.439 -177.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.6 t -102.22 127.29 55.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.246 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 65.3 m95 -120.03 145.3 46.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.949 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -83.75 131.89 10.71 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 176.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.563 ' O ' ' HB2' ' A' ' 34' ' ' SER . 0.8 OUTLIER -119.95 104.59 10.29 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -174.31 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -78.93 84.73 4.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.292 0.567 . . . . 0.0 110.818 -177.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.435 HG12 ' HB3' ' A' ' 52' ' ' GLN . 92.7 t -134.62 143.7 36.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.436 179.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.8 m -130.87 -5.55 4.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.338 0.589 . . . . 0.0 110.694 177.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -136.18 137.06 23.72 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.227 -178.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -62.66 -19.69 68.81 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.3 2.0 . . . . 0.0 110.948 173.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -72.22 -12.81 61.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.828 178.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.435 ' HB3' HG12 ' A' ' 47' ' ' VAL . 39.5 tt0 -91.71 19.37 6.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.002 -173.221 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 64.3 mt -102.28 103.52 15.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.239 0.543 . . . . 0.0 111.707 -176.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -121.87 178.09 5.02 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 174.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -64.51 -25.54 68.04 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 176.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -65.41 -40.65 93.65 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.0 174.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.5 m -69.33 -33.08 72.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.116 178.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 87.5 mt -94.93 27.22 3.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.661 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -54.18 -41.73 68.86 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.41 -177.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -66.92 -36.39 82.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.847 0.356 . . . . 0.0 110.851 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.498 HG12 HD22 ' A' ' 71' ' ' LEU . 61.4 t -68.93 -42.64 82.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.006 -176.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -70.74 -20.13 62.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.762 0.315 . . . . 0.0 111.389 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -84.43 -51.31 7.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.047 0.451 . . . . 0.0 110.491 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -90.22 25.8 2.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.535 -179.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.68 -37.38 68.23 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -173.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -57.96 -39.64 78.63 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.056 0.455 . . . . 0.0 110.611 -178.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.77 -11.72 55.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.714 -175.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.8 mt -103.28 108.67 24.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.963 0.411 . . . . 0.0 110.802 -178.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -92.69 -43.2 9.2 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.284 0.564 . . . . 0.0 109.808 177.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.6 m -120.27 126.73 51.31 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.75 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.498 HD22 HG12 ' A' ' 61' ' ' VAL . 61.3 tp -111.92 105.13 13.48 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.875 178.25 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 61.0 mt -95.02 119.41 43.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.08 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.3 t -111.81 117.78 56.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.506 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.549 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -93.99 107.92 3.6 Favored Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 176.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 22.2 p -89.06 30.2 0.97 Allowed 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -173.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.46 -74.66 2.49 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.422 178.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -137.75 -68.75 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.872 0.368 . . . . 0.0 110.68 -178.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -81.62 137.0 35.53 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.105 179.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.671 HG12 ' HB ' ' A' ' 99' ' ' THR . 87.4 t -74.34 122.52 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.083 0.468 . . . . 0.0 110.837 -178.213 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 77.6 t90 -98.58 128.53 44.93 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.903 178.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 64.3 mt -91.41 116.88 33.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.401 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.01 155.66 71.53 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.222 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.433 ' HD2' HD21 ' A' ' 86' ' ' LEU . 85.2 Cg_exo -49.07 141.78 21.92 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.926 2.417 . . . . 0.0 112.344 177.08 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 75.8 mtt85 -50.03 -50.23 48.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.488 -175.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -77.5 -21.4 52.83 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.519 -176.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.433 HD21 ' HD2' ' A' ' 83' ' ' PRO . 55.1 tp -75.64 -39.83 57.15 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 175.178 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -59.76 -47.84 84.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.757 174.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.41 -41.33 98.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.735 178.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.471 ' O ' HG21 ' A' ' 93' ' ' VAL . . . -56.53 -49.2 75.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.85 -53.55 56.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.388 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -65.0 -26.67 68.39 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.707 0.289 . . . . 0.0 111.544 -177.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.89 -29.32 75.03 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.815 176.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.471 HG21 ' O ' ' A' ' 89' ' ' ALA . 5.6 t -94.68 16.51 1.86 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-O 121.145 0.498 . . . . 0.0 109.823 179.147 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.456 ' HB3' ' O ' ' A' ' 93' ' ' VAL . 8.8 t30 80.12 -13.49 0.94 Allowed 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.428 177.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 43.1 t -68.6 105.55 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.136 0.493 . . . . 0.0 110.958 -178.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 66.3 t -76.74 113.2 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.625 179.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 63.6 tp -80.02 116.84 20.38 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.643 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -118.68 112.34 19.68 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.305 178.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.671 ' HB ' HG12 ' A' ' 79' ' ' VAL . 7.6 p -97.55 118.17 33.45 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.518 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.549 ' O ' ' HA2' ' A' ' 74' ' ' GLY . 49.2 tpp -141.46 163.45 32.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.339 -173.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -65.4 140.64 58.66 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 171.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.536 ' O ' HG13 ' A' ' 106' ' ' ILE . 19.9 m -55.04 -45.4 75.21 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -172.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -54.17 -68.27 1.74 Allowed Glycine 0 CA--C 1.525 0.671 0 C-N-CA 121.269 -0.491 . . . . 0.0 113.48 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.19 -36.16 84.92 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.509 2.139 . . . . 0.0 112.277 176.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.76 -39.83 90.21 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 120.768 0.318 . . . . 0.0 111.064 178.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' ' 102' ' ' THR . 76.5 mt -58.31 -45.67 89.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.281 176.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -67.71 -40.63 84.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.8 m -57.87 -46.44 84.85 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.2 0.524 . . . . 0.0 110.047 176.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -62.16 -46.73 87.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.814 177.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -53.07 -45.52 68.17 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.712 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 66.4 mt -71.02 -48.81 53.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.828 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 46.2 tpp -65.87 -36.38 83.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.95 -174.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.424 HD11 ' HA ' ' A' ' 39' ' ' PRO . 11.2 tp -67.43 -24.65 31.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.775 0.321 . . . . 0.0 111.123 -176.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -96.13 -16.79 36.84 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.104 178.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -88.48 -63.75 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.95 0.405 . . . . 0.0 111.071 -177.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.45 ' O ' ' HB2' ' A' ' 117' ' ' ARG . 15.6 ttm180 -128.27 -22.03 3.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.062 -172.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' A' ' 116' ' ' ARG . 84.0 mtt85 66.05 -142.78 0.18 Allowed 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 -171.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.422 ' H ' ' HB3' ' A' ' 117' ' ' ARG . 26.9 mmt180 63.72 21.57 12.74 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.259 0.552 . . . . 0.0 110.756 -179.087 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 9.3 p -126.73 140.15 49.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.554 -175.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -121.91 137.47 54.77 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.345 174.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.523 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -113.36 110.39 20.26 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.076 0.465 . . . . 0.0 111.337 -176.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -97.25 95.09 7.48 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 173.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 96.0 mt -104.76 120.91 42.48 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.562 -171.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 55.3 mt -109.26 142.83 20.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.455 176.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -92.53 177.8 6.01 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 176.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 30.5 m . . . . . 0 C--N 1.324 -0.521 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 178.276 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.406 ' C ' ' H ' ' A' ' 12' ' ' ARG . 81.0 m-85 . . . . . 0 C--O 1.231 0.126 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.1 33.65 0.21 Allowed 'Trans proline' 0 N--CA 1.478 0.606 0 C-N-CA 123.383 2.722 . . . . 0.0 114.115 -173.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.406 ' H ' ' C ' ' A' ' 10' ' ' PHE . 72.1 mtp180 54.23 40.3 31.57 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.4 0.619 . . . . 0.0 110.675 177.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.0 t -90.2 143.36 26.84 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.594 -178.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.38 5.17 9.66 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.573 176.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.57 107.14 19.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.973 -178.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.493 HD12 HG21 ' A' ' 106' ' ' ILE . 68.2 mt -76.89 108.0 9.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 173.244 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.539 ' HB3' ' HA ' ' A' ' 26' ' ' PHE . 16.0 t70 -63.99 -60.63 3.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.282 -172.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -145.62 159.1 43.64 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 -178.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.461 ' OH ' HG22 ' A' ' 126' ' ' VAL . 75.7 t80 -114.3 115.29 27.16 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 175.1 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.89 -170.8 16.06 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.476 -0.868 . . . . 0.0 112.471 -175.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -89.46 119.8 30.22 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.76 -14.39 29.43 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.688 -176.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 152.25 -171.84 31.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.792 177.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -76.23 157.42 32.64 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.784 0.326 . . . . 0.0 110.781 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -137.36 131.66 32.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.986 -178.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.539 ' HA ' ' HB3' ' A' ' 17' ' ' ASP . 42.9 p90 -142.49 177.22 8.43 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 171.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.77 103.89 0.3 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.948 0.404 . . . . 0.0 111.19 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 121.18 -99.72 0.71 Allowed Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.246 179.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 26.8 ttt -89.47 152.47 21.44 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.698 0.285 . . . . 0.0 110.485 -176.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.7 p -158.56 -171.79 3.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.133 -177.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 64.4 t60 69.29 24.81 5.79 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 122.133 0.968 . . . . 0.0 109.714 -178.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.678 HE21 HD21 ' A' ' 35' ' ' LEU . 19.6 mt-30 -93.69 106.59 18.55 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.403 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.04 -42.74 7.45 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.917 -0.659 . . . . 0.0 113.198 -174.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.488 ' OG ' ' HB3' ' A' ' 45' ' ' TRP . 22.7 t -114.33 115.8 27.95 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -178.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.678 HD21 HE21 ' A' ' 32' ' ' GLN . 86.7 mt -132.52 137.29 47.11 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.223 0.535 . . . . 0.0 111.699 -176.639 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.464 HD23 ' HD2' ' A' ' 60' ' ' ARG . 56.7 tp -106.25 100.63 10.15 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.404 -0.816 . . . . 0.0 108.87 174.039 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.481 ' HB2' ' HB2' ' A' ' 121' ' ' ALA . 90.0 m-85 -83.11 102.68 11.99 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.534 -178.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 80.1 mt -89.3 152.05 47.22 Favored Pre-proline 0 C--N 1.319 -0.723 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 174.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 38' ' ' LEU . 15.0 Cg_exo -69.98 39.17 0.28 Allowed 'Trans proline' 0 CA--C 1.534 0.493 0 C-N-CA 123.368 2.712 . . . . 0.0 113.482 -175.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -170.2 -35.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.93 0.395 . . . . 0.0 110.726 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -146.57 146.74 30.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -178.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 37.7 t -97.58 126.71 50.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.066 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 99.7 m95 -119.59 152.57 36.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.832 0.349 . . . . 0.0 110.961 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -84.38 127.1 7.94 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.499 175.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.488 ' HB3' ' OG ' ' A' ' 34' ' ' SER . 2.3 t90 -93.64 152.04 19.26 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 -177.077 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -97.89 16.96 19.3 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.624 0.726 . . . . 0.0 111.152 -172.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.507 HG11 ' HB2' ' A' ' 52' ' ' GLN . 90.0 t -114.55 95.6 3.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.302 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.0 m -89.31 -30.39 18.47 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.019 0.438 . . . . 0.0 111.018 -176.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 54.6 mtmt -113.53 133.79 22.11 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 176.037 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 49' ' ' LYS . 31.6 Cg_exo -59.39 174.6 1.01 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.144 2.563 . . . . 0.0 113.155 -178.088 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 75.95 -7.82 1.73 Allowed 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.004 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.507 ' HB2' HG11 ' A' ' 47' ' ' VAL . 46.9 mt-30 -93.92 23.24 5.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.193 0.52 . . . . 0.0 110.101 175.098 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 59.2 mt -86.78 102.11 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.733 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -132.3 172.73 12.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.322 -175.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.9 mtp85 -53.94 -37.26 63.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.146 176.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -63.49 -44.54 94.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.693 176.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -68.24 -34.1 75.59 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.168 -177.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.4 mt -99.75 15.04 28.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.332 -176.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -60.47 -35.31 75.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.824 0.345 . . . . 0.0 110.888 -176.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.464 ' HD2' HD23 ' A' ' 36' ' ' LEU . 39.6 ttm-85 -66.66 -30.32 70.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.391 178.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.475 HG13 HD21 ' A' ' 71' ' ' LEU . 77.2 t -66.73 -39.23 83.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.017 178.151 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -64.82 -34.73 79.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.83 176.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -75.37 -44.13 46.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.429 -178.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -92.07 23.52 3.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.68 0.276 . . . . 0.0 111.17 -178.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.05 -23.82 64.05 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -176.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -76.53 -0.99 25.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.71 0.291 . . . . 0.0 111.258 -178.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -126.08 5.14 7.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.913 0.387 . . . . 0.0 110.573 177.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.6 mt -119.43 111.81 34.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.084 -176.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.435 ' HB2' ' HE ' ' A' ' 118' ' ' ARG . 23.2 t70 -95.17 -52.26 4.27 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.266 174.138 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.0 m -112.68 133.04 54.91 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.235 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.475 HD21 HG13 ' A' ' 61' ' ' VAL . 64.3 tp -113.75 100.59 8.58 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 177.334 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 65.7 mt -91.64 117.72 35.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.147 -0.478 . . . . 0.0 109.967 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 40.0 t -107.99 115.37 48.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.322 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.565 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -93.06 101.09 2.73 Favored Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 178.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.565 HG22 ' HB3' ' A' ' 80' ' ' TRP . 33.6 p -94.54 40.25 1.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -172.222 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.43 -138.14 15.56 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.522 176.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -101.87 10.24 39.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.982 0.42 . . . . 0.0 110.789 -177.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -131.27 149.27 52.64 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.973 -177.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.8 t -84.95 108.61 17.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.905 0.384 . . . . 0.0 110.517 -179.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.565 ' HB3' HG22 ' A' ' 75' ' ' THR . 80.4 t90 -91.85 120.7 32.79 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 65.6 mt -87.45 117.43 31.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.369 -177.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.63 131.13 80.27 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.503 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -54.09 143.9 60.47 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 123.013 2.475 . . . . 0.0 112.001 178.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.612 ' HG2' HH21 ' A' ' 87' ' ' ARG . 68.3 mtm-85 -62.45 -30.54 71.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.439 -175.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -62.09 -50.43 71.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.022 0.439 . . . . 0.0 110.496 175.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.2 tp -66.49 -42.61 87.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.7 -179.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.612 HH21 ' HG2' ' A' ' 84' ' ' ARG . 63.1 ttp85 -64.66 -45.16 87.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.226 -178.131 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -65.6 -35.3 80.42 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.38 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.568 ' O ' HG23 ' A' ' 93' ' ' VAL . . . -59.92 -52.44 65.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.507 177.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.621 HD12 HD21 ' A' ' 97' ' ' LEU . 97.2 mt -61.44 -39.29 90.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.49 177.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -59.69 -38.9 82.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.411 178.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -69.56 -23.54 76.57 Favored Glycine 0 N--CA 1.452 -0.262 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.402 178.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 89' ' ' ALA . 17.3 t -86.4 7.79 2.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-O 121.464 0.65 . . . . 0.0 109.535 177.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 74.93 13.1 3.41 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.819 178.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 57.8 t -96.72 113.22 30.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.098 178.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.4 t -77.04 103.23 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.927 0.394 . . . . 0.0 110.284 178.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.621 HD21 HD12 ' A' ' 90' ' ' LEU . 68.1 tp -77.89 124.59 28.19 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.836 -178.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -136.8 116.57 13.07 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.843 178.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 80' ' ' TRP . 6.1 m -101.71 138.08 39.17 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.429 -178.2 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.565 ' O ' ' HA2' ' A' ' 74' ' ' GLY . 48.3 ttm -154.57 158.75 40.24 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -176.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -65.53 144.55 56.93 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 174.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.477 ' O ' HG13 ' A' ' 106' ' ' ILE . 22.7 m -53.27 -40.92 65.03 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -172.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.58 -67.29 2.29 Favored Glycine 0 CA--C 1.522 0.503 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.631 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.415 ' HB2' ' SD ' ' A' ' 100' ' ' MET . 35.5 Cg_exo -58.64 -25.93 77.14 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.751 2.301 . . . . 0.0 112.592 176.214 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.98 -40.68 91.41 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.679 0.275 . . . . 0.0 110.857 177.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.493 HG21 HD12 ' A' ' 16' ' ' ILE . 86.2 mt -61.87 -42.42 94.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.266 0.555 . . . . 0.0 109.603 174.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.42 ' O ' HG13 ' A' ' 111' ' ' ILE . 28.5 tpt180 -57.96 -55.35 36.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.049 177.54 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.2 p -66.59 -42.11 87.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.753 -176.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.406 ' O ' HG12 ' A' ' 113' ' ' ILE . 61.8 t80 -59.57 -43.56 93.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.751 0.31 . . . . 0.0 110.684 178.18 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -61.39 -37.59 83.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.597 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 107' ' ' ARG . 75.7 mt -72.2 -40.22 65.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.052 0.453 . . . . 0.0 110.729 178.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 51.5 mtt -70.82 -4.2 22.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.238 -177.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.406 HG12 ' O ' ' A' ' 109' ' ' TYR . 44.4 mm -67.68 -56.05 14.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 175.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -77.15 -12.38 84.67 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.806 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -94.12 -56.57 2.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.834 0.349 . . . . 0.0 111.431 178.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 3.4 tpp85 -101.95 -63.76 1.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.871 -170.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 62.1 18.48 10.06 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.786 0.803 . . . . 0.0 110.028 -172.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.435 ' HE ' ' HB2' ' A' ' 69' ' ' ASP . 36.3 ttt85 -133.47 37.02 3.35 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 176.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 4.8 p -119.73 130.16 74.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 114.505 -1.225 . . . . 0.0 110.317 -177.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -103.54 126.8 50.91 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 177.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.481 ' HB2' ' HB2' ' A' ' 37' ' ' PHE . . . -113.32 109.65 19.06 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.135 0.493 . . . . 0.0 111.391 -176.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -89.06 95.5 10.34 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 173.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 81.7 mt -105.83 117.98 35.41 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.212 -172.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 64.8 mt -104.76 123.91 59.05 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.505 175.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.0 140.84 51.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.207 176.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.461 HG22 ' OH ' ' A' ' 19' ' ' TYR . 34.4 m . . . . . 0 C--N 1.325 -0.466 0 CA-C-O 120.911 0.386 . . . . 0.0 111.235 -176.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -72.71 16.82 0.39 Allowed 'Trans proline' 0 N--CA 1.473 0.316 0 C-N-CA 122.907 2.405 . . . . 0.0 113.862 -172.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.1 ttt85 57.25 80.38 0.16 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.743 0.783 . . . . 0.0 109.96 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.7 m -90.18 112.42 23.91 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.251 -171.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.434 ' HB1' HG23 ' A' ' 113' ' ' ILE . . . -94.39 -4.98 47.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.217 -179.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -151.45 126.99 10.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.965 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.514 ' H ' HD11 ' A' ' 16' ' ' ILE . 3.8 mp -64.06 132.51 29.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 176.145 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -81.15 -41.0 23.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.608 0.242 . . . . 0.0 110.859 -174.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -165.02 174.17 10.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.72 177.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -137.0 123.42 20.78 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 176.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.58 135.45 7.86 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.272 -0.966 . . . . 0.0 112.864 -175.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm 64.9 -90.87 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 123.277 0.631 . . . . 0.0 110.404 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.05 37.77 0.93 Allowed Glycine 0 N--CA 1.445 -0.761 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.558 ' HA3' ' HG2' ' A' ' 32' ' ' GLN . . . -151.97 158.6 27.88 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.957 -0.64 . . . . 0.0 111.874 -179.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -91.5 144.32 25.68 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.996 0.427 . . . . 0.0 110.186 -177.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -121.4 131.91 54.45 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.009 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -134.15 177.18 7.94 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.53 178.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.22 98.76 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.436 0.46 . . . . 0.0 110.936 178.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 137.61 -75.64 0.38 Allowed Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.272 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 24.1 ttt -147.84 158.48 44.05 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 -176.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.1 t -97.89 151.9 19.77 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 177.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -143.83 128.0 17.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.93 0.395 . . . . 0.0 110.819 176.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.558 ' HG2' ' HA3' ' A' ' 23' ' ' GLY . 52.8 mt-30 -91.27 162.99 14.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.765 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.39 -99.62 1.88 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.376 178.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.574 ' HG ' HG12 ' A' ' 124' ' ' ILE . 29.5 t -152.91 143.47 22.68 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -178.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 90.7 mt -126.84 137.85 53.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.793 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.657 ' HG ' ' HB2' ' A' ' 45' ' ' TRP . 91.6 mt -101.53 107.45 18.74 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.321 179.452 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.674 ' HB3' ' HH ' ' A' ' 109' ' ' TYR . 87.2 m-85 -89.0 99.58 12.54 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.633 177.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.2 mt -98.22 162.11 23.13 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.212 -178.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.84 -15.2 36.66 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.87 2.38 . . . . 0.0 113.074 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -95.7 -58.24 2.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.985 0.421 . . . . 0.0 110.525 178.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -157.72 -179.59 8.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.668 -177.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.6 t -100.65 130.16 50.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.346 -179.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -123.36 178.03 5.34 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.279 178.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -103.38 144.25 15.93 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.615 -0.802 . . . . 0.0 111.896 179.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.657 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 4.0 t90 -111.83 132.91 54.38 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -81.21 4.42 20.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.912 0.863 . . . . 0.0 111.391 -173.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.475 HG22 ' HB3' ' A' ' 57' ' ' SER . 58.2 t -93.99 88.8 2.43 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.231 176.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.4 p -82.78 -7.69 59.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.987 -173.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 98.1 mttt -135.9 139.43 30.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.462 -178.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.489 ' O ' ' HB3' ' A' ' 51' ' ' GLU . 21.1 Cg_exo -65.45 177.82 2.47 Favored 'Trans proline' 0 C--O 1.237 0.457 0 C-N-CA 122.847 2.365 . . . . 0.0 111.943 177.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.559 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 31.3 tt0 75.18 -44.15 0.53 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.199 0.599 . . . . 0.0 111.819 179.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -78.82 33.89 0.22 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.072 0.463 . . . . 0.0 111.56 -176.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 62.5 mt -103.06 118.86 50.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.181 -178.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.426 ' CG ' ' H ' ' A' ' 55' ' ' ARG . 10.3 t70 -137.56 -170.94 2.86 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 178.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.426 ' H ' ' CG ' ' A' ' 54' ' ' ASP . 2.3 mtm180 -56.28 -40.73 74.73 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.154 0.502 . . . . 0.0 110.826 178.164 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -63.47 -37.18 86.3 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.869 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.475 ' HB3' HG22 ' A' ' 47' ' ' VAL . 2.5 m -71.41 -34.65 70.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.385 0.612 . . . . 0.0 110.02 178.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.1 mt -94.58 15.47 17.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.073 -178.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -58.07 -40.34 80.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.049 0.452 . . . . 0.0 110.537 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -66.5 -27.58 67.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.187 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.8 t -79.8 -43.26 22.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.526 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -57.95 -34.9 70.41 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.591 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -63.83 -42.15 97.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.794 0.331 . . . . 0.0 111.115 179.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -103.27 22.91 13.28 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.444 0.64 . . . . 0.0 110.209 -177.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.86 -17.17 64.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.13 -175.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -85.93 -1.5 57.36 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.754 0.311 . . . . 0.0 111.015 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -119.14 -5.36 10.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.069 0.461 . . . . 0.0 110.592 177.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.8 mt -109.73 107.55 23.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.481 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -79.63 -67.94 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.48 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.453 ' O ' ' HA ' ' A' ' 119' ' ' VAL . 30.1 m -104.52 139.77 38.93 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.954 178.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.8 tp -125.59 105.37 8.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.762 0.315 . . . . 0.0 110.226 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 73.0 mt -92.26 117.28 35.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.162 0.506 . . . . 0.0 110.148 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.8 t -106.41 121.11 58.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.355 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.529 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -96.96 108.65 3.7 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 177.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.516 HG22 ' HB3' ' A' ' 80' ' ' TRP . 34.0 p -86.37 14.35 6.78 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.119 0.485 . . . . 0.0 111.909 -175.442 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.37 -110.29 3.33 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.843 176.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.95 -63.24 1.29 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.796 0.332 . . . . 0.0 111.337 -175.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -87.44 162.31 17.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.064 -178.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.699 ' HB ' HE22 ' A' ' 101' ' ' GLN . 7.3 p -99.23 121.58 50.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.365 0.602 . . . . 0.0 111.409 -177.207 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.559 ' CD1' ' HA ' ' A' ' 51' ' ' GLU . 58.1 t90 -94.77 122.78 37.73 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.28 174.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 66.9 mt -87.59 106.56 16.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.948 0.404 . . . . 0.0 110.015 -177.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.14 126.02 72.3 Favored Pre-proline 0 C--O 1.235 0.332 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.668 177.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -57.27 147.04 79.18 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 123.1 2.533 . . . . 0.0 112.482 -177.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 17.3 mtm180 -55.51 -44.0 76.19 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.084 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -57.1 -51.43 69.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.013 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.1 tp -65.49 -40.27 92.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.609 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -65.69 -40.6 92.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.557 -178.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -65.05 -43.18 93.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.635 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.45 -36.04 77.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.065 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.416 ' HB3' ' HB ' ' A' ' 95' ' ' VAL . 91.4 mt -68.84 -48.64 62.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.986 178.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 62.0 mtp180 -71.02 -18.23 62.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.958 -178.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.25 -26.22 70.35 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 174.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.482 ' O ' ' HB2' ' A' ' 94' ' ' ASN . 40.1 t -94.32 -56.45 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 176.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.482 ' HB2' ' O ' ' A' ' 93' ' ' VAL . 0.2 OUTLIER 170.96 -29.39 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.154 -177.495 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.416 ' HB ' ' HB3' ' A' ' 90' ' ' LEU . 57.4 t -63.79 111.79 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -170.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.0 t -93.96 96.6 6.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 173.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.2 tt -80.28 130.56 35.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.428 -178.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -127.05 127.48 44.79 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.467 177.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 80' ' ' TRP . 6.5 m -97.23 124.42 41.31 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.94 -175.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.562 ' HE1' ' HB2' ' A' ' 104' ' ' PRO . 87.9 mmm -138.85 167.73 21.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.282 -177.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.699 HE22 ' HB ' ' A' ' 79' ' ' VAL . 16.4 mp0 -84.98 157.75 20.7 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 173.021 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.412 ' O ' HG13 ' A' ' 106' ' ' ILE . 11.8 m -50.74 -45.24 58.66 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -175.205 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -59.93 -67.63 2.06 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 121.172 -0.537 . . . . 0.0 113.057 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.562 ' HB2' ' HE1' ' A' ' 100' ' ' MET . 49.5 Cg_exo -57.42 -27.31 75.38 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.781 2.321 . . . . 0.0 112.997 179.35 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.68 -50.42 64.97 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.742 -0.208 . . . . 0.0 110.741 177.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 102' ' ' THR . 78.2 mt -61.82 -37.01 77.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 120.968 0.413 . . . . 0.0 110.367 178.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -59.94 -58.44 8.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.483 178.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.1 m -60.76 -37.44 81.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.755 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.674 ' HH ' ' HB3' ' A' ' 37' ' ' PHE . 84.7 t80 -55.42 -55.72 28.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.586 178.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -55.9 -38.67 70.53 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.762 -178.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 72.1 mt -65.05 -51.29 68.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.297 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 89.8 mtp -72.6 -31.9 65.55 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.592 -175.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.641 ' HA ' ' HG2' ' A' ' 117' ' ' ARG . 45.1 mm -72.0 -23.77 22.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.042 0.449 . . . . 0.0 110.456 178.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -68.28 -9.1 56.96 Favored Glycine 0 CA--C 1.52 0.371 0 CA-C-N 115.863 -0.608 . . . . 0.0 113.218 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -121.62 -90.62 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 177.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -103.03 -26.66 12.99 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -167.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.641 ' HG2' ' HA ' ' A' ' 113' ' ' ILE . 31.6 mtm-85 62.01 76.5 0.36 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.091 0.472 . . . . 0.0 111.375 -176.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 23.9 mtp180 -111.83 24.37 12.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.371 0.605 . . . . 0.0 109.807 176.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 70' ' ' THR . 7.1 p -136.55 135.05 49.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.083 -174.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -104.09 142.77 33.89 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 172.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.511 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -116.21 124.31 49.95 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.947 0.404 . . . . 0.0 111.578 -175.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -108.66 96.95 6.69 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 174.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.5 mt -101.98 114.37 28.42 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.347 -174.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.574 HG12 ' HG ' ' A' ' 34' ' ' SER . 49.4 mt -100.03 146.3 9.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.68 177.105 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -73.17 165.26 25.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.974 0.416 . . . . 0.0 111.169 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 35.0 m . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.2 -178.605 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 . . . . . 0 CA--C 1.53 0.189 0 CA-C-O 120.921 0.391 . . . . 0.0 111.377 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -91.07 135.79 1.91 Allowed 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 123.243 2.629 . . . . 0.0 111.948 175.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 46.61 85.58 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.375 0.607 . . . . 0.0 111.555 -176.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.486 ' HB ' HG21 ' A' ' 42' ' ' VAL . 27.1 m -122.92 106.51 10.93 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.695 -179.442 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -113.31 19.38 17.06 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.101 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.49 117.75 31.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.839 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.429 HD11 HG22 ' A' ' 106' ' ' ILE . 62.1 mt -120.24 130.7 74.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.993 178.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -148.09 154.99 40.93 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 -177.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 58.42 91.61 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.952 0.782 . . . . 0.0 112.564 177.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -115.01 128.26 56.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.59 178.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 126.62 -77.82 0.39 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.548 176.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -68.92 99.31 1.04 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.826 0.345 . . . . 0.0 110.36 -178.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.4 18.44 60.48 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.077 -178.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.9 -103.33 2.45 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.133 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -121.52 116.43 24.66 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 178.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -106.48 93.65 4.71 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.242 0.544 . . . . 0.0 110.384 179.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -128.43 115.14 17.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.814 -178.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 63.86 -77.95 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.217 -0.901 . . . . 0.0 112.808 175.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.54 -72.52 0.98 Allowed Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.25 -0.5 . . . . 0.0 113.367 -173.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 23.8 ptp -147.77 172.14 14.58 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 122.742 -0.27 . . . . 0.0 110.924 -175.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.7 m -81.6 108.79 15.46 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 174.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -92.72 103.79 16.13 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.681 -0.407 . . . . 0.0 111.374 -176.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.93 113.94 16.32 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 172.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.569 ' HA2' HG23 ' A' ' 48' ' ' THR . . . 142.26 -176.03 22.43 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.827 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.564 ' HB3' ' O ' ' A' ' 45' ' ' TRP . 27.8 t -92.03 140.68 29.41 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.166 0.507 . . . . 0.0 110.575 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 97.9 mt -115.55 127.36 55.21 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.012 178.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.682 ' HB2' ' HB2' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -101.54 96.15 6.93 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.117 0.484 . . . . 0.0 109.698 -178.879 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -78.38 93.87 4.78 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.466 177.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.3 mt -76.6 158.53 80.92 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.821 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -69.58 44.18 0.39 Allowed 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 123.286 2.657 . . . . 0.0 113.351 -178.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -168.67 -55.88 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -138.83 164.36 29.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.975 -178.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.486 HG21 ' HB ' ' A' ' 13' ' ' THR . 41.4 t -91.06 118.28 35.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.472 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 37.6 m95 -115.83 176.19 5.2 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.003 0.43 . . . . 0.0 110.692 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -105.76 145.98 16.01 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.9 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.682 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 11.5 t90 -134.23 112.61 11.21 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -83.28 75.25 9.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.279 0.562 . . . . 0.0 111.058 -174.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 85.7 t -138.94 90.44 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 170.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.569 HG23 ' HA2' ' A' ' 33' ' ' GLY . 1.9 p -84.87 -20.4 30.87 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.572 -175.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -121.47 115.55 31.11 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 120.844 0.354 . . . . 0.0 110.161 178.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -58.01 -24.09 63.73 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.763 2.975 . . . . 0.0 114.238 -172.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -67.41 -17.09 64.58 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.775 0.322 . . . . 0.0 111.496 -178.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 41.1 tp60 -97.21 15.16 23.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.09 0.471 . . . . 0.0 111.01 -176.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.429 HG21 HD21 ' A' ' 86' ' ' LEU . 70.3 mt -69.51 122.47 21.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 174.56 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -149.63 168.69 22.87 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 -176.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' A' ' 55' ' ' ARG . 50.1 mtm180 -57.94 -33.75 69.15 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.761 0.315 . . . . 0.0 110.748 178.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -62.63 -45.07 94.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.689 176.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.4 m -72.01 -30.13 64.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.101 0.477 . . . . 0.0 110.54 179.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.9 mt -86.9 5.01 39.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.411 -178.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -58.07 -34.18 69.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.198 0.523 . . . . 0.0 110.376 179.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -69.36 -20.41 63.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.225 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.1 t -90.88 -45.16 14.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.323 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -55.82 -36.79 67.85 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.203 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -63.08 -26.02 68.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.471 -177.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -119.23 29.37 7.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.896 -176.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.51 -31.23 69.19 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 112.242 -176.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -63.24 -34.42 77.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.186 0.517 . . . . 0.0 111.101 178.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.59 -23.79 23.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.979 -178.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.9 mt -102.07 99.11 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.286 -176.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.475 ' HB2' ' CZ ' ' A' ' 118' ' ' ARG . 6.5 t70 -87.5 -54.58 4.2 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.117 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.6 m -106.47 119.72 40.02 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.606 -178.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.9 tp -112.31 106.81 15.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.319 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 59.6 mt -94.83 125.12 47.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.775 178.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 79.0 t -112.82 130.35 66.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.486 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -111.62 100.62 1.21 Allowed Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.484 -0.646 . . . . 0.0 111.484 177.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.8 p -71.48 -42.47 68.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.029 0.442 . . . . 0.0 111.792 -176.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.22 -59.59 1.38 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.695 -0.764 . . . . 0.0 113.015 175.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.18 -67.64 0.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.911 0.386 . . . . 0.0 110.844 -178.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -150.61 172.49 15.44 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 175.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 44.7 t -73.76 93.41 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.137 0.494 . . . . 0.0 110.345 -179.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 81.2 t90 -88.17 112.43 22.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.734 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 47.7 mt -93.03 116.21 33.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.444 -177.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.29 148.73 95.58 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.238 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.95 152.39 29.6 Favored 'Trans proline' 0 C--O 1.239 0.543 0 C-N-CA 123.009 2.473 . . . . 0.0 112.58 177.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -61.47 -41.6 97.49 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.429 -175.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -51.99 -45.84 64.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.038 0.447 . . . . 0.0 110.807 -178.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.429 HD21 HG21 ' A' ' 53' ' ' ILE . 52.8 tp -73.15 -47.03 47.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.988 -178.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.482 ' HG3' HD23 ' A' ' 97' ' ' LEU . 62.2 ttt180 -66.94 -39.48 87.33 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.059 0.457 . . . . 0.0 111.106 -176.284 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -71.85 -30.97 66.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.536 -178.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.98 -41.61 99.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.948 0.404 . . . . 0.0 110.216 176.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.47 -48.17 78.78 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.931 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 59.5 ttp85 -74.64 -20.94 59.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.698 -177.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -68.35 -23.04 75.0 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.142 -0.552 . . . . 0.0 111.737 175.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 46.4 t -86.33 -80.0 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 173.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -175.45 21.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.354 176.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 47.4 t -110.44 116.29 51.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.869 0.366 . . . . 0.0 110.932 -174.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 65.7 t -87.11 110.39 20.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.198 177.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.482 HD23 ' HG3' ' A' ' 87' ' ' ARG . 48.4 tp -85.71 107.21 17.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.606 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -108.72 101.48 10.6 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.4 m -102.51 119.24 38.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.575 -173.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 70.7 mtm -138.89 -172.37 3.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.747 178.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -81.56 160.58 23.82 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 173.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.433 ' O ' HG13 ' A' ' 106' ' ' ILE . 3.1 m -57.58 -39.46 76.83 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 -175.148 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -53.26 -69.05 1.33 Allowed Glycine 0 CA--C 1.522 0.514 0 C-N-CA 121.228 -0.51 . . . . 0.0 113.031 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -57.71 -32.57 95.0 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.856 2.371 . . . . 0.0 112.646 177.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.64 -48.8 77.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.65 0.262 . . . . 0.0 110.846 178.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 102' ' ' THR . 81.4 mt -57.94 -48.7 83.39 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.135 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.239 177.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 42.9 ttt-85 -56.61 -51.2 69.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.027 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.5 m -61.96 -46.18 90.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.169 -178.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -66.95 -45.72 76.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.926 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -57.98 -31.54 67.01 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.049 -176.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 79.5 mt -84.12 -53.09 11.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 177.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.523 ' HA ' ' OE1' ' A' ' 115' ' ' GLU . 38.5 ttp -72.21 -15.99 61.95 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -170.637 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 11.1 tp -74.61 -17.75 16.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.254 0.55 . . . . 0.0 109.641 174.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -72.24 -18.84 78.32 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.736 177.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.523 ' OE1' ' HA ' ' A' ' 112' ' ' MET . 0.4 OUTLIER -63.73 -69.71 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 175.676 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.508 ' HG3' ' H ' ' A' ' 117' ' ' ARG . 7.3 ptp180 -163.96 -74.35 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 176.612 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.508 ' H ' ' HG3' ' A' ' 116' ' ' ARG . 15.0 ptm180 178.86 -166.04 0.06 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 117.737 0.244 . . . . 0.0 111.157 -175.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.546 ' HG3' ' O ' ' A' ' 118' ' ' ARG . 0.0 OUTLIER 75.28 15.94 2.78 Favored 'General case' 0 C--O 1.245 0.822 0 CA-C-O 123.161 1.458 . . . . 0.0 110.873 -179.737 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.468 HG21 ' HE2' ' A' ' 112' ' ' MET . 5.4 p -117.38 132.61 66.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-N 113.419 -1.719 . . . . 0.0 108.757 171.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -118.17 147.53 43.26 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.241 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -127.62 114.71 17.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.946 0.403 . . . . 0.0 110.99 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -97.04 95.17 7.61 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 174.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 79.4 mt -98.33 107.84 20.4 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.553 -176.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.555 HG12 ' HG ' ' A' ' 34' ' ' SER . 60.8 mt -90.02 117.76 33.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.238 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -80.77 128.02 33.18 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 172.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 15.4 m . . . . . 0 C--N 1.323 -0.556 0 CA-C-O 120.939 0.4 . . . . 0.0 110.715 -178.346 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.657 ' HZ ' ' HA3' ' A' ' 28' ' ' GLY . 84.4 m-85 . . . . . 0 N--CA 1.465 0.3 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -97.38 105.79 0.08 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 123.651 2.901 . . . . 0.0 112.069 176.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 47.0 ttp180 62.6 92.23 0.06 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.406 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.7 m -102.27 144.64 30.52 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 177.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.8 -64.95 1.14 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.776 0.322 . . . . 0.0 111.195 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.9 155.01 16.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.995 0.426 . . . . 0.0 111.187 -176.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.4 mt -119.73 138.16 51.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.763 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.529 ' HB2' ' HA ' ' A' ' 26' ' ' PHE . 55.2 m-20 -64.99 -55.71 17.46 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 123.195 0.309 . . . . 0.0 111.49 -177.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.45 151.01 33.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.716 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -149.18 165.62 31.3 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.95 -102.76 1.42 Allowed Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.896 177.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.11 130.72 42.87 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 176.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.423 ' O ' ' HA ' ' A' ' 31' ' ' HIS . . . 79.53 -4.8 62.77 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.932 -0.652 . . . . 0.0 112.088 -174.355 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.43 -142.6 18.11 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 121.103 -0.57 . . . . 0.0 112.017 -178.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.454 ' HB2' ' HB2' ' A' ' 32' ' ' GLN . 94.0 m-85 -84.35 107.36 16.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.932 0.396 . . . . 0.0 110.289 176.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -113.67 93.65 4.48 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.994 -177.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.529 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 43.0 p90 -134.24 171.37 14.35 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.385 -178.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.4 102.79 0.57 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.059 0.457 . . . . 0.0 110.926 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.657 ' HA3' ' HZ ' ' A' ' 10' ' ' PHE . . . 151.28 -64.55 0.38 Allowed Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.933 -179.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 64.8 mtt -141.55 150.97 42.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.648 0.261 . . . . 0.0 110.434 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.4 p -117.01 158.74 23.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -177.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.423 ' HA ' ' O ' ' A' ' 22' ' ' GLY . 34.3 t60 58.91 78.59 0.25 Allowed 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.658 0.599 . . . . 0.0 111.182 176.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.454 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 43.0 mt-30 -135.26 136.34 41.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.04 -179.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.36 -42.22 1.65 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.858 -175.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.413 ' HG ' ' HA ' ' A' ' 48' ' ' THR . 10.7 m -132.58 118.17 18.87 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.671 0.272 . . . . 0.0 110.817 -176.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 92.8 mt -126.67 136.04 51.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.985 0.421 . . . . 0.0 111.001 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.488 ' HG ' ' HB2' ' A' ' 45' ' ' TRP . 97.9 mt -101.87 101.66 12.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.789 177.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.461 ' HB2' ' HB1' ' A' ' 121' ' ' ALA . 90.1 m-85 -85.48 104.65 15.46 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.194 -179.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.0 mt -102.63 156.85 34.76 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.7 177.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -53.4 -26.94 37.49 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.113 2.542 . . . . 0.0 113.392 -177.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -95.46 -56.81 2.58 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.674 0.273 . . . . 0.0 111.487 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -147.02 169.61 18.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.803 0.335 . . . . 0.0 111.278 -175.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.7 t -103.56 132.3 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.725 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.442 ' HB3' HH11 ' A' ' 60' ' ' ARG . 76.7 m95 -113.87 164.51 13.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.276 178.109 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -98.15 134.33 11.68 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.535 177.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.488 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 4.3 t90 -102.63 144.87 30.48 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 -177.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -100.71 15.92 26.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.764 0.792 . . . . 0.0 110.65 -175.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.1 t -120.14 101.67 11.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.823 178.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.413 ' HA ' ' HG ' ' A' ' 34' ' ' SER . 5.0 m -107.77 12.99 26.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.542 0.687 . . . . 0.0 110.86 -176.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.1 mttp -139.76 143.16 33.78 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.63 176.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.411 ' O ' ' HB2' ' A' ' 51' ' ' GLU . 33.4 Cg_endo -64.78 174.85 4.15 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.647 2.231 . . . . 0.0 111.33 175.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 50' ' ' PRO . 35.7 mt-10 74.09 -37.44 0.37 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.05 0.54 . . . . 0.0 111.496 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.405 ' H ' ' C ' ' A' ' 50' ' ' PRO . 65.1 tt0 -74.61 -15.38 60.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.148 0.499 . . . . 0.0 110.589 178.453 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 54.3 mt -69.66 114.95 7.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.75 -179.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.94 -177.63 5.53 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.413 ' HG3' ' CE2' ' A' ' 62' ' ' PHE . 19.9 ttt180 -62.89 -38.13 89.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.533 0.206 . . . . 0.0 111.128 -179.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -64.07 -43.04 96.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.99 0.424 . . . . 0.0 110.7 -177.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.5 p -77.09 -13.61 59.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.207 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 86.6 mt -104.99 10.91 33.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.679 178.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -60.59 -29.04 68.95 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -178.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.442 HH11 ' HB3' ' A' ' 43' ' ' TRP . 32.8 ttm180 -69.63 -28.19 65.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.116 0.484 . . . . 0.0 109.813 176.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 63.5 t -78.04 -42.67 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.897 178.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.413 ' CE2' ' HG3' ' A' ' 55' ' ' ARG . 60.5 m-85 -62.89 -32.46 73.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 176.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -69.6 -33.89 73.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.051 0.453 . . . . 0.0 110.799 178.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -103.73 17.8 23.32 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.899 -178.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.34 -21.78 65.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.548 -176.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -59.4 -27.06 65.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.802 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -101.95 3.99 39.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.3 mt -116.57 110.17 30.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.239 0.542 . . . . 0.0 110.942 -176.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -98.44 -46.16 5.87 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.277 173.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.9 m -116.76 133.79 55.58 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.913 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 64.5 tp -123.87 111.32 15.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.974 0.416 . . . . 0.0 110.496 -179.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 66.6 mt -97.35 126.15 50.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.531 178.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.49 HG22 ' HB1' ' A' ' 122' ' ' ALA . 93.4 t -120.26 122.23 67.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.985 0.422 . . . . 0.0 110.996 -177.227 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.431 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -103.0 102.91 2.31 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 175.218 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.519 HG21 ' HB3' ' A' ' 80' ' ' TRP . 7.3 p -87.74 25.13 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -173.014 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 98.55 -123.7 7.96 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.997 175.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.47 -27.33 22.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.852 0.358 . . . . 0.0 111.308 -175.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -121.86 165.22 16.24 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.276 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.762 HG21 ' HA ' ' A' ' 100' ' ' MET . 58.9 t -94.85 104.12 15.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.118 178.188 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.519 ' HB3' HG21 ' A' ' 75' ' ' THR . 70.2 t90 -80.16 119.97 23.65 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 176.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.6 mm -87.26 115.48 27.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.023 -178.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.9 136.56 95.07 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.717 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -56.22 151.56 42.99 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.855 2.37 . . . . 0.0 112.109 178.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 -48.86 -43.6 38.95 Favored 'General case' 0 N--CA 1.463 0.219 0 O-C-N 123.474 0.484 . . . . 0.0 111.557 -178.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -53.98 -50.67 66.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.228 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.2 tp -77.03 -39.68 49.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.754 -177.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -59.73 -47.75 84.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.337 -178.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -73.82 -31.53 63.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.777 -177.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.14 -45.92 89.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.721 0.296 . . . . 0.0 110.718 176.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.74 -46.67 84.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.752 178.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 67.4 ttt-85 -63.64 -35.65 81.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.999 0.428 . . . . 0.0 110.654 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -63.09 -28.25 71.83 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.616 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.674 HG12 HG22 ' A' ' 95' ' ' VAL . 7.2 p -98.29 21.52 1.43 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 CA-C-O 121.526 0.679 . . . . 0.0 109.995 179.06 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.412 ' HB3' ' O ' ' A' ' 93' ' ' VAL . 9.6 t30 79.97 -7.03 1.71 Allowed 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 115.114 -0.948 . . . . 0.0 112.101 172.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.674 HG22 HG12 ' A' ' 93' ' ' VAL . 81.1 t -70.86 105.77 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.236 0.541 . . . . 0.0 110.825 -176.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.1 t -74.8 100.54 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.027 177.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 59.8 tp -79.59 125.95 30.26 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.603 -179.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -128.72 117.5 21.25 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 175.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.1 134.22 55.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.64 -169.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.762 ' HA ' HG21 ' A' ' 79' ' ' VAL . 1.4 pmm? -166.02 -171.58 2.05 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.386 176.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -62.67 150.89 39.74 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.322 174.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.564 ' O ' HG13 ' A' ' 106' ' ' ILE . 6.5 m -55.91 -44.56 78.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.936 -176.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.07 -64.61 4.23 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 121.203 -0.522 . . . . 0.0 113.038 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -51.78 -38.98 68.14 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.691 2.261 . . . . 0.0 112.531 175.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.36 -43.41 92.85 Favored 'General case' 0 C--O 1.232 0.169 0 O-C-N 123.356 0.41 . . . . 0.0 111.338 -179.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.564 HG13 ' O ' ' A' ' 102' ' ' THR . 71.4 mt -61.48 -40.37 86.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.111 0.481 . . . . 0.0 109.974 177.481 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.436 ' O ' HG13 ' A' ' 111' ' ' ILE . 16.6 tpt180 -63.71 -48.1 78.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.925 -177.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.573 ' O ' ' HG2' ' A' ' 112' ' ' MET . 0.1 OUTLIER -63.88 -38.92 92.87 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.618 0.247 . . . . 0.0 111.091 178.292 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.528 ' O ' HG12 ' A' ' 113' ' ' ILE . 44.2 t80 -56.56 -40.73 75.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.571 178.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.91 -41.07 97.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.644 177.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 107' ' ' ARG . 58.2 mt -65.33 -46.01 91.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.048 -179.2 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.573 ' HG2' ' O ' ' A' ' 108' ' ' THR . 97.2 mmm -59.7 -32.33 70.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.855 -175.073 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.528 HG12 ' O ' ' A' ' 109' ' ' TYR . 48.3 mm -54.38 -32.36 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-O 121.007 0.432 . . . . 0.0 111.183 -179.188 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -115.12 39.45 2.77 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.509 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -156.54 -44.62 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.017 0.437 . . . . 0.0 110.937 178.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 116' ' ' ARG . 17.7 ttm-85 -148.03 86.36 1.57 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 177.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.408 ' O ' ' HB2' ' A' ' 118' ' ' ARG . 83.6 mtm180 -64.05 179.72 0.51 Allowed 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 114.52 -1.218 . . . . 0.0 110.6 175.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' A' ' 117' ' ' ARG . 3.3 mpp_? 69.2 29.26 4.69 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.855 0.836 . . . . 0.0 108.891 -169.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 7.1 p -104.18 133.05 49.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.769 178.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -117.26 154.68 30.76 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.913 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.461 ' HB1' ' HB2' ' A' ' 37' ' ' PHE . . . -128.47 114.73 17.15 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.985 0.421 . . . . 0.0 111.336 -178.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.49 ' HB1' HG22 ' A' ' 73' ' ' VAL . . . -95.01 96.52 9.32 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 173.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 94.7 mt -108.28 122.6 47.3 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.14 0.495 . . . . 0.0 111.612 -172.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 57.3 mt -104.59 134.65 45.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.239 -0.891 . . . . 0.0 108.792 172.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.62 143.94 56.77 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.916 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 58.3 t . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.022 178.129 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.426 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 98.3 m-85 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 10' ' ' PHE . 3.0 Cg_exo -76.02 63.47 6.83 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 123.027 2.485 . . . . 0.0 111.911 179.425 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.665 ' HG2' ' HA ' ' A' ' 40' ' ' ASP . 99.9 mtt180 54.76 74.46 0.35 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.46 0.648 . . . . 0.0 110.708 -177.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.8 m -113.66 103.8 11.6 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.892 -176.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -105.86 83.92 1.99 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.692 176.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -151.34 120.97 6.95 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 -177.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.8 mt -103.16 112.46 36.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 176.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.548 ' HB2' ' HA ' ' A' ' 26' ' ' PHE . 23.0 m-20 -80.84 -68.75 0.66 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.437 -176.199 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.436 ' HB2' ' HB3' ' A' ' 25' ' ' TYR . . . -126.15 144.66 50.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.182 0.515 . . . . 0.0 111.501 -178.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -140.9 136.34 32.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.779 175.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 133.2 -58.67 0.69 Allowed Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.265 175.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.422 ' HE3' ' HB2' ' A' ' 21' ' ' LYS . 36.6 ttmt -84.51 114.15 21.74 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 120.901 0.381 . . . . 0.0 110.415 -178.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.97 48.24 74.53 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.474 -178.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.74 -131.55 10.83 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.784 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -100.52 150.7 22.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.899 0.38 . . . . 0.0 110.773 178.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.561 ' HD1' ' HA ' ' A' ' 30' ' ' SER . 62.3 t80 -142.17 117.89 10.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.788 174.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.548 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 26.6 p90 -142.6 171.99 13.31 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 177.125 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.57 90.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.16 0.505 . . . . 0.0 111.327 178.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 149.46 -43.16 0.78 Allowed Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.959 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.501 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . 24.3 mmt -135.53 127.53 29.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.007 0.432 . . . . 0.0 110.407 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.561 ' HA ' ' HD1' ' A' ' 25' ' ' TYR . 37.3 p -106.47 112.43 25.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.217 -177.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 69.05 90.79 0.09 Allowed 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.888 0.743 . . . . 0.0 112.082 176.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -143.1 138.0 29.55 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.017 173.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.499 ' HA3' HG23 ' A' ' 48' ' ' THR . . . -90.22 1.64 80.15 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.959 -177.58 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.476 ' HB3' ' O ' ' A' ' 47' ' ' VAL . 8.5 p -157.33 117.23 3.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.92 0.391 . . . . 0.0 111.492 -178.497 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 97.0 mt -130.58 146.14 52.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.052 -178.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.5 mt -113.08 96.88 6.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.42 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -83.82 93.49 7.99 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.024 179.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.474 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 82.7 mt -90.63 160.47 38.77 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.644 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -53.15 -31.73 56.32 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.089 2.526 . . . . 0.0 113.919 -176.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.665 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 6.2 m-20 -105.07 -46.8 4.16 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -178.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.474 ' O ' ' HB2' ' A' ' 38' ' ' LEU . . . -137.96 153.33 49.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.145 0.498 . . . . 0.0 111.748 -175.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.7 t -94.88 122.68 46.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.064 177.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 20.3 m95 -107.76 178.47 4.52 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.92 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -132.03 150.72 19.65 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.215 -0.993 . . . . 0.0 112.847 -176.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.471 ' HB2' ' HB2' ' A' ' 34' ' ' SER . 1.4 m0 -110.7 -166.4 1.08 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -140.31 22.36 2.38 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 171.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.476 ' O ' ' HB3' ' A' ' 34' ' ' SER . 45.2 t -101.6 91.69 2.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 114.639 -1.164 . . . . 0.0 110.163 -175.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.499 HG23 ' HA3' ' A' ' 33' ' ' GLY . 8.5 m -95.68 -14.14 23.68 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.292 0.568 . . . . 0.0 110.753 -177.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 46.7 mtmt -103.4 125.03 36.14 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.077 177.315 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 49' ' ' LYS . 34.2 Cg_exo -60.62 173.42 2.14 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 123.172 2.581 . . . . 0.0 112.586 179.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.414 ' C ' ' H ' ' A' ' 53' ' ' ILE . 44.0 tt0 74.37 -29.51 0.2 Allowed 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.443 0.697 . . . . 0.0 111.83 -179.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.416 ' H ' ' C ' ' A' ' 50' ' ' PRO . 14.8 mm100 -78.05 22.31 0.3 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.958 0.409 . . . . 0.0 111.62 -179.528 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.414 ' H ' ' C ' ' A' ' 51' ' ' GLU . 47.1 mt -81.8 78.64 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 175.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -101.62 168.83 9.23 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.858 -177.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 -58.64 -30.51 67.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.978 0.418 . . . . 0.0 110.079 177.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -61.95 -30.33 70.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.064 177.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.7 t -92.06 -24.37 19.19 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.162 0.506 . . . . 0.0 110.053 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.6 mt -86.8 15.1 6.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.576 -177.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.403 ' HA ' ' OE1' ' A' ' 59' ' ' GLN . 13.2 mm-40 -59.88 -38.59 82.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.754 0.311 . . . . 0.0 110.622 179.102 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 60' ' ' ARG . 58.9 mtt85 -69.79 -11.39 60.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.141 177.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.5 t -94.97 -45.84 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.236 178.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -66.6 -34.86 78.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.885 0.374 . . . . 0.0 110.902 178.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -66.7 -25.82 66.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.683 178.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -116.51 27.32 9.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.479 -178.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.58 -26.7 68.81 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.768 -176.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -87.8 5.71 38.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.994 0.426 . . . . 0.0 111.129 179.41 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -120.02 -0.68 10.53 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.754 178.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 71.7 mt -130.39 128.84 64.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.566 -177.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.456 ' HB3' ' HB2' ' A' ' 118' ' ' ARG . 7.6 t70 -102.11 -57.69 2.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.128 0.49 . . . . 0.0 109.937 176.297 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 43.0 m -112.64 132.08 55.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.276 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.0 tp -117.36 113.47 22.16 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.807 0.337 . . . . 0.0 110.178 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 66.5 mt -96.98 115.72 37.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.925 178.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 89.0 t -100.11 119.82 48.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.528 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.47 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -91.28 117.16 5.11 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 178.098 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.507 ' HB ' ' O ' ' A' ' 78' ' ' ASP . 0.8 OUTLIER -97.48 -1.03 45.03 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.108 0.48 . . . . 0.0 111.716 -177.31 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.415 ' HA2' ' OG1' ' A' ' 102' ' ' THR . . . 79.23 -106.28 2.37 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.961 -0.637 . . . . 0.0 113.834 173.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -85.38 -26.43 26.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -170.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.507 ' O ' ' HB ' ' A' ' 75' ' ' THR . 2.8 m-20 -134.19 131.81 39.03 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.416 -179.49 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.405 ' HB ' ' HG3' ' A' ' 101' ' ' GLN . 6.3 p -80.83 97.38 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 122.084 0.945 . . . . 0.0 110.677 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.517 ' O ' HG22 ' A' ' 99' ' ' THR . 79.4 t90 -79.46 116.07 19.46 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.274 176.062 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 7.9 tp -87.1 123.16 39.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.314 0.578 . . . . 0.0 110.273 -177.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.07 131.0 89.2 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.731 -179.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -75.1 170.93 19.3 Favored 'Trans proline' 0 C--O 1.237 0.472 0 C-N-CA 122.5 2.133 . . . . 0.0 112.598 -178.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 34.5 mmm-85 -50.11 -44.7 52.25 Favored 'General case' 0 C--O 1.222 -0.395 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.833 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -49.85 -53.84 23.09 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.011 0.434 . . . . 0.0 111.522 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 36.3 tp -72.46 -41.03 66.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.959 -176.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -69.57 -35.11 75.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.688 -176.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.525 ' OE1' ' HD3' ' A' ' 91' ' ' ARG . 3.5 tp10 -66.77 -38.43 86.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.972 178.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.5 -48.07 83.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.071 179.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.57 HD12 HD22 ' A' ' 97' ' ' LEU . 79.2 mt -73.18 -28.53 62.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.111 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.525 ' HD3' ' OE1' ' A' ' 88' ' ' GLU . 29.3 ttt180 -61.69 -36.34 80.61 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.989 0.423 . . . . 0.0 110.108 174.492 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -68.09 -11.94 62.01 Favored Glycine 0 CA--C 1.52 0.366 0 CA-C-N 115.817 -0.629 . . . . 0.0 113.13 -178.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.462 HG23 HG22 ' A' ' 95' ' ' VAL . 16.6 m -119.14 14.01 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 117.01 0.405 . . . . 0.0 111.29 177.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 69.26 22.11 6.81 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 175.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.462 HG22 HG23 ' A' ' 93' ' ' VAL . 96.6 t -95.34 114.77 32.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.047 0.451 . . . . 0.0 110.318 178.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 42.7 t -76.25 106.5 6.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.094 179.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.57 HD22 HD12 ' A' ' 90' ' ' LEU . 65.1 tp -88.46 118.18 27.91 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.359 -177.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -126.47 125.91 42.88 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 174.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.517 HG22 ' O ' ' A' ' 80' ' ' TRP . 5.1 m -104.9 125.92 51.42 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.308 -179.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.47 ' O ' ' HA2' ' A' ' 74' ' ' GLY . 45.8 tpp -139.5 156.59 46.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.748 -174.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.405 ' HG3' ' HB ' ' A' ' 79' ' ' VAL . 44.5 mt-30 -83.2 167.6 17.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.877 177.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.441 ' O ' HG13 ' A' ' 106' ' ' ILE . 7.8 m -44.17 -64.47 0.67 Allowed 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -170.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -52.86 -67.91 1.87 Allowed Glycine 0 C--N 1.333 0.382 0 C-N-CA 121.453 -0.403 . . . . 0.0 113.621 -173.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -56.12 -29.81 76.43 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.722 2.281 . . . . 0.0 112.903 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.0 -48.62 73.3 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.549 0.214 . . . . 0.0 110.928 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 102' ' ' THR . 69.9 mt -59.75 -44.13 93.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.706 -179.17 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 18.8 mtm180 -62.26 -51.53 67.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.585 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 27.0 m -62.49 -41.08 98.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.231 -176.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.434 ' CD1' ' HB2' ' A' ' 121' ' ' ALA . 64.5 t80 -61.17 -53.45 56.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.073 -179.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -57.7 -42.57 84.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.784 0.326 . . . . 0.0 111.376 -177.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 83.0 mt -70.26 -45.07 76.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.002 -178.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.677 ' HB3' HG12 ' A' ' 119' ' ' VAL . 35.0 tpp -66.68 -31.41 72.06 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.951 0.405 . . . . 0.0 110.64 -177.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.9 mm -69.29 -41.85 81.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.29 173.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -60.61 -42.5 99.25 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.274 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -81.69 -3.88 54.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.908 0.385 . . . . 0.0 110.867 178.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 55.29 48.98 18.05 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.003 174.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.564 ' HD3' ' SD ' ' A' ' 112' ' ' MET . 44.7 mtp85 -92.5 33.91 1.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.555 -178.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.456 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 48.7 mtm-85 59.48 47.01 11.53 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.789 171.401 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.677 HG12 ' HB3' ' A' ' 112' ' ' MET . 10.7 p -106.39 146.9 12.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.895 0.379 . . . . 0.0 111.426 -175.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -130.38 154.33 47.8 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 173.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.434 ' HB2' ' CD1' ' A' ' 109' ' ' TYR . . . -121.84 128.99 52.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.201 0.524 . . . . 0.0 111.91 -176.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -110.89 99.15 8.1 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 173.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 91.0 mt -103.91 120.78 41.73 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.977 0.418 . . . . 0.0 111.651 -171.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 65.1 mt -108.53 139.5 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.425 175.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -102.49 178.07 4.69 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.951 0.405 . . . . 0.0 111.109 -177.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 22.7 m . . . . . 0 C--N 1.324 -0.537 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.699 179.109 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 120.47 0.176 . . . . 0.0 110.619 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 56.38 -160.84 0.2 Allowed 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.596 -175.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -82.75 73.4 9.79 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.236 0.541 . . . . 0.0 110.532 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.9 mtp85 60.75 11.57 3.25 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.012 -0.995 . . . . 0.0 113.039 174.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.5 m -158.52 149.32 20.36 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -68.88 154.29 42.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.803 0.335 . . . . 0.0 110.569 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.412 ' H ' HG13 ' A' ' 7' ' ' ILE . 2.6 pp -75.77 145.78 78.77 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.538 178.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -59.07 131.72 43.12 Favored 'Trans proline' 0 C--O 1.233 0.261 0 C-N-CA 122.782 2.321 . . . . 0.0 112.777 -177.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -103.64 140.26 37.81 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 176.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.455 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 57.2 m-85 -84.26 107.61 11.48 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.157 -179.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.624 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 7.9 Cg_endo -87.05 101.01 0.53 Allowed 'Trans proline' 0 N--CA 1.452 -0.934 0 C-N-CA 123.218 2.612 . . . . 0.0 112.412 -174.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.434 ' HD2' ' O ' ' A' ' 12' ' ' ARG . 6.9 tmm_? 61.4 89.48 0.08 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.681 0.753 . . . . 0.0 110.858 179.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.515 HG22 ' H ' ' A' ' 15' ' ' ALA . 29.4 m -114.14 136.7 52.65 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.325 -178.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -104.33 -5.02 22.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.093 0.473 . . . . 0.0 111.023 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.515 ' H ' HG22 ' A' ' 13' ' ' THR . . . -105.57 110.1 22.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.541 -176.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 57.0 mt -108.47 137.68 39.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 173.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -142.19 150.63 41.27 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.881 -173.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 25' ' ' TYR . . . 52.89 84.57 0.05 Allowed 'General case' 0 N--CA 1.465 0.308 0 O-C-N 124.287 0.992 . . . . 0.0 112.775 174.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.757 ' HH ' HG11 ' A' ' 126' ' ' VAL . 52.7 t80 -107.54 131.61 54.15 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.364 177.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 148.79 -104.57 0.28 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.471 177.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -75.24 116.56 16.1 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.965 0.412 . . . . 0.0 110.033 -177.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.47 -1.27 62.02 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.479 -175.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.06 -113.53 4.31 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.066 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -111.57 98.18 7.26 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.458 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 83.7 t80 -92.72 93.41 8.45 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.404 0.621 . . . . 0.0 110.022 -178.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -142.69 135.41 27.99 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.336 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 60.67 83.23 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.03 0.831 . . . . 0.0 112.577 175.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.4 -69.65 2.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.828 -0.701 . . . . 0.0 114.094 170.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.2 tpt -136.23 156.64 48.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.84 0.32 . . . . 0.0 111.242 -171.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.7 m -63.27 138.73 58.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.162 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -119.78 107.41 13.15 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -116.23 175.42 5.56 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.716 0.293 . . . . 0.0 111.098 -176.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.99 -114.12 4.6 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 -176.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.484 ' OG ' ' HB3' ' A' ' 45' ' ' TRP . 7.7 p -141.88 133.08 26.31 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 175.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 97.6 mt -114.13 136.86 52.47 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.047 -176.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.589 ' HG ' ' HB2' ' A' ' 45' ' ' TRP . 97.4 mt -106.26 98.57 8.23 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.963 176.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.507 ' HB2' ' HB2' ' A' ' 121' ' ' ALA . 90.0 m-85 -78.34 96.76 5.39 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.7 mt -107.65 156.49 37.87 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.41 -177.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -57.12 -29.46 83.37 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.598 2.199 . . . . 0.0 112.097 175.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -70.92 -56.19 6.78 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.441 177.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.624 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -169.82 172.97 6.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.042 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.9 t -90.05 101.71 12.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 175.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -103.03 165.17 11.18 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.679 -176.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.03 141.51 15.56 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.101 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.589 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 6.5 t90 -100.6 153.88 19.04 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -100.29 22.69 11.15 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.326 0.584 . . . . 0.0 111.338 -172.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.422 HG12 ' HB2' ' A' ' 52' ' ' GLN . 71.5 t -102.88 129.77 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.13 177.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.6 m -93.38 -42.04 9.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.765 -174.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -139.2 163.68 44.19 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.919 -174.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.428 ' C ' ' H ' ' A' ' 52' ' ' GLN . 53.2 Cg_exo -56.51 165.88 4.08 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.647 2.232 . . . . 0.0 112.305 174.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 71.29 -21.57 0.2 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.53 0.732 . . . . 0.0 112.196 -177.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.428 ' H ' ' C ' ' A' ' 50' ' ' PRO . 49.2 mt-30 -76.88 -5.92 50.36 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.114 0.483 . . . . 0.0 110.26 173.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.413 HD12 HD13 ' A' ' 124' ' ' ILE . 52.6 mt -77.8 86.79 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.548 0.69 . . . . 0.0 109.958 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -108.84 169.99 8.32 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.448 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.3 mtm-85 -59.59 -32.74 70.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.702 0.287 . . . . 0.0 110.806 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -76.67 -28.94 56.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.038 178.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.8 m -73.54 -20.42 60.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.244 0.545 . . . . 0.0 110.176 178.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.6 mt -88.61 19.76 3.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.675 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -49.81 -60.58 2.77 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.64 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -66.56 -19.56 65.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 -176.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.8 t -74.86 -52.58 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.293 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -63.55 -34.41 77.74 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.163 0.506 . . . . 0.0 110.432 176.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -59.63 -36.11 75.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.372 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -111.69 14.99 21.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.042 -177.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.3 -9.04 36.94 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -175.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -71.84 -26.65 62.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.029 0.442 . . . . 0.0 110.466 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.61 1.98 41.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.662 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.3 mt -105.51 115.23 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.851 -176.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.441 ' HB3' ' HB2' ' A' ' 118' ' ' ARG . 10.6 t70 -96.32 -47.67 5.91 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.39 175.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.9 m -117.29 133.97 55.35 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.11 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 55.3 tp -119.66 111.34 17.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.926 0.393 . . . . 0.0 110.199 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 61.9 mt -93.75 117.56 37.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.031 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 87.5 t -101.81 111.06 30.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.815 0.341 . . . . 0.0 110.383 177.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -96.33 108.21 3.64 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 176.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 22.1 p -84.41 7.2 20.42 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -173.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.52 -115.65 4.36 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.711 -0.757 . . . . 0.0 113.312 174.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.17 -22.24 18.57 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -172.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -127.5 155.73 43.28 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -178.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.4 t -90.83 104.42 15.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.058 0.456 . . . . 0.0 111.369 -175.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.426 ' O ' HG22 ' A' ' 99' ' ' THR . 74.8 t90 -97.9 113.82 25.74 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 174.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 7.4 tp -86.98 125.47 40.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 120.977 0.418 . . . . 0.0 110.639 -177.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.14 132.29 93.78 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.418 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.88 149.86 40.1 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.927 2.418 . . . . 0.0 112.088 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 -50.94 -49.36 59.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.93 -176.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -61.82 -46.18 90.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.567 0.222 . . . . 0.0 111.094 -177.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.57 -43.86 98.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.983 0.42 . . . . 0.0 110.673 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.647 ' HG3' HD23 ' A' ' 97' ' ' LEU . 50.8 ttt180 -64.58 -40.46 95.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.428 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -73.31 -35.06 66.02 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.256 -176.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.44 -44.07 92.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.717 177.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.776 HD12 HD21 ' A' ' 97' ' ' LEU . 89.8 mt -63.6 -35.97 82.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.616 178.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -60.88 -33.37 73.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.277 175.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -71.31 -15.97 75.15 Favored Glycine 0 N--CA 1.452 -0.248 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.542 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.414 ' O ' ' HB2' ' A' ' 94' ' ' ASN . 10.3 t -94.61 3.37 9.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 177.21 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 93' ' ' VAL . 45.2 m-80 71.32 17.96 5.74 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.264 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 58.1 t -92.54 117.97 37.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.391 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.8 t -73.6 100.98 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.03 178.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.776 HD21 HD12 ' A' ' 90' ' ' LEU . 40.6 tp -90.17 130.56 36.3 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.158 -178.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -137.87 133.8 34.3 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 173.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.426 HG22 ' O ' ' A' ' 80' ' ' TRP . 22.8 m -106.13 123.99 48.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.268 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.507 ' SD ' ' HB2' ' A' ' 104' ' ' PRO . 40.6 ttm -146.64 165.69 28.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.09 -174.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -77.32 149.25 35.33 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 173.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.564 ' O ' HG13 ' A' ' 106' ' ' ILE . 5.9 m -54.03 -42.29 69.0 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -171.143 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -55.56 -67.37 2.25 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 121.051 -0.595 . . . . 0.0 113.217 -177.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.507 ' HB2' ' SD ' ' A' ' 100' ' ' MET . 32.3 Cg_exo -59.01 -27.85 86.2 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.531 2.154 . . . . 0.0 112.059 177.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.08 -40.69 94.99 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.522 177.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.564 HG13 ' O ' ' A' ' 102' ' ' THR . 88.8 mt -59.07 -45.99 92.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.314 176.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.417 ' O ' HG13 ' A' ' 111' ' ' ILE . 83.9 mtt180 -63.6 -50.77 68.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.052 178.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.501 HG21 ' HE2' ' A' ' 112' ' ' MET . 24.9 m -62.0 -37.61 85.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.85 0.357 . . . . 0.0 110.967 -178.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -61.76 -47.29 85.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.458 176.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -59.58 -29.1 67.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.145 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 107' ' ' ARG . 78.1 mt -77.57 -51.88 17.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.03 178.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.501 ' HE2' HG21 ' A' ' 108' ' ' THR . 65.5 mtm -77.58 -20.38 54.11 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -173.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 10.1 tp -63.94 -35.27 72.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.754 0.311 . . . . 0.0 110.511 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -87.21 -23.01 42.29 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.637 -0.792 . . . . 0.0 111.758 177.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -72.08 -70.6 0.33 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.77 0.319 . . . . 0.0 110.705 -178.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.443 ' O ' ' HG3' ' A' ' 118' ' ' ARG . 2.9 ptp180 -99.21 -28.09 13.5 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -175.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.6 4.52 3.39 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 122.591 0.356 . . . . 0.0 111.666 -177.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' A' ' 116' ' ' ARG . 34.3 mtt180 -108.72 26.41 10.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.209 0.528 . . . . 0.0 110.137 -178.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 7.2 p -105.59 132.4 52.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.984 -174.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -115.84 136.23 53.24 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.631 177.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.507 ' HB2' ' HB2' ' A' ' 37' ' ' PHE . . . -114.51 118.11 32.85 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.982 0.42 . . . . 0.0 111.14 -177.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -104.12 96.11 6.43 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 175.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 90.3 mt -109.09 126.23 52.97 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.065 -174.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.413 HD13 HD12 ' A' ' 53' ' ' ILE . 57.7 mt -101.5 140.29 20.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.841 177.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.28 151.73 36.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.887 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.757 HG11 ' HH ' ' A' ' 19' ' ' TYR . 22.7 m -66.29 135.53 94.92 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.612 -178.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 126' ' ' VAL . 6.5 Cg_exo -73.57 80.6 1.97 Allowed 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.751 2.3 . . . . 0.0 111.025 174.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 41.9 tp -67.71 -17.14 64.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.717 -178.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.434 ' H ' ' HG3' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -91.98 5.44 50.1 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.052 179.636 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 15.6 p80 46.82 24.31 0.34 Allowed 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.563 1.145 . . . . 0.0 112.87 175.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -92.98 107.35 19.15 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.966 0.412 . . . . 0.0 110.656 -174.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 12.5 p80 -129.02 -4.12 5.07 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.474 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 70.17 176.63 0.28 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.37 177.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -168.27 140.95 3.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.778 -0.647 . . . . 0.0 109.741 178.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 9.3 p80 . . . . . 0 C--O 1.247 0.945 0 CA-C-O 119.302 -0.38 . . . . 0.0 110.245 175.627 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.7 mtp . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 58.79 -162.62 0.23 Allowed 'General case' 0 C--O 1.235 0.292 0 O-C-N 123.591 0.557 . . . . 0.0 110.864 -176.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -117.78 136.18 53.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.357 178.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.4 ttt85 -60.09 106.83 0.55 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.532 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 p -172.3 -42.03 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.234 -176.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.413 ' HB2' ' H ' ' A' ' 7' ' ' ILE . 27.3 mt-10 -95.2 -97.53 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.087 -175.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.54 HG22 ' HA ' ' A' ' 11' ' ' PRO . 52.5 mt 56.12 84.29 0.21 Allowed Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.818 -176.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -77.53 73.13 5.72 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 123.15 2.567 . . . . 0.0 112.371 -176.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -173.56 -81.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -157.24 99.76 1.94 Allowed Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 173.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.54 ' HA ' HG22 ' A' ' 7' ' ' ILE . 88.4 Cg_exo -47.42 -55.68 3.73 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.973 2.449 . . . . 0.0 113.136 -174.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.486 ' HB2' ' O ' ' A' ' 11' ' ' PRO . 21.6 ttm180 169.25 85.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.287 -0.869 . . . . 0.0 108.675 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.4 t -143.77 127.19 16.82 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.273 0.559 . . . . 0.0 111.127 -173.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -106.44 64.54 0.66 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 173.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.46 102.52 15.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.362 -171.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.779 HG21 HD11 ' A' ' 106' ' ' ILE . 35.5 mm -112.09 99.38 8.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 173.226 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -62.9 -56.58 16.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.075 0.464 . . . . 0.0 109.912 -177.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -170.23 174.33 5.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.078 177.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 48.3 p90 -144.63 157.49 44.18 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.834 0.35 . . . . 0.0 110.225 176.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 148.82 108.53 0.49 Allowed Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.936 -0.65 . . . . 0.0 111.495 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.523 ' HA ' HD22 ' A' ' 128' ' ' LEU . 66.4 tttm 70.01 124.72 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.381 0.61 . . . . 0.0 110.951 -176.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.37 -73.46 1.68 Allowed Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.751 -178.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 177.08 -121.57 0.79 Allowed Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.485 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -114.06 137.74 51.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.654 0.264 . . . . 0.0 110.568 -177.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -104.18 109.24 20.98 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.157 177.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.503 ' HE1' ' HB2' ' A' ' 31' ' ' HIS . 14.4 p90 -140.86 138.02 33.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.219 -178.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 59.89 15.21 4.75 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 176.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.39 -0.41 63.58 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.388 -178.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 65.3 mtt -102.66 131.6 49.34 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.691 0.281 . . . . 0.0 110.932 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.7 m -94.92 90.98 6.19 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 174.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.503 ' HB2' ' HE1' ' A' ' 26' ' ' PHE . 25.7 t60 -89.3 110.02 20.84 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.19 -173.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -82.01 139.61 34.42 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.945 174.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.12 -123.62 6.78 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.292 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.4 p -133.76 155.42 49.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.093 0.473 . . . . 0.0 111.438 -178.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 49.4 mt -122.91 154.47 38.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.47 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 tt -128.39 97.07 4.61 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.512 ' HB2' ' HB1' ' A' ' 121' ' ' ALA . 78.6 m-85 -85.55 125.16 32.88 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.377 -178.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 71.2 mt -116.37 159.6 39.28 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.712 177.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -64.58 -17.11 58.51 Favored 'Trans proline' 0 CA--C 1.529 0.272 0 C-N-CA 122.573 2.182 . . . . 0.0 112.849 -178.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -100.13 -25.05 14.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.712 -0.222 . . . . 0.0 111.588 -176.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -175.97 172.87 2.36 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.87 0.366 . . . . 0.0 111.089 -178.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.0 t -94.55 128.59 45.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.039 177.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 69.9 m95 -126.37 -179.18 4.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.896 0.379 . . . . 0.0 110.313 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -115.46 160.18 13.41 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 121.028 -0.606 . . . . 0.0 111.805 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -112.99 169.51 8.87 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -118.47 23.37 11.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.573 0.702 . . . . 0.0 111.136 -171.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 68.0 t -113.62 103.16 14.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.139 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.9 m -81.28 -34.99 31.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.258 -177.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -124.28 130.12 24.46 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.325 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.27 91.8 0.22 Allowed 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.034 2.49 . . . . 0.0 113.42 -175.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -171.89 -46.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.03 174.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -80.81 42.31 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.814 -177.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 51.6 mt -81.95 80.61 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 171.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -109.11 168.66 9.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.449 -173.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.4 ttp180 -50.31 -37.52 36.88 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.128 0.571 . . . . 0.0 111.698 177.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -73.01 -34.01 66.11 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.853 0.358 . . . . 0.0 111.321 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.6 m -70.45 -24.44 62.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.386 0.612 . . . . 0.0 110.121 177.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.491 HD12 HD22 ' A' ' 90' ' ' LEU . 76.3 mt -99.74 19.84 15.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.446 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -56.29 -42.9 78.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.304 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 73.6 mtm-85 -75.47 -14.61 60.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.636 0.255 . . . . 0.0 111.233 179.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 58.4 t -82.2 -47.81 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.152 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -64.66 -33.79 76.77 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.018 0.437 . . . . 0.0 110.566 177.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -70.37 -48.67 55.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.328 -178.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -95.35 29.23 2.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.062 0.458 . . . . 0.0 110.875 -176.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.03 7.81 1.89 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.574 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -78.08 -36.79 47.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.376 0.608 . . . . 0.0 109.489 174.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.81 -22.88 14.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.9 178.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 62.7 mt -84.58 94.55 3.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.046 0.45 . . . . 0.0 110.784 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.62 ' HB2' ' HD3' ' A' ' 118' ' ' ARG . 7.8 t70 -94.53 -60.49 1.7 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.791 174.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.5 m -104.51 124.09 48.65 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.792 177.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 65.5 tp -116.44 111.89 20.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.784 0.326 . . . . 0.0 110.821 -177.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 62.5 mt -97.31 120.11 46.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.198 178.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.7 t -101.3 122.88 53.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -104.27 98.4 1.54 Allowed Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.385 -176.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.1 p -120.19 97.8 5.76 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.924 0.392 . . . . 0.0 110.793 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.38 8.91 77.4 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.259 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.27 -34.83 15.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.849 0.357 . . . . 0.0 110.852 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -172.94 160.83 4.37 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 -178.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.1 t -86.9 97.71 6.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.913 0.387 . . . . 0.0 110.098 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 61.7 t90 -82.83 118.69 23.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.458 -178.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 66.4 mt -103.79 121.92 55.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.239 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.15 133.18 78.53 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_exo -65.22 165.1 23.09 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.815 2.343 . . . . 0.0 111.363 176.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.576 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 66.8 mtm-85 -64.72 -43.42 93.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.642 -173.022 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -60.74 -46.84 88.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.803 0.335 . . . . 0.0 110.857 -177.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.8 tp -67.81 -38.46 83.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 179.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 31.4 ttp85 -64.89 -43.77 91.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.826 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.576 ' HG2' ' O ' ' A' ' 84' ' ' ARG . 25.7 mm-40 -63.6 -32.44 73.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.933 0.397 . . . . 0.0 110.414 177.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.54 -51.71 47.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.688 177.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.491 HD22 HD12 ' A' ' 58' ' ' LEU . 74.3 mt -67.17 -54.9 16.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.031 -178.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.458 ' HA ' ' O ' ' A' ' 95' ' ' VAL . 18.6 ttt85 -74.15 -19.83 60.43 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.936 0.398 . . . . 0.0 110.738 -173.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -68.84 -33.34 75.1 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.101 177.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.474 HG23 HG22 ' A' ' 95' ' ' VAL . 27.3 m -90.79 26.54 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.841 0.353 . . . . 0.0 110.409 177.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.429 ' HB3' ' O ' ' A' ' 93' ' ' VAL . 7.0 t30 85.29 -24.24 0.14 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.968 174.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.474 HG22 HG23 ' A' ' 93' ' ' VAL . 79.3 t -60.44 108.46 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.376 0.608 . . . . 0.0 111.512 -175.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.1 t -80.02 102.51 6.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.717 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 52.2 tp -78.78 119.68 22.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.498 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -128.52 116.23 19.36 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.19 177.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.9 p -97.43 139.46 33.33 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.015 0.436 . . . . 0.0 111.384 -178.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 52.9 tpp -152.3 164.01 38.29 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.114 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -75.7 155.52 35.6 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 175.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.41 ' O ' HG13 ' A' ' 106' ' ' ILE . 31.6 m -49.07 -51.45 31.35 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -174.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.74 -68.21 1.82 Allowed Glycine 0 CA--C 1.522 0.5 0 C-N-CA 121.231 -0.509 . . . . 0.0 113.298 -177.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -57.66 -27.79 78.83 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 122.7 2.267 . . . . 0.0 112.95 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.87 -47.87 73.45 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.583 0.23 . . . . 0.0 110.713 178.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.779 HD11 HG21 ' A' ' 16' ' ' ILE . 92.3 mt -60.33 -47.03 94.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.52 179.073 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 53.7 ttm-85 -58.64 -51.94 67.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 45.8 m -64.15 -39.6 94.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -64.73 -39.22 93.28 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.282 -0.167 . . . . 0.0 110.852 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.8 -41.35 91.02 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.999 0.428 . . . . 0.0 110.743 177.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 69.3 mt -71.7 -39.54 69.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.395 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.728 ' HE3' ' HA ' ' A' ' 112' ' ' MET . 2.5 tpt -65.39 -51.96 56.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.519 -178.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 11.4 tp -72.23 -17.9 19.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.895 0.379 . . . . 0.0 111.219 -175.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -66.82 -14.15 62.58 Favored Glycine 0 CA--C 1.518 0.254 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.891 -178.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -101.08 6.87 43.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.803 -0.234 . . . . 0.0 110.572 178.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 13.2 ttp85 56.21 78.72 0.19 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.771 0.796 . . . . 0.0 110.083 -175.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -122.54 151.05 41.76 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.184 -174.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.62 ' HD3' ' HB2' ' A' ' 69' ' ' ASP . 10.0 ptp180 -69.59 78.69 0.42 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.375 0.607 . . . . 0.0 110.793 174.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.516 HG21 ' HG2' ' A' ' 112' ' ' MET . 9.7 p -138.58 146.54 26.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.414 -176.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -128.86 155.55 45.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.347 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.512 ' HB1' ' HB2' ' A' ' 37' ' ' PHE . . . -130.62 120.37 23.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.918 0.389 . . . . 0.0 111.522 -178.018 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -105.5 97.57 7.39 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 175.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 91.5 mt -103.3 126.86 50.69 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.048 -173.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 55.1 mt -111.47 138.8 38.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.975 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.89 156.66 38.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.031 0.443 . . . . 0.0 111.161 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 42.6 t -96.59 126.68 42.43 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.421 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.45 ' HB2' ' HB2' ' A' ' 130' ' ' HIS . 18.2 Cg_endo -58.64 151.0 66.11 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.862 2.374 . . . . 0.0 111.45 175.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.523 HD22 ' HA ' ' A' ' 21' ' ' LYS . 86.4 mt -85.07 -26.85 26.71 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.426 -172.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.86 51.71 0.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.253 0.549 . . . . 0.0 111.44 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.45 ' HB2' ' HB2' ' A' ' 127' ' ' PRO . 6.9 m-70 -138.91 143.36 38.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.637 178.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -150.19 169.22 21.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.464 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -100.32 175.65 5.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.006 174.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -73.46 77.8 1.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 170.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -145.28 99.43 3.31 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.633 -175.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.653 -0.689 . . . . 0.0 109.731 -179.032 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.483 1.193 0 CA-C-O 120.446 0.165 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.33 -80.29 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.763 0.316 . . . . 0.0 111.124 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -160.07 -77.9 0.06 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -90.12 -54.33 4.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.499 173.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m 60.86 -87.26 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.328 0 O-C-N 123.861 0.725 . . . . 0.0 112.129 173.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -90.8 91.06 8.2 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.309 0.576 . . . . 0.0 110.598 -177.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.446 ' O ' HD12 ' A' ' 7' ' ' ILE . 2.6 pp -86.89 145.26 38.24 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.45 -177.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -62.95 122.46 10.73 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.863 2.375 . . . . 0.0 111.867 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -81.93 113.69 20.02 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.095 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.6 ' HE1' ' HA3' ' A' ' 28' ' ' GLY . 66.6 m-85 -62.87 123.61 80.41 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.018 -177.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -82.01 63.5 8.33 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.965 2.444 . . . . 0.0 112.416 -177.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 66.22 92.76 0.07 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.215 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.5 m -91.61 103.62 16.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.803 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -100.89 -4.24 28.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.911 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.03 107.56 14.68 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.797 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.4 mt -118.58 139.62 45.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.419 -178.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -151.51 -169.31 3.34 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 178.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 25' ' ' TYR . . . 55.36 31.32 16.52 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.334 0.588 . . . . 0.0 111.609 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -104.68 130.38 52.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.267 -179.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 165.49 -40.33 0.28 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.1 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -137.9 143.47 40.85 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.59 -52.69 4.49 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.44 177.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.03 -121.14 0.99 Allowed Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 111.636 -0.586 . . . . 0.0 111.636 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -127.19 116.8 21.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.919 0.39 . . . . 0.0 110.791 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.414 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 64.2 t80 -111.46 98.82 7.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.89 174.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -116.11 170.47 8.48 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.981 178.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.4 110.62 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 O-C-N 123.697 0.623 . . . . 0.0 110.907 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.6 ' HA3' ' HE1' ' A' ' 10' ' ' PHE . . . 128.67 -108.63 0.92 Allowed Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.761 -177.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.541 ' HB2' ' HZ ' ' A' ' 10' ' ' PHE . 26.4 mmt -118.89 142.84 47.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.949 0.404 . . . . 0.0 110.862 -175.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.7 p -83.06 152.85 25.18 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.074 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.646 ' HB2' HD23 ' A' ' 35' ' ' LEU . 68.9 m80 -145.25 164.31 31.77 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -109.83 -71.53 0.76 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -174.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.81 -80.2 0.24 Allowed Glycine 0 N--CA 1.455 -0.061 0 CA-C-N 115.857 -0.61 . . . . 0.0 114.091 -168.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.571 ' OG ' ' HB3' ' A' ' 45' ' ' TRP . 7.8 p -145.6 150.07 35.7 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.174 0.511 . . . . 0.0 111.572 -175.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.646 HD23 ' HB2' ' A' ' 31' ' ' HIS . 3.6 mm? -121.64 151.68 40.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.777 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.7 mt -112.29 96.39 5.99 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.698 177.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.517 ' HB2' ' HB2' ' A' ' 121' ' ' ALA . 85.8 m-85 -84.24 95.45 8.68 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.106 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.0 mt -85.57 164.03 41.89 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.508 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -71.65 17.07 0.31 Allowed 'Trans proline' 0 CA--C 1.533 0.45 0 C-N-CA 123.005 2.47 . . . . 0.0 113.804 -175.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -154.15 -32.14 0.11 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -144.34 156.52 44.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.721 0.296 . . . . 0.0 110.913 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.3 t -105.42 116.94 50.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.534 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 35.9 m95 -108.7 174.33 5.92 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.751 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -105.07 150.25 16.99 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.452 176.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.571 ' HB3' ' OG ' ' A' ' 34' ' ' SER . 5.1 t90 -106.58 162.95 13.29 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -110.18 25.56 11.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.348 0.594 . . . . 0.0 110.465 -172.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.408 HG12 ' HB3' ' A' ' 52' ' ' GLN . 92.6 t -113.68 135.42 53.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.583 -178.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 33.1 m -89.51 -38.09 14.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.295 -177.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.61 ' HB2' ' HD2' ' A' ' 50' ' ' PRO . 23.6 pttm -152.83 164.99 18.56 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.682 -0.236 . . . . 0.0 110.689 -177.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.61 ' HD2' ' HB2' ' A' ' 49' ' ' LYS . 11.1 Cg_endo -55.09 166.39 2.25 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.97 2.446 . . . . 0.0 112.444 176.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.501 ' HA ' ' CZ2' ' A' ' 80' ' ' TRP . 34.5 tt0 75.26 -27.39 0.19 Allowed 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.475 0.71 . . . . 0.0 111.062 -178.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.438 ' H ' ' C ' ' A' ' 50' ' ' PRO . 61.8 tt0 -77.83 -2.09 34.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.669 0.747 . . . . 0.0 109.936 174.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 57.2 mt -76.05 110.59 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.294 178.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.443 ' H ' ' HB2' ' A' ' 57' ' ' SER . 2.8 p30 -145.27 -173.32 4.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.796 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.5 ttp-105 -62.99 -36.39 83.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.036 -173.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -78.31 -39.04 40.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.06 0.457 . . . . 0.0 110.232 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.443 ' HB2' ' H ' ' A' ' 54' ' ' ASP . 32.8 m -67.19 -20.81 65.77 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.904 178.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.506 HD11 HD12 ' A' ' 86' ' ' LEU . 85.5 mt -97.17 17.32 17.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.436 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -55.46 -49.74 71.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.436 0.16 . . . . 0.0 111.407 -178.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.7 ttm-85 -62.59 -24.08 67.37 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.982 0.42 . . . . 0.0 110.82 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 65.2 t -77.18 -47.93 25.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.118 178.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.436 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 66.7 m-85 -64.95 -29.7 70.65 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.128 0.49 . . . . 0.0 110.505 176.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -62.19 -30.76 71.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.09 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -123.31 23.78 8.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.67 -177.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.436 ' HB1' ' HA ' ' A' ' 62' ' ' PHE . . . -62.69 -23.93 67.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.999 -175.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -66.87 -18.98 65.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.962 0.41 . . . . 0.0 111.134 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -105.69 6.7 32.15 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.758 -179.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 58.6 mt -112.67 130.16 66.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.245 0.545 . . . . 0.0 111.097 -176.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.506 ' CB ' ' HB2' ' A' ' 118' ' ' ARG . 3.3 t70 -114.7 -47.72 2.88 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.844 178.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 63.8 m -124.66 126.6 45.99 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.102 177.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 57.8 tp -110.1 113.02 25.38 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 62.1 mt -103.28 111.17 32.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.816 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.0 t -94.69 114.9 32.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.061 -178.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -82.86 106.12 2.72 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 175.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.577 ' HB ' ' O ' ' A' ' 78' ' ' ASP . 0.7 OUTLIER -87.78 -1.04 57.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.19 0.519 . . . . 0.0 111.674 -173.155 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.43 -113.11 4.56 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.234 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -109.98 6.26 22.97 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -175.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.577 ' O ' ' HB ' ' A' ' 75' ' ' THR . 35.7 t70 -147.07 151.36 36.74 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.2 t -90.91 108.14 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.928 0.394 . . . . 0.0 110.814 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.501 ' CZ2' ' HA ' ' A' ' 51' ' ' GLU . 40.6 t90 -88.06 140.05 29.89 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 175.018 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 63.2 mt -87.2 100.58 10.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.1 0.476 . . . . 0.0 110.059 -178.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.4 ' HA ' ' HD3' ' A' ' 83' ' ' PRO . . . -58.71 139.99 85.83 Favored Pre-proline 0 C--O 1.236 0.368 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.553 177.081 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.474 ' HD3' ' CH2' ' A' ' 80' ' ' TRP . 50.3 Cg_exo -53.74 134.45 58.7 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.304 2.669 . . . . 0.0 113.103 -175.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -55.12 -46.95 75.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.486 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.65 -46.12 91.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.109 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.506 HD12 HD11 ' A' ' 58' ' ' LEU . 43.3 tp -61.64 -39.93 93.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.505 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 30.0 ttm105 -62.08 -45.54 93.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.567 176.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -68.66 -27.47 66.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.74 -49.27 66.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.949 0.404 . . . . 0.0 110.362 176.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.682 ' HB3' ' HB ' ' A' ' 95' ' ' VAL . 95.8 mt -64.54 -42.26 95.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.151 0.501 . . . . 0.0 110.239 176.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 91' ' ' ARG . 0.1 OUTLIER -62.66 -30.36 71.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.603 178.068 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -67.73 -29.47 73.83 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.099 177.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 40.6 t -83.28 -81.43 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.71 0.291 . . . . 0.0 110.31 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -168.1 15.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.267 0.556 . . . . 0.0 110.143 -178.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.682 ' HB ' ' HB3' ' A' ' 90' ' ' LEU . 48.8 t -114.81 119.52 61.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.914 0.388 . . . . 0.0 111.868 -168.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.6 t -84.62 123.85 39.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 171.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.2 tp -99.89 107.92 20.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.956 0.408 . . . . 0.0 111.64 -174.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -114.93 142.84 46.06 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.423 HG21 ' OG1' ' A' ' 75' ' ' THR . 1.1 m -129.32 127.65 41.54 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 -177.147 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 24.3 ptp -157.79 178.3 10.4 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.579 0.228 . . . . 0.0 110.898 -176.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 -65.47 160.65 21.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.848 0.356 . . . . 0.0 111.229 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.431 ' O ' HG13 ' A' ' 106' ' ' ILE . 0.7 OUTLIER -63.19 -40.56 97.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.031 -177.596 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -54.45 -64.17 4.54 Favored Glycine 0 CA--C 1.522 0.486 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.805 178.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -57.04 -33.51 95.85 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.79 2.327 . . . . 0.0 112.793 177.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.65 -44.62 89.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.747 0.308 . . . . 0.0 111.209 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 102' ' ' THR . 79.5 mt -64.0 -40.26 88.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.211 0.529 . . . . 0.0 109.906 176.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.411 ' O ' HG13 ' A' ' 111' ' ' ILE . 27.5 ttm-85 -65.88 -46.25 79.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.066 -178.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.4 p -66.41 -40.43 89.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.561 -177.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -60.95 -45.68 93.75 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 175.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -55.52 -33.48 63.82 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.117 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 107' ' ' ARG . 83.2 mt -79.54 -53.27 13.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.225 179.029 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 65.8 mtt -64.98 -32.79 74.69 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -173.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 11.0 tp -66.2 -24.43 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.026 0.441 . . . . 0.0 110.748 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -70.37 -30.17 69.45 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.838 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -89.59 2.85 54.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.802 0.334 . . . . 0.0 110.828 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' ' 116' ' ' ARG . 20.4 ttm-85 59.68 32.89 21.73 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.65 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -81.92 145.49 30.29 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 174.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.506 ' HB2' ' CB ' ' A' ' 69' ' ' ASP . 97.5 mtt180 -70.85 75.69 0.62 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.39 0.614 . . . . 0.0 110.886 -178.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 7.2 p -106.49 129.22 60.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.651 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -116.86 121.39 41.35 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.627 177.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.517 ' HB2' ' HB2' ' A' ' 37' ' ' PHE . . . -101.78 109.6 21.4 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.086 0.469 . . . . 0.0 110.933 -178.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -93.96 95.57 9.15 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.158 176.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 80.3 mt -100.64 114.96 29.1 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.121 -173.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 57.0 mt -97.91 128.37 49.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.815 176.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -73.39 148.05 43.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.318 178.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 18.9 m -64.29 134.95 96.14 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.031 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -74.0 2.95 5.48 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.806 2.337 . . . . 0.0 112.294 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 94.5 mt 67.4 108.47 0.04 OUTLIER 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.943 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -73.44 -138.4 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.856 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.413 ' HD2' ' HA ' ' A' ' 133' ' ' HIS . 53.4 t60 -43.92 115.68 0.85 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.045 174.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -78.68 143.86 35.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.823 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 39.8 m80 59.36 70.14 0.67 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.293 0.568 . . . . 0.0 109.869 -172.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 130' ' ' HIS . 5.2 p80 -83.74 82.77 8.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.844 -175.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 81.2 t60 65.74 -78.49 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.993 177.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 . . . . . 0 C--O 1.245 0.865 0 CA-C-O 118.626 -0.702 . . . . 0.0 109.179 173.942 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.409 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 120.707 0.289 . . . . 0.0 111.122 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.69 177.43 7.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.671 0.272 . . . . 0.0 110.886 -177.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -77.08 86.0 3.57 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.245 0.545 . . . . 0.0 109.81 176.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.591 ' HD2' ' HG2' ' A' ' 6' ' ' GLU . 35.6 ttm180 -165.4 155.27 12.94 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.246 -175.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.4 t -84.26 78.39 9.8 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 169.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.591 ' HG2' ' HD2' ' A' ' 4' ' ' ARG . 36.2 mt-10 -76.02 -73.85 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.264 -170.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.1 pt -126.65 94.78 39.36 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-O 121.141 0.496 . . . . 0.0 110.969 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -72.85 77.48 2.29 Favored 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 123.043 2.495 . . . . 0.0 112.158 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.419 ' O ' ' HD3' ' A' ' 11' ' ' PRO . 32.7 m170 -116.74 159.11 22.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.006 177.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.429 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 89.6 m-85 -98.52 94.39 2.37 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 170.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 10' ' ' PHE . 6.1 Cg_exo -77.17 97.59 1.16 Allowed 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 123.077 2.518 . . . . 0.0 113.841 -167.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.469 ' HG2' ' O ' ' A' ' 39' ' ' PRO . 69.0 mtp85 53.84 33.53 17.28 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.418 169.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.9 t -90.84 118.09 29.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.612 0.72 . . . . 0.0 110.853 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -104.37 26.21 9.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.135 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.38 102.32 15.01 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.92 -176.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.474 HD12 HG23 ' A' ' 106' ' ' ILE . 63.9 mt -111.23 112.49 40.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.242 176.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -81.11 -45.9 15.75 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -174.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -143.51 127.91 17.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.813 0.339 . . . . 0.0 111.705 -177.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -111.04 124.03 51.36 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 172.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.95 140.73 10.09 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 -173.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.9 tttt 68.27 111.85 0.04 OUTLIER 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.435 0.636 . . . . 0.0 110.123 -172.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 75.24 11.31 84.2 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 120.827 -0.701 . . . . 0.0 111.859 -172.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.56 -105.53 2.74 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.75 -178.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -131.76 120.02 22.1 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 176.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.433 ' HD2' ' HG ' ' A' ' 30' ' ' SER . 15.2 t80 -100.84 101.33 12.14 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 178.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -102.65 177.22 4.92 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 175.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.95 93.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.941 0.4 . . . . 0.0 110.935 177.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 148.47 -75.93 0.26 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.558 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 23.1 ptp -148.14 168.03 23.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.737 0.303 . . . . 0.0 111.309 -177.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.433 ' HG ' ' HD2' ' A' ' 25' ' ' TYR . 11.9 m -87.89 123.18 32.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.457 176.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -124.96 105.79 9.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.658 0.266 . . . . 0.0 110.613 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -84.7 150.86 24.83 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 175.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 122.42 -103.64 0.85 Allowed Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 -177.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.1 t -153.26 143.58 22.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.834 0.35 . . . . 0.0 110.196 177.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 84.4 mt -130.37 136.74 49.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.352 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.58 101.6 9.99 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -83.04 107.3 15.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.489 -178.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.42 HD13 ' CD1' ' A' ' 43' ' ' TRP . 94.1 mt -103.33 155.4 36.81 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.688 176.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.469 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 52.8 Cg_exo -56.32 -23.73 47.78 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.775 2.317 . . . . 0.0 113.014 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -90.39 -53.91 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 0.0 111.132 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -150.79 159.05 44.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.84 0.353 . . . . 0.0 111.306 -176.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.9 t -90.59 113.64 26.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.924 176.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.42 ' CD1' HD13 ' A' ' 38' ' ' LEU . 98.1 m95 -106.24 160.52 15.28 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.915 0.388 . . . . 0.0 110.904 -178.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.56 132.13 11.06 Favored Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 175.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -103.17 132.48 49.4 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -93.47 63.12 3.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.355 0.598 . . . . 0.0 110.544 -173.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.51 HG12 ' HB3' ' A' ' 52' ' ' GLN . 78.3 t -137.71 137.04 45.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.747 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 28.2 m -91.51 -42.69 10.12 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.784 0.291 . . . . 0.0 111.784 -176.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.499 ' HE3' ' HB2' ' A' ' 51' ' ' GLU . 58.8 pttt -139.84 159.32 65.25 Favored Pre-proline 0 C--N 1.33 -0.266 0 O-C-N 122.278 -0.264 . . . . 0.0 111.19 -177.443 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.575 ' HB3' HG22 ' A' ' 75' ' ' THR . 39.8 Cg_exo -58.42 -27.23 81.0 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.097 2.532 . . . . 0.0 113.195 -179.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.499 ' HB2' ' HE3' ' A' ' 49' ' ' LYS . 48.9 mt-10 -76.58 -4.16 41.4 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.037 0.446 . . . . 0.0 111.13 -178.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.51 ' HB3' HG12 ' A' ' 47' ' ' VAL . 36.3 tt0 -97.68 8.51 44.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.447 0.641 . . . . 0.0 109.926 -178.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.461 HG21 HD22 ' A' ' 86' ' ' LEU . 74.1 mt -77.42 117.09 21.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.669 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -144.7 173.1 12.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.416 -178.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 76.4 mtm-85 -55.73 -37.07 67.97 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 122.558 0.343 . . . . 0.0 111.443 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -72.12 -33.1 67.54 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -177.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.8 p -85.64 -23.4 27.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.007 0.432 . . . . 0.0 110.426 178.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.404 HD13 HD23 ' A' ' 90' ' ' LEU . 91.9 mt -91.53 13.48 17.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.071 176.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -56.33 -38.1 70.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.674 0.273 . . . . 0.0 111.001 -178.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.6 -30.42 70.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.911 0.386 . . . . 0.0 110.604 177.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.6 t -72.26 -43.98 64.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.581 -179.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -70.82 -31.81 68.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.037 0.446 . . . . 0.0 110.836 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -78.06 -46.71 20.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.245 -178.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -94.76 26.72 3.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.209 0.528 . . . . 0.0 110.267 -176.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.89 -21.64 66.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.579 -174.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -70.96 -26.24 63.07 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.653 0.263 . . . . 0.0 111.669 -176.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -94.32 -6.92 43.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.434 -177.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 22.9 pt -120.81 114.87 45.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.612 0.72 . . . . 0.0 111.957 -176.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -91.05 -50.66 5.74 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.514 174.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.7 m -114.49 126.95 55.53 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.985 178.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -113.22 114.4 26.68 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.478 ' HA ' ' O ' ' A' ' 98' ' ' ASP . 58.0 mt -102.82 128.84 55.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.422 -179.072 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 62.8 t -111.72 124.23 68.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.36 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.456 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -93.97 95.36 1.93 Allowed Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 177.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.575 HG22 ' HB3' ' A' ' 50' ' ' PRO . 17.3 p -83.2 51.7 2.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.108 0.48 . . . . 0.0 112.141 -174.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.495 ' HA2' HG23 ' A' ' 126' ' ' VAL . . . 77.29 -128.48 8.99 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.756 177.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -110.28 18.63 19.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.988 0.423 . . . . 0.0 111.239 -176.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -150.63 162.64 40.28 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.3 t -94.47 96.56 6.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.008 0.433 . . . . 0.0 110.971 -177.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.532 ' O ' HG22 ' A' ' 99' ' ' THR . 81.1 t90 -80.29 121.41 25.62 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 175.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 7.8 tp -87.5 122.66 39.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.408 0.623 . . . . 0.0 110.72 -176.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.05 140.75 83.34 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.412 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_exo -56.76 146.17 79.1 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.562 2.174 . . . . 0.0 111.708 178.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -60.19 -37.78 81.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.884 -173.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -60.7 -40.52 92.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.89 0.376 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.461 HD22 HG21 ' A' ' 53' ' ' ILE . 58.0 tp -74.9 -37.42 62.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.838 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.56 ' HG3' HD21 ' A' ' 97' ' ' LEU . 8.1 ttp180 -67.79 -48.8 65.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.258 -178.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.78 -19.06 62.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.149 179.163 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.46 -45.25 84.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.842 0.353 . . . . 0.0 110.109 174.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.465 HD12 HD22 ' A' ' 97' ' ' LEU . 95.6 mt -66.67 -36.54 82.79 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.182 176.196 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -69.51 -20.19 63.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.596 178.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -59.3 -35.42 84.7 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.914 -0.585 . . . . 0.0 112.723 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -89.7 -85.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.993 177.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -160.0 14.05 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.861 0.362 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 58.8 t -95.15 114.07 30.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.927 0.394 . . . . 0.0 111.27 -172.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.9 t -87.95 109.68 19.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.608 174.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.56 HD21 ' HG3' ' A' ' 87' ' ' ARG . 55.7 tp -86.95 128.75 35.07 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.293 -176.335 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.478 ' O ' ' HA ' ' A' ' 72' ' ' ILE . 38.4 t70 -128.95 120.83 26.81 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.423 173.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.532 HG22 ' O ' ' A' ' 80' ' ' TRP . 12.0 m -105.29 130.57 53.39 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.435 -177.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.467 ' CG ' ' HB2' ' A' ' 104' ' ' PRO . 42.5 tpp -150.07 163.21 38.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.228 -175.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.432 ' HB2' ' HD2' ' A' ' 104' ' ' PRO . 58.3 mt-30 -66.24 152.46 44.83 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 173.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.428 ' O ' HG13 ' A' ' 106' ' ' ILE . 4.8 p -49.8 -49.55 48.31 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -175.324 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -53.79 -68.81 1.45 Allowed Glycine 0 CA--C 1.523 0.538 0 C-N-CA 121.312 -0.471 . . . . 0.0 113.201 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.467 ' HB2' ' CG ' ' A' ' 100' ' ' MET . 41.1 Cg_exo -57.9 -30.24 88.99 Favored 'Trans proline' 0 CA--C 1.532 0.401 0 C-N-CA 122.716 2.278 . . . . 0.0 113.008 178.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.44 -49.15 70.24 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.681 0.277 . . . . 0.0 110.722 178.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.474 HG23 HD12 ' A' ' 16' ' ' ILE . 84.0 mt -58.66 -43.31 87.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.182 177.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -58.39 -52.96 63.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.732 177.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 26.0 m -59.54 -42.79 93.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.755 -178.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -64.08 -48.87 74.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.195 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -63.95 -32.87 74.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.015 -175.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 81.8 mt -77.91 -44.18 28.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.993 0.425 . . . . 0.0 110.368 176.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.9 tpt -64.34 -36.66 84.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.24 -176.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.462 HD11 ' HA ' ' A' ' 117' ' ' ARG . 11.1 tp -68.45 -15.19 19.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.161 0.505 . . . . 0.0 110.59 -179.049 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -99.58 -5.52 55.45 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.049 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -111.62 -29.88 7.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.378 0.609 . . . . 0.0 110.632 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -163.36 90.39 0.65 Allowed 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -174.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.462 ' HA ' HD11 ' A' ' 113' ' ' ILE . 67.7 mtm-85 -64.92 74.92 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.419 178.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 24.2 mtt180 -156.75 29.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.142 178.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.1 p -126.64 146.64 32.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.331 -174.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -134.74 152.31 51.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.916 176.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -128.07 122.77 32.94 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.99 0.424 . . . . 0.0 111.412 -177.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -100.05 107.16 19.01 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.734 175.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.1 mt -100.0 124.4 45.32 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.992 0.425 . . . . 0.0 110.988 -176.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 62.2 mt -108.86 140.48 27.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.565 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -53.15 129.2 30.38 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -174.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.495 HG23 ' HA2' ' A' ' 76' ' ' GLY . 39.0 t -78.86 117.96 69.69 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.84 175.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -60.31 128.92 27.79 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.774 2.316 . . . . 0.0 112.363 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.417 ' C ' ' H ' ' A' ' 130' ' ' HIS . 7.3 mp -90.41 24.0 2.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.052 0.453 . . . . 0.0 109.844 179.166 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -74.35 21.93 0.1 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.729 -0.668 . . . . 0.0 112.192 -175.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.417 ' H ' ' C ' ' A' ' 128' ' ' LEU . 32.1 m170 -107.67 -73.75 0.68 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 172.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -81.29 69.56 7.94 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 173.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 175.47 -40.17 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.439 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -67.73 -52.67 34.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.345 -176.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -76.28 121.5 23.05 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.977 0.417 . . . . 0.0 110.034 177.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 4.9 t60 . . . . . 0 C--N 1.317 -0.833 0 CA-C-O 117.955 -1.022 . . . . 0.0 109.519 175.341 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 tmt? . . . . . 0 N--CA 1.48 1.044 0 CA-C-O 120.677 0.275 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.24 153.34 21.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.234 178.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -65.2 -20.17 66.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.59 -176.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.5 ttp85 -76.78 69.34 3.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.221 0.534 . . . . 0.0 110.491 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 m -101.49 -57.14 2.14 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 173.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.493 ' HG3' HG13 ' A' ' 7' ' ' ILE . 9.0 tp10 68.87 130.99 0.03 OUTLIER 'General case' 0 C--O 1.232 0.179 0 CA-C-N 114.733 -1.121 . . . . 0.0 111.512 178.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.493 HG13 ' HG3' ' A' ' 6' ' ' GLU . 32.4 mt 64.94 98.13 0.04 OUTLIER Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.287 -175.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -74.95 12.0 1.3 Allowed 'Trans proline' 0 CA--C 1.531 0.375 0 C-N-CA 123.244 2.629 . . . . 0.0 113.327 -174.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.454 ' O ' HG22 ' A' ' 7' ' ' ILE . 15.5 m80 -154.85 176.68 12.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.769 0.318 . . . . 0.0 110.369 -177.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -121.25 78.92 35.17 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 172.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -89.87 106.79 0.37 Allowed 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 123.182 2.588 . . . . 0.0 113.147 -173.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.544 ' HG2' ' O ' ' A' ' 39' ' ' PRO . 39.0 mtt85 63.15 25.83 15.04 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.075 171.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.0 t -90.33 128.91 36.57 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.264 0.554 . . . . 0.0 110.299 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.87 92.82 3.29 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.458 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.19 102.55 3.37 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.937 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.0 mm -98.16 109.9 24.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 175.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -86.06 -48.87 8.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.859 0.362 . . . . 0.0 110.902 -176.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.532 ' HB2' ' HB3' ' A' ' 25' ' ' TYR . . . -128.63 136.99 51.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.06 0.457 . . . . 0.0 110.692 177.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -139.32 139.97 37.42 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.9 -179.108 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 139.86 -91.61 0.19 Allowed Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.26 -0.971 . . . . 0.0 113.043 175.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.414 ' HG3' HD21 ' A' ' 128' ' ' LEU . 86.9 tttt -107.85 121.26 44.39 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.898 0.38 . . . . 0.0 111.344 -172.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.06 -3.76 28.6 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.475 178.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.721 ' HA2' ' HB3' ' A' ' 125' ' ' ALA . . . 115.31 -139.16 15.29 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -178.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -119.1 152.96 35.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.984 0.421 . . . . 0.0 110.188 175.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.532 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . 91.3 t80 -132.38 108.84 9.44 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.085 0.469 . . . . 0.0 110.542 178.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -113.57 177.13 4.74 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.109 173.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.26 91.82 0.99 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.048 0.451 . . . . 0.0 110.96 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 149.81 -78.18 0.22 Allowed Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.967 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 24.9 ttt -126.08 152.91 45.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.741 0.305 . . . . 0.0 110.984 -173.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.1 t -143.71 -167.92 2.71 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 34.9 m170 72.27 24.91 2.96 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.404 0.682 . . . . 0.0 111.505 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.445 ' HG3' HD21 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -117.91 151.58 37.13 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 176.184 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.404 ' HA2' ' CB ' ' A' ' 125' ' ' ALA . . . -114.61 8.23 22.15 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.402 -0.904 . . . . 0.0 113.258 -176.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.716 ' HB3' ' HB3' ' A' ' 45' ' ' TRP . 6.6 m -147.02 114.68 6.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 117.037 0.418 . . . . 0.0 110.805 -176.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.445 HD21 ' HG3' ' A' ' 32' ' ' GLN . 90.1 mt -135.55 137.24 41.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.91 0.386 . . . . 0.0 111.499 -178.468 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.1 mt -109.59 100.85 9.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.268 176.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.416 ' HB2' ' HB1' ' A' ' 121' ' ' ALA . 93.0 m-85 -90.85 92.56 8.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.861 0.362 . . . . 0.0 110.239 178.303 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.9 mt -96.31 158.56 33.71 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.917 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.544 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 12.2 Cg_exo -71.24 7.34 1.46 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.948 2.432 . . . . 0.0 112.362 179.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -122.69 -56.15 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.144 179.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -144.57 154.62 43.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.062 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.1 t -98.4 117.48 43.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.655 174.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -109.2 150.19 28.28 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.086 -176.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.13 127.95 8.46 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 110.764 -0.935 . . . . 0.0 110.764 173.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.716 ' HB3' ' HB3' ' A' ' 34' ' ' SER . 1.1 t90 -99.32 151.41 21.09 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -175.371 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -105.38 9.47 33.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 122.207 1.003 . . . . 0.0 110.386 -178.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.502 HG23 ' HB3' ' A' ' 57' ' ' SER . 86.8 t -96.24 95.01 4.46 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.347 -178.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.2 p -93.02 8.89 38.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.915 -176.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.493 ' HB2' ' HB2' ' A' ' 52' ' ' GLN . 97.8 mttt -130.53 132.42 23.97 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.716 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_exo -58.03 -33.37 97.18 Favored 'Trans proline' 0 CA--C 1.528 0.195 0 C-N-CA 122.931 2.421 . . . . 0.0 112.69 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -96.36 10.71 37.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.551 0.691 . . . . 0.0 110.834 -177.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.501 ' HB3' HG12 ' A' ' 47' ' ' VAL . 8.8 tt0 -95.39 7.29 46.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.856 0.836 . . . . 0.0 109.295 176.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 69.0 mt -76.37 103.98 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.127 177.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -126.9 169.88 12.82 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.745 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.97 -41.09 64.24 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 122.706 0.403 . . . . 0.0 110.451 177.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -66.55 -41.06 89.22 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.571 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.502 ' HB3' HG23 ' A' ' 47' ' ' VAL . 13.8 m -65.75 -24.65 67.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.587 178.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 88.5 mt -103.25 16.95 25.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.856 -178.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -58.92 -39.31 81.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.897 0.38 . . . . 0.0 110.753 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -69.34 -27.91 65.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.59 176.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.5 t -70.42 -37.3 70.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.37 179.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -65.29 -40.84 94.37 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.193 0.521 . . . . 0.0 110.009 174.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -69.15 -41.38 77.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.459 -177.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -96.5 17.55 15.97 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.152 -178.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.81 -16.05 62.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.026 -177.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -65.25 -31.6 72.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.898 0.38 . . . . 0.0 110.765 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.461 ' O ' ' HG2' ' A' ' 39' ' ' PRO . . . -96.55 -4.43 41.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.804 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 68.0 mt -107.62 111.12 34.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.118 0.485 . . . . 0.0 111.204 -175.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -99.03 -62.3 1.25 Allowed 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 171.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 58.5 m -104.73 116.17 31.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.828 178.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.0 tp -105.16 106.58 17.14 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.075 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 50.3 mt -94.54 117.61 38.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.579 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.493 HG23 ' HB3' ' A' ' 122' ' ' ALA . 59.4 t -107.34 129.29 61.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.797 -178.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -107.59 111.13 3.35 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 175.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.527 HG21 ' HB3' ' A' ' 80' ' ' TRP . 23.1 p -72.08 -35.93 69.38 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.971 0.415 . . . . 0.0 111.966 -175.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 149.26 -127.64 2.53 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.808 -0.71 . . . . 0.0 111.515 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.471 ' HB1' HG11 ' A' ' 126' ' ' VAL . . . -88.05 -47.6 8.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.397 0.618 . . . . 0.0 109.639 177.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -82.18 160.43 23.06 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.471 177.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 14.3 p -104.72 113.2 41.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.667 0.746 . . . . 0.0 110.316 -177.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.527 ' HB3' HG21 ' A' ' 75' ' ' THR . 64.8 t90 -99.05 124.62 44.18 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.143 -178.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.4 ' N ' HD13 ' A' ' 81' ' ' ILE . 3.2 mp -87.23 119.38 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.08 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.26 143.65 31.26 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.716 -178.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -61.97 131.5 35.24 Favored 'Trans proline' 0 C--O 1.24 0.586 0 C-N-CA 122.722 2.281 . . . . 0.0 111.944 177.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -58.41 -24.71 60.81 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.783 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -61.57 -34.29 75.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.937 0.398 . . . . 0.0 110.558 178.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.1 tp -73.54 -42.58 61.51 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 176.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.774 ' HG2' ' HB3' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -62.54 -38.53 90.38 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.031 176.74 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -68.93 -28.91 67.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.426 -177.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.87 -42.45 97.53 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 172.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.597 ' HB3' ' HB ' ' A' ' 95' ' ' VAL . 95.9 mt -72.29 -24.3 61.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.509 175.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.541 ' HD3' ' O ' ' A' ' 91' ' ' ARG . 0.1 OUTLIER -64.9 -30.75 71.77 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 177.172 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -56.67 -38.47 82.3 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.274 176.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.485 HG23 HG23 ' A' ' 95' ' ' VAL . 6.9 m -100.13 15.95 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.085 0.469 . . . . 0.0 110.723 177.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 64.01 29.64 14.26 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.199 -0.91 . . . . 0.0 112.599 173.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.597 ' HB ' ' HB3' ' A' ' 90' ' ' LEU . 74.9 t -86.24 118.61 32.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.065 0.459 . . . . 0.0 110.117 175.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 41.7 t -79.2 100.87 4.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 176.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.774 ' HB3' ' HG2' ' A' ' 87' ' ' ARG . 57.9 tp -89.62 121.93 32.27 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.5 -176.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -126.75 115.88 20.08 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.923 0.392 . . . . 0.0 110.028 177.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.5 m -97.8 123.06 41.59 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.766 -177.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 73.0 mtm -140.19 -175.75 4.36 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.079 177.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -86.16 162.48 18.34 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 175.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.1 p -54.54 -46.73 73.67 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -171.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -53.66 -67.07 2.33 Favored Glycine 0 CA--C 1.523 0.532 0 C-N-CA 121.34 -0.457 . . . . 0.0 113.277 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.55 -32.5 74.5 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.014 2.476 . . . . 0.0 113.089 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.18 -51.15 68.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.041 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 73.2 mt -62.39 -44.0 98.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -57.51 -52.36 65.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.453 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 15.9 m -65.5 -38.25 89.15 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.169 -177.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -63.62 -45.61 89.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.714 178.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -57.06 -44.92 83.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.542 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 72.5 mt -66.35 -47.78 83.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.01 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 90.6 mmm -66.77 -38.3 86.28 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -174.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 11.2 tp -69.52 -26.45 31.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-O 121.064 0.459 . . . . 0.0 110.406 -178.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.82 -46.99 8.08 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.959 177.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -61.72 -57.59 11.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.613 0.244 . . . . 0.0 111.027 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 76.6 mtt180 -132.83 -104.02 0.25 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.862 0.363 . . . . 0.0 110.521 178.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 176.79 -155.55 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 -175.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 19.4 mmt85 62.6 22.09 13.09 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.448 0.642 . . . . 0.0 111.338 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.449 ' O ' ' HG3' ' A' ' 39' ' ' PRO . 7.1 p -116.37 131.02 70.15 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.606 178.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -122.96 145.11 48.77 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.396 -178.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.416 ' HB1' ' HB2' ' A' ' 37' ' ' PHE . . . -119.17 111.93 18.87 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.01 0.433 . . . . 0.0 111.047 -179.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.493 ' HB3' HG23 ' A' ' 73' ' ' VAL . . . -94.18 99.0 11.35 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 173.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 98.3 mt -108.89 115.93 31.03 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.062 0.458 . . . . 0.0 111.814 -170.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 67.3 mt -98.85 126.19 52.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 170.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.721 ' HB3' ' HA2' ' A' ' 23' ' ' GLY . . . -65.83 148.45 51.76 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.662 -174.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.526 HG12 ' H ' ' A' ' 128' ' ' LEU . 94.0 t -64.83 113.13 9.77 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.691 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -85.28 25.85 0.68 Allowed 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.875 2.383 . . . . 0.0 111.789 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.526 ' H ' HG12 ' A' ' 126' ' ' VAL . 91.1 mt 64.38 -172.23 0.18 Allowed 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.271 -175.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.46 -1.22 39.09 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.486 0.66 . . . . 0.0 109.428 176.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 47.0 p-80 -144.09 163.73 32.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.642 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -68.0 -173.38 0.37 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.811 0.339 . . . . 0.0 111.837 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 40.3 p-80 -74.65 27.39 0.08 Allowed 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -171.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 64.8 t-80 -100.47 113.85 26.96 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 176.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 36.4 p-80 -73.54 166.27 23.56 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.829 0.347 . . . . 0.0 110.938 -176.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 70.2 t60 . . . . . 0 C--O 1.246 0.881 0 CA-C-O 118.623 -0.703 . . . . 0.0 109.956 177.444 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 ttt . . . . . 0 N--CA 1.481 1.125 0 CA-C-O 120.912 0.387 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -130.82 135.01 47.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.023 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -135.56 159.76 40.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.387 -176.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 26.1 tpt180 -69.98 -25.79 63.79 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 173.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m 65.36 30.6 10.95 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.495 174.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -80.99 66.14 6.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.728 0.775 . . . . 0.0 110.638 177.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.8 pt -83.59 158.2 63.25 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.172 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -50.22 113.99 1.24 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.743 2.296 . . . . 0.0 111.576 176.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -84.18 152.86 24.0 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.191 0.519 . . . . 0.0 110.822 -174.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.436 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 41.2 m-85 -107.63 119.51 50.27 Favored Pre-proline 0 C--N 1.318 -0.789 0 CA-C-N 115.476 -0.783 . . . . 0.0 109.017 178.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 10' ' ' PHE . 7.4 Cg_exo -72.69 77.42 2.23 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 123.081 2.521 . . . . 0.0 112.697 -176.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 56.68 76.32 0.31 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.265 177.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.1 t -96.7 133.35 41.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.571 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -107.77 -14.4 14.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.534 0.683 . . . . 0.0 110.183 177.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.57 102.74 15.39 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.067 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.5 mt -107.58 125.67 63.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.108 175.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -85.59 -58.3 2.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.709 0.29 . . . . 0.0 111.502 -173.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.89 144.96 39.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.89 0.376 . . . . 0.0 111.019 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -149.15 156.04 41.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.357 177.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.67 -56.15 4.68 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.027 -0.606 . . . . 0.0 113.24 175.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -51.94 -65.43 0.56 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.011 0.434 . . . . 0.0 111.421 -176.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -121.51 39.71 2.29 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 177.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.645 ' HA2' ' OE1' ' A' ' 32' ' ' GLN . . . 91.23 -168.5 32.39 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -175.104 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -83.15 110.77 18.32 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 174.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.578 ' HA ' ' O ' ' A' ' 29' ' ' MET . 55.0 t80 -111.95 98.78 7.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.193 0.521 . . . . 0.0 110.366 -178.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -142.53 137.28 30.06 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.162 173.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 66.98 13.54 9.51 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.727 0.642 . . . . 0.0 111.215 -177.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.24 -9.53 61.21 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.939 -0.648 . . . . 0.0 113.573 176.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.578 ' O ' ' HA ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -88.06 165.03 15.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.153 0.476 . . . . 0.0 110.649 -178.55 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.501 ' OG ' ' HD2' ' A' ' 25' ' ' TYR . 67.8 m -151.53 138.86 19.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.503 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -173.97 137.7 0.58 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.488 176.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.645 ' OE1' ' HA2' ' A' ' 23' ' ' GLY . 10.1 mm100 -94.31 107.01 18.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.056 0.455 . . . . 0.0 109.826 173.156 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.11 -164.72 31.29 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 -178.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.648 ' HB2' ' O ' ' A' ' 45' ' ' TRP . 5.3 m -111.22 131.96 54.71 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 117.172 0.486 . . . . 0.0 110.579 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 96.0 mt -122.03 146.51 47.1 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.602 -177.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.7 111.76 22.35 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -92.17 101.54 14.05 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.126 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.479 ' C ' ' H ' ' A' ' 40' ' ' ASP . 94.5 mt -89.9 159.44 42.98 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.871 178.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -68.45 16.88 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.109 2.539 . . . . 0.0 113.058 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.479 ' H ' ' C ' ' A' ' 38' ' ' LEU . 23.9 m-20 -135.54 -53.27 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.66 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -150.28 159.58 44.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.651 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.1 t -89.96 132.02 35.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.264 177.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 79.1 m95 -124.81 159.21 31.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.599 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.63 130.82 10.18 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.807 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.648 ' O ' ' HB2' ' A' ' 34' ' ' SER . 27.0 t90 -136.49 76.91 1.62 Allowed 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 -178.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -74.43 97.65 3.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.204 -169.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 57.3 t -128.23 96.03 3.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.277 -0.874 . . . . 0.0 108.689 173.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.3 m -59.44 -46.97 87.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.091 -174.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -117.18 127.1 26.93 Favored Pre-proline 0 C--N 1.325 -0.489 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.528 178.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.76 -8.09 20.26 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 123.4 2.733 . . . . 0.0 113.601 -174.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -67.58 -22.96 65.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.093 0.473 . . . . 0.0 110.458 178.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -92.52 24.62 3.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.686 -177.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 71.1 mt -76.01 103.09 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 172.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -136.22 -165.61 1.74 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.666 -174.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 35.8 mtm180 -73.42 -29.11 62.36 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.531 0.197 . . . . 0.0 111.531 -177.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -71.69 -45.32 62.22 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 120.953 0.406 . . . . 0.0 110.555 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.2 p -70.82 -35.24 72.4 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.931 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 88.2 mt -85.45 8.57 18.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.264 178.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -54.53 -41.68 69.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.984 0.421 . . . . 0.0 110.456 177.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -67.19 -30.65 70.65 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.458 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.6 t -71.34 -45.89 67.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.445 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -67.64 -33.15 74.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.767 177.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -72.73 -47.78 44.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.146 -178.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -94.62 23.82 5.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.41 0.624 . . . . 0.0 110.248 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.3 -12.71 54.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.764 -177.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -68.27 -25.13 65.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.925 0.393 . . . . 0.0 110.306 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -114.26 0.18 14.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.052 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.1 mt -112.76 97.96 6.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.077 0.465 . . . . 0.0 110.744 -177.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.957 ' HB3' ' HB3' ' A' ' 118' ' ' ARG . 0.7 OUTLIER -102.36 -34.83 9.04 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.947 176.872 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.491 ' O ' ' HA ' ' A' ' 119' ' ' VAL . 10.1 m -121.0 128.74 52.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.492 177.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 57.7 tp -129.85 111.84 12.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.995 0.426 . . . . 0.0 110.92 -177.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 59.6 mt -104.8 114.35 44.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.613 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.0 t -101.42 115.54 43.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.554 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.458 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -100.2 100.3 2.16 Favored Glycine 0 N--CA 1.443 -0.883 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 176.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.513 ' HA ' HD11 ' A' ' 124' ' ' ILE . 68.2 p -80.3 43.83 0.66 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.299 0.571 . . . . 0.0 111.775 -172.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.31 -111.21 3.66 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 111.696 -0.562 . . . . 0.0 111.696 -178.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -119.75 -15.86 8.84 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.127 0.489 . . . . 0.0 110.234 176.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -94.41 90.61 6.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.427 -179.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.447 ' HA ' ' OG1' ' A' ' 75' ' ' THR . 7.3 p -67.57 124.98 24.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.362 0.601 . . . . 0.0 111.785 -173.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 43.8 t90 -110.8 117.85 34.54 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.003 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 66.9 mt -87.83 120.22 36.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.244 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.36 135.04 76.13 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.238 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -60.49 158.93 29.61 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.94 2.427 . . . . 0.0 111.994 177.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 38.1 mtm-85 -61.57 -35.14 76.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.323 -175.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -65.87 -39.02 90.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.78 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.1 tp -73.93 -39.69 63.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.148 0.499 . . . . 0.0 110.014 178.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -60.8 -42.55 97.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.608 177.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -69.4 -35.32 75.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.11 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.96 -51.43 69.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.138 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.703 HD13 HD21 ' A' ' 97' ' ' LEU . 70.0 mt -69.64 -33.01 72.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.695 177.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -61.25 -30.91 70.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.29 -31.22 79.8 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 121.189 -0.529 . . . . 0.0 112.216 178.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.467 ' HB ' HG22 ' A' ' 95' ' ' VAL . 5.2 t -89.2 5.03 4.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.527 0.679 . . . . 0.0 109.383 176.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' ' 93' ' ' VAL . 9.3 m120 71.71 13.4 6.23 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 114.823 -1.08 . . . . 0.0 111.623 -179.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.485 ' HB ' ' HB3' ' A' ' 90' ' ' LEU . 56.0 t -76.23 110.13 11.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.041 0.448 . . . . 0.0 109.821 177.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.6 t -77.5 96.53 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.993 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.703 HD21 HD13 ' A' ' 90' ' ' LEU . 48.1 tp -90.22 138.26 31.67 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.174 -179.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -139.12 142.48 38.07 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 172.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.8 p -106.17 109.37 21.29 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -175.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.458 ' O ' ' HA2' ' A' ' 74' ' ' GLY . 21.1 mmt -132.56 -177.51 4.51 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.26 0.552 . . . . 0.0 111.577 -174.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -103.5 161.81 13.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.465 -0.788 . . . . 0.0 108.968 172.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.503 ' O ' HG13 ' A' ' 106' ' ' ILE . 7.5 p -52.43 -62.41 1.66 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -171.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -46.88 -64.23 2.8 Favored Glycine 0 CA--C 1.523 0.579 0 O-C-N 123.476 0.485 . . . . 0.0 113.914 -177.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.4 -36.78 94.65 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.772 2.315 . . . . 0.0 112.936 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.2 -42.63 75.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.431 -177.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 102' ' ' THR . 79.1 mt -59.8 -49.77 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-O 120.917 0.389 . . . . 0.0 110.742 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -61.46 -43.57 98.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.714 -178.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 33.0 m -64.48 -42.35 95.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.651 178.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -59.22 -43.01 92.32 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.985 178.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -62.5 -33.94 75.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.283 -179.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 54.4 mt -72.94 -42.82 60.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.905 0.383 . . . . 0.0 110.837 175.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 57.1 mtt -72.27 -30.19 64.6 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -175.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 10.9 tp -67.43 -8.47 8.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 CA-C-O 121.231 0.539 . . . . 0.0 110.959 -178.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -121.26 25.11 7.13 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.998 -0.62 . . . . 0.0 111.886 175.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -148.77 -36.15 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.969 0.414 . . . . 0.0 111.162 -177.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -145.05 79.07 1.58 Allowed 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -74.32 60.98 0.86 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.496 -175.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.957 ' HB3' ' HB3' ' A' ' 69' ' ' ASP . 79.0 mtt180 -135.2 14.78 3.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.244 175.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.491 ' HA ' ' O ' ' A' ' 70' ' ' THR . 7.4 p -107.34 134.01 50.35 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-N 114.847 -1.069 . . . . 0.0 111.963 -169.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -118.38 147.66 43.31 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.267 173.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -120.44 123.63 43.46 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.981 0.419 . . . . 0.0 111.477 -175.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -108.0 115.33 29.94 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 176.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 90.1 mt -114.38 123.31 49.15 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.922 0.392 . . . . 0.0 111.31 -175.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.513 HD11 ' HA ' ' A' ' 75' ' ' THR . 62.0 mt -94.58 148.5 4.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.053 177.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -45.44 140.55 3.08 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.9 t -108.74 110.42 61.21 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.367 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -76.83 106.46 2.26 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.183 1.922 . . . . 0.0 111.377 174.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 60.2 tp -98.46 -65.0 0.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.629 -178.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.88 120.3 33.96 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.321 0.581 . . . . 0.0 109.839 -178.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -150.66 19.21 0.81 Allowed 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -101.07 -83.39 0.45 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.774 -175.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -136.15 107.25 6.74 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.311 -174.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -147.96 94.63 2.36 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.668 0.747 . . . . 0.0 111.586 -178.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -106.02 -36.08 7.06 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 169.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 22.6 t60 . . . . . 0 C--O 1.248 1.015 0 CA-C-N 114.358 -1.292 . . . . 0.0 108.167 175.075 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.87 84.02 4.95 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.175 0.512 . . . . 0.0 110.903 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -135.43 94.78 3.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.875 177.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.432 ' HD3' ' OE1' ' A' ' 6' ' ' GLU . 17.4 ptp180 -156.84 173.52 16.86 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.082 -179.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.0 m -149.81 42.76 0.88 Allowed 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.601 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.432 ' OE1' ' HD3' ' A' ' 4' ' ' ARG . 22.9 mt-10 -71.19 -69.85 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 173.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.8 pt -136.88 90.1 16.58 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.664 173.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -82.38 13.33 2.58 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.873 2.382 . . . . 0.0 113.15 -174.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -160.56 114.09 2.09 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.817 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 94.6 m-85 -65.18 136.62 96.64 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.966 -178.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 10' ' ' PHE . 4.3 Cg_exo -82.0 40.87 1.03 Allowed 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 123.661 2.908 . . . . 0.0 113.315 -175.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 68.48 104.74 0.05 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.358 0.599 . . . . 0.0 111.294 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.7 m -137.89 117.75 13.25 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.768 178.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -121.56 11.69 10.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.011 0.434 . . . . 0.0 110.73 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.18 115.66 28.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.347 -176.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.479 HD12 HG21 ' A' ' 106' ' ' ILE . 73.0 mt -107.75 126.86 64.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.633 178.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -83.57 -55.68 4.15 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.511 -170.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -139.21 150.25 45.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.013 0.435 . . . . 0.0 111.28 -176.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.454 ' HH ' ' HB ' ' A' ' 102' ' ' THR . 42.9 t80 -127.16 118.51 24.48 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.991 177.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 160.68 -105.56 0.27 Allowed Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.43 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -67.81 127.57 33.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.8 0.333 . . . . 0.0 110.724 -178.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.36 -5.49 80.78 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.904 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.19 -84.96 1.19 Allowed Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.65 -178.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -120.34 136.2 54.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.738 0.304 . . . . 0.0 110.75 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.422 ' CD1' ' HB2' ' A' ' 30' ' ' SER . 21.0 t80 -133.28 125.82 30.11 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 174.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -139.2 177.39 7.94 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.789 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.49 90.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.455 0.472 . . . . 0.0 110.26 177.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 150.59 -76.58 0.24 Allowed Glycine 0 N--CA 1.442 -0.915 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.942 -177.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -147.69 176.08 10.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.906 0.384 . . . . 0.0 111.656 -175.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.422 ' HB2' ' CD1' ' A' ' 25' ' ' TYR . 31.3 t -129.99 141.26 50.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.4 176.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 -167.72 154.11 7.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.617 0.246 . . . . 0.0 110.837 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.15 -163.18 0.8 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 175.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.71 -147.27 19.77 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.71 -0.757 . . . . 0.0 111.836 178.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.513 ' HB3' ' HE3' ' A' ' 45' ' ' TRP . 46.3 m -126.0 140.66 52.43 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.823 0.344 . . . . 0.0 110.229 178.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 97.7 mt -120.66 138.12 54.1 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.69 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.803 ' HG ' ' HB2' ' A' ' 45' ' ' TRP . 79.9 mt -99.83 96.43 7.58 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.88 178.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.41 ' HB2' ' HB1' ' A' ' 121' ' ' ALA . 84.4 m-85 -85.23 92.1 8.33 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.453 HD22 ' HB3' ' A' ' 120' ' ' ALA . 79.0 mt -102.34 156.82 34.78 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 115.239 -0.892 . . . . 0.0 109.678 -179.242 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -62.8 -11.89 26.31 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.516 2.144 . . . . 0.0 111.886 176.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -90.65 -57.56 2.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.061 177.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.817 ' HB3' ' HB2' ' A' ' 10' ' ' PHE . . . -161.82 172.9 15.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.015 -176.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.7 t -91.78 101.28 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.38 176.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -99.33 153.58 18.86 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.484 -177.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.36 126.55 8.29 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.034 -178.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.803 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 3.6 t90 -106.18 106.9 17.64 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.503 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -78.32 73.38 4.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.471 0.653 . . . . 0.0 110.892 -175.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 99.5 t -139.92 128.25 26.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.216 176.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.3 m -105.76 -7.26 18.46 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.125 0.488 . . . . 0.0 111.202 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -123.15 117.31 28.3 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.269 -176.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -62.75 -22.37 73.84 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.507 2.138 . . . . 0.0 111.685 175.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -70.83 -21.05 62.5 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.692 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -98.5 20.0 13.54 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.811 -173.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.433 HD11 HD13 ' A' ' 124' ' ' ILE . 70.7 mt -75.99 113.21 14.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 174.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -144.75 -173.28 4.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.502 -175.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 33.7 mtp-105 -65.37 -36.6 84.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.25 -177.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -69.73 -43.75 71.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.785 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.1 p -73.67 -28.57 61.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.345 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.4 HD13 HD12 ' A' ' 86' ' ' LEU . 84.7 mt -89.13 14.99 9.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.523 179.277 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -54.76 -37.05 65.5 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.101 0.477 . . . . 0.0 110.605 178.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.602 ' HA ' ' HE ' ' A' ' 60' ' ' ARG . 1.0 OUTLIER -63.76 -30.03 71.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.611 -179.284 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.2 t -74.38 -37.88 45.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.241 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -61.37 -36.92 81.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.535 176.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -55.13 -58.72 6.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.389 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -96.13 18.23 14.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.126 -172.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.19 -22.47 61.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.971 0.415 . . . . 0.0 111.814 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -69.93 -15.74 63.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 178.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -118.77 4.61 11.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.668 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.2 mt -116.5 111.13 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.221 0.534 . . . . 0.0 110.517 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.915 ' HB2' ' HD3' ' A' ' 118' ' ' ARG . 12.2 t70 -95.62 -55.71 2.93 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.364 177.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.0 m -110.82 130.97 55.43 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.166 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.516 HD21 HD12 ' A' ' 97' ' ' LEU . 62.7 tp -119.36 114.37 22.24 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.883 0.373 . . . . 0.0 110.384 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 72.9 mt -95.81 121.97 46.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.006 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 96.2 t -106.42 121.89 59.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.719 0.295 . . . . 0.0 110.57 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -101.36 91.31 0.92 Allowed Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.827 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 100' ' ' MET . 3.6 t -79.09 130.09 35.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.154 0.502 . . . . 0.0 110.775 -178.396 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -96.48 161.23 22.14 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.71 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.553 ' HB2' ' HD2' ' A' ' 127' ' ' PRO . . . 75.86 -43.51 0.48 Allowed 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.187 0.995 . . . . 0.0 111.322 178.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -163.26 -175.28 4.19 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 42.3 t -97.96 102.76 13.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.831 0.348 . . . . 0.0 110.58 -177.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.414 ' CH2' ' HB ' ' A' ' 53' ' ' ILE . 85.8 t90 -88.03 123.18 32.46 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 174.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.1 mp -96.14 121.24 46.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.075 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.74 127.24 92.33 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.583 177.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.66 154.86 23.83 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.187 2.591 . . . . 0.0 111.989 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.1 ptt85 -62.47 -38.9 91.64 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.03 -174.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -59.09 -46.12 89.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.777 0.322 . . . . 0.0 111.271 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.4 HD12 HD13 ' A' ' 58' ' ' LEU . 66.6 tp -63.8 -39.35 94.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.204 0.526 . . . . 0.0 110.11 178.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 87' ' ' ARG . 12.8 ttm180 -70.72 -44.15 67.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.994 -177.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -68.1 -30.83 70.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.052 -178.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.55 -48.79 71.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.057 0.456 . . . . 0.0 110.287 176.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.9 mt -67.44 -38.47 84.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.622 177.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.424 ' HA ' ' HD2' ' A' ' 91' ' ' ARG . 8.5 tpt180 -63.94 -26.3 68.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.639 179.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -63.92 -24.46 68.45 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.963 -0.637 . . . . 0.0 111.858 175.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.417 ' HB ' HG21 ' A' ' 95' ' ' VAL . 4.4 t -99.09 7.13 8.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.306 0.574 . . . . 0.0 109.541 176.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 68.73 20.24 8.22 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.56 -178.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.417 HG21 ' HB ' ' A' ' 93' ' ' VAL . 53.6 t -84.15 106.85 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 175.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.3 t -83.6 90.87 2.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.567 -177.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.516 HD12 HD21 ' A' ' 71' ' ' LEU . 9.9 tt -84.13 126.68 33.33 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.911 177.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -133.8 126.32 30.34 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 176.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.7 t -110.49 138.1 47.32 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.124 0.488 . . . . 0.0 111.551 -173.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.425 ' O ' HG22 ' A' ' 75' ' ' THR . 1.5 pmm? -154.53 177.9 10.68 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 176.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -61.63 148.86 41.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.571 0.225 . . . . 0.0 110.748 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.454 ' HB ' ' HH ' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -51.66 -40.11 59.42 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -175.708 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -57.66 -67.1 2.38 Favored Glycine 0 CA--C 1.523 0.552 0 C-N-CA 121.181 -0.533 . . . . 0.0 112.837 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.43 -30.69 64.92 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.799 2.332 . . . . 0.0 112.929 176.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.25 -48.28 80.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.697 0.284 . . . . 0.0 111.097 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.479 HG21 HD12 ' A' ' 16' ' ' ILE . 76.5 mt -61.23 -39.08 81.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-O 121.361 0.601 . . . . 0.0 110.175 177.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -60.81 -57.9 10.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.049 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 83.5 m -60.59 -36.83 79.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.395 -178.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -61.96 -43.24 99.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.815 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -61.01 -39.71 90.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.756 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 74.4 mt -65.17 -43.69 95.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.903 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.907 ' HE1' ' HA ' ' A' ' 112' ' ' MET . 10.4 mmt -66.76 -43.42 84.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.322 -179.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 37.3 mm -64.65 -33.24 61.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.11 0.481 . . . . 0.0 110.283 177.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -84.69 16.7 34.64 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.422 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -121.63 -61.06 1.55 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -140.42 -102.66 0.15 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.093 0.473 . . . . 0.0 111.322 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 176.73 -161.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -175.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.915 ' HD3' ' HB2' ' A' ' 69' ' ' ASP . 15.4 ttt-85 65.69 25.88 11.48 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.477 0.656 . . . . 0.0 109.807 178.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.4 HG13 ' HB3' ' A' ' 112' ' ' MET . 7.2 p -128.06 139.86 50.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.551 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.453 ' HB3' HD22 ' A' ' 38' ' ' LEU . . . -130.78 156.89 44.22 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.465 -178.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.41 ' HB1' ' HB2' ' A' ' 37' ' ' PHE . . . -129.04 121.32 27.65 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.05 0.453 . . . . 0.0 111.443 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -100.45 95.97 7.09 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 173.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 86.0 mt -103.18 130.62 50.42 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 -172.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.433 HD13 HD11 ' A' ' 53' ' ' ILE . 56.7 mt -113.56 133.98 57.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.195 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.03 154.86 40.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.223 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.538 HG13 ' H ' ' A' ' 77' ' ' ALA . 15.3 m -90.01 118.27 68.75 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.492 -177.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.553 ' HD2' ' HB2' ' A' ' 77' ' ' ALA . 32.5 Cg_exo -59.35 110.35 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.784 2.323 . . . . 0.0 111.374 172.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 92.9 mt -86.53 20.24 2.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.613 -175.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -123.79 -114.58 0.3 Allowed 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.666 -178.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 68.84 -51.74 0.58 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.736 0.814 . . . . 0.0 110.329 -173.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -139.95 94.95 2.82 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 172.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -109.69 170.36 8.11 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.508 -178.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 57.5 m170 -107.92 167.49 9.94 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 173.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -95.4 -66.78 0.89 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 174.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 . . . . . 0 C--O 1.249 1.063 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.017 176.866 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.5 mmt . . . . . 0 N--CA 1.482 1.163 0 CA-C-O 120.288 0.089 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.55 -98.09 0.07 Allowed 'General case' 0 N--CA 1.463 0.185 0 O-C-N 123.612 0.57 . . . . 0.0 111.258 -177.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.476 ' O ' ' HB3' ' A' ' 4' ' ' ARG . 75.6 mm-40 -135.67 21.68 3.34 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 177.102 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.476 ' HB3' ' O ' ' A' ' 3' ' ' GLN . 10.1 ttp180 70.56 159.16 0.19 Allowed 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.817 0.698 . . . . 0.0 109.565 -173.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 m 66.26 42.45 3.06 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.454 0.645 . . . . 0.0 109.773 -177.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -68.46 112.6 5.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.047 -178.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.443 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 18.4 pt -111.13 125.73 30.04 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.942 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 7' ' ' ILE . 48.1 Cg_endo -88.41 100.63 0.41 Allowed 'Trans proline' 0 N--CA 1.455 -0.775 0 C-N-CA 122.957 2.438 . . . . 0.0 112.865 -177.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -134.88 118.9 17.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.491 177.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.496 ' HZ ' ' HG3' ' A' ' 29' ' ' MET . 89.7 m-85 -110.4 119.51 46.58 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.577 178.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -79.34 70.56 7.45 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.582 2.188 . . . . 0.0 112.3 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? 62.76 96.86 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.863 -178.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.2 t -139.36 138.42 36.6 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.023 175.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -146.66 19.69 1.31 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.988 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.52 102.11 14.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.695 -177.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 70.6 mt -102.8 111.72 33.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.563 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -75.65 -44.56 41.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.649 -177.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -162.31 168.29 22.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.616 179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -149.14 157.68 43.58 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 175.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 154.89 -115.54 0.67 Allowed Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.154 -1.022 . . . . 0.0 112.699 176.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.485 ' HA ' HD21 ' A' ' 128' ' ' LEU . 2.3 tmtp? -69.68 104.55 2.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.905 0.384 . . . . 0.0 110.162 -176.082 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.448 ' O ' ' HA ' ' A' ' 31' ' ' HIS . . . 110.7 -9.05 30.08 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.043 176.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.24 -144.27 18.0 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.301 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -95.81 149.23 21.75 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.189 0.519 . . . . 0.0 111.408 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -119.05 105.74 11.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.107 176.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -142.15 177.14 8.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.415 -177.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.05 127.23 31.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.984 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.45 -67.06 0.25 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.256 178.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.496 ' HG3' ' HZ ' ' A' ' 10' ' ' PHE . 64.1 mtt -124.65 163.18 22.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.199 0.523 . . . . 0.0 111.104 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.8 m -154.27 173.13 16.56 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 176.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.448 ' HA ' ' O ' ' A' ' 22' ' ' GLY . 40.6 t-80 68.05 26.0 7.39 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.634 0.73 . . . . 0.0 110.187 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.444 ' HB3' HD22 ' A' ' 35' ' ' LEU . 16.6 mm-40 -101.11 124.3 46.6 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.351 177.261 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.44 -57.68 2.3 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.75 -174.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.0 m -114.73 119.97 38.49 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.11 0.481 . . . . 0.0 110.303 -177.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.444 HD22 ' HB3' ' A' ' 32' ' ' GLN . 96.4 mt -129.15 145.71 51.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.114 0.483 . . . . 0.0 111.535 -175.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.746 ' HB2' ' HB2' ' A' ' 45' ' ' TRP . 1.6 tt -110.28 101.16 9.92 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 175.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -80.54 112.34 17.8 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.46 -178.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.518 HD12 ' CD1' ' A' ' 43' ' ' TRP . 65.8 mt -104.57 155.85 36.77 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 109.695 -0.484 . . . . 0.0 109.695 176.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -61.4 -11.54 20.08 Favored 'Trans proline' 0 CA--C 1.532 0.382 0 C-N-CA 122.946 2.43 . . . . 0.0 113.581 -177.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -103.32 -39.21 6.9 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.766 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -164.12 168.44 19.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.042 0.448 . . . . 0.0 111.023 -176.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.5 t -93.79 122.34 45.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.657 177.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.518 ' CD1' HD12 ' A' ' 38' ' ' LEU . 62.2 m95 -109.78 150.99 27.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.887 0.375 . . . . 0.0 110.655 -178.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.01 125.42 6.86 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.446 178.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.746 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 23.2 t90 -127.1 85.85 2.42 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -177.068 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -76.82 80.22 3.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.358 0.599 . . . . 0.0 111.636 -170.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.5 t -131.37 107.52 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.01 173.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.7 m -81.55 -31.39 32.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.03 -173.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.9 mttm -100.9 124.32 42.3 Favored Pre-proline 0 C--N 1.326 -0.437 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -178.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -66.78 -19.22 53.3 Favored 'Trans proline' 0 CA--C 1.527 0.157 0 C-N-CA 122.293 1.996 . . . . 0.0 110.864 171.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -79.39 -12.37 59.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.102 -0.953 . . . . 0.0 110.081 178.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.41 ' O ' ' HG2' ' A' ' 52' ' ' GLN . 33.6 tt0 -97.85 16.22 21.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.761 -171.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 65.0 mt -83.13 114.77 24.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.135 0.493 . . . . 0.0 111.084 -177.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.455 ' CG ' ' H ' ' A' ' 55' ' ' ARG . 21.2 t70 -146.51 -169.63 3.32 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.455 ' H ' ' CG ' ' A' ' 54' ' ' ASP . 7.4 mmm180 -56.06 -38.35 70.51 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.959 0.409 . . . . 0.0 110.844 177.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -58.4 -38.41 77.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.946 178.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.18 -36.82 22.56 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.099 -177.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.492 HD11 HD22 ' A' ' 90' ' ' LEU . 87.7 mt -97.46 15.36 23.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.528 -175.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -60.06 -42.13 93.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.155 0.502 . . . . 0.0 110.009 -179.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -68.01 -28.91 67.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.726 177.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.445 HG21 HD21 ' A' ' 58' ' ' LEU . 84.1 t -68.59 -49.69 62.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.634 -178.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -63.93 -36.11 82.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.093 0.473 . . . . 0.0 110.535 177.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.66 -33.41 75.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.624 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -108.55 13.05 25.6 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.356 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.86 -14.74 62.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.141 0.496 . . . . 0.0 111.11 -178.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -67.71 -15.73 63.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.99 177.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -117.56 13.31 14.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.121 0.486 . . . . 0.0 110.512 178.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.6 mt -121.0 143.14 34.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.035 -175.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -123.75 -53.36 1.77 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.284 171.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.468 ' HA ' ' HB ' ' A' ' 96' ' ' VAL . 27.8 m -108.78 126.39 52.98 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.076 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.472 HD22 ' HB2' ' A' ' 120' ' ' ALA . 0.8 OUTLIER -110.24 112.55 24.59 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.534 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.49 ' HA ' ' O ' ' A' ' 98' ' ' ASP . 64.2 mt -100.04 128.57 51.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.157 -179.368 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.441 HG12 HG23 ' A' ' 75' ' ' THR . 39.0 t -116.81 120.06 63.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.514 -179.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -100.42 93.59 1.22 Allowed Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 176.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.544 HG22 ' HB3' ' A' ' 80' ' ' TRP . 22.4 p -82.89 55.26 3.0 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.14 0.495 . . . . 0.0 112.062 -173.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 77.47 -140.54 24.55 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.324 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.64 7.6 45.18 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.187 0.518 . . . . 0.0 110.701 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -127.4 163.38 24.16 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.885 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.662 HG12 ' HA ' ' A' ' 100' ' ' MET . 41.4 t -103.59 98.95 7.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.011 0.434 . . . . 0.0 109.861 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.544 ' HB3' HG22 ' A' ' 75' ' ' THR . 66.7 t90 -86.7 124.61 33.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.622 -176.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 68.7 mt -89.01 111.63 23.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.568 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.63 133.1 91.47 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.304 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -63.22 156.32 56.22 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.04 2.493 . . . . 0.0 112.094 178.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -52.46 -38.22 58.81 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.659 -178.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -51.47 -58.68 5.6 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.145 0.498 . . . . 0.0 111.151 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.448 HD11 HD12 ' A' ' 58' ' ' LEU . 37.6 tp -71.23 -40.9 70.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.804 -178.026 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -61.04 -44.87 96.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.31 -177.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -66.39 -39.33 88.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.47 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.58 -45.11 92.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.879 178.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.492 HD22 HD11 ' A' ' 58' ' ' LEU . 87.4 mt -70.11 -49.33 51.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.604 -179.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -74.3 -10.72 59.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.876 0.37 . . . . 0.0 111.0 -174.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.15 -26.11 70.14 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.044 -0.598 . . . . 0.0 111.84 174.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.662 ' HB ' HG23 ' A' ' 95' ' ' VAL . 6.3 t -97.87 7.64 8.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-O 121.507 0.67 . . . . 0.0 109.388 176.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.1 t30 66.62 23.92 10.22 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.359 -178.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.662 HG23 ' HB ' ' A' ' 93' ' ' VAL . 60.7 t -73.5 119.81 21.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.678 176.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.468 ' HB ' ' HA ' ' A' ' 70' ' ' THR . 46.3 t -71.75 110.31 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.577 -178.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 61.3 tp -91.63 114.48 27.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.559 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.49 ' O ' ' HA ' ' A' ' 72' ' ' ILE . 17.4 t70 -119.96 101.45 7.87 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.416 HG23 ' HB ' ' A' ' 73' ' ' VAL . 17.7 m -113.27 136.44 52.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.099 -176.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.662 ' HA ' HG12 ' A' ' 79' ' ' VAL . 22.7 ptp -166.63 -172.34 2.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.701 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -69.94 147.47 50.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.053 176.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.509 ' O ' HG13 ' A' ' 106' ' ' ILE . 81.6 m -53.45 -44.26 68.74 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.343 0.498 . . . . 0.0 112.343 -177.079 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -52.72 -66.61 2.56 Favored Glycine 0 CA--C 1.525 0.707 0 C-N-CA 121.156 -0.545 . . . . 0.0 113.038 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.6 -33.88 88.35 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.641 2.227 . . . . 0.0 112.521 175.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.05 -41.78 99.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.923 179.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 102' ' ' THR . 78.6 mt -59.23 -49.42 83.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.532 177.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 67.1 mtt-85 -59.3 -48.03 83.15 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.817 0.341 . . . . 0.0 110.621 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 36.8 m -61.92 -49.44 76.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.32 -178.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -61.44 -44.9 96.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.673 -0.239 . . . . 0.0 110.98 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -56.25 -40.97 75.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.148 -178.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 69.1 mt -75.81 -44.41 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.639 178.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 76.8 mmm -60.21 -47.3 86.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.818 -178.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.507 HD13 ' HA ' ' A' ' 117' ' ' ARG . 11.4 tp -71.79 -22.95 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.995 0.426 . . . . 0.0 110.601 -177.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.08 -33.07 41.92 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.36 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -101.87 -68.86 0.8 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -177.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -85.75 -36.33 20.22 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -171.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.507 ' HA ' HD13 ' A' ' 113' ' ' ILE . 98.7 mtt180 66.11 -164.03 0.24 Allowed 'General case' 0 N--CA 1.463 0.203 0 O-C-N 123.611 0.569 . . . . 0.0 110.237 -175.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 56.95 32.4 21.5 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 122.386 1.089 . . . . 0.0 110.162 -178.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.01 133.71 68.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 114.836 -1.074 . . . . 0.0 109.544 178.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.472 ' HB2' HD22 ' A' ' 71' ' ' LEU . . . -116.95 136.72 52.73 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.944 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -119.47 114.74 22.75 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.083 0.468 . . . . 0.0 111.625 -176.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -95.71 99.21 11.08 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 174.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 85.8 mt -108.6 130.95 55.31 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.941 -174.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 63.0 mt -116.58 119.56 62.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.11 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -79.27 172.81 13.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.84 0.353 . . . . 0.0 110.983 178.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.46 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . 28.1 m -64.63 142.71 98.54 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.439 -178.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 126' ' ' VAL . 14.4 Cg_exo -70.0 -12.51 32.58 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 123.258 2.639 . . . . 0.0 112.938 -177.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.485 HD21 ' HA ' ' A' ' 21' ' ' LYS . 91.6 mt 73.63 -48.76 0.68 Allowed 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.745 0.818 . . . . 0.0 112.168 178.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -65.99 154.49 39.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.179 0.514 . . . . 0.0 111.136 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -158.95 -179.87 8.44 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.202 -172.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -63.25 133.21 53.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.984 0.421 . . . . 0.0 110.76 178.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -143.87 -30.59 0.48 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.734 -176.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -86.5 113.04 22.1 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.179 0.514 . . . . 0.0 111.133 -176.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -116.58 -35.58 4.19 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 168.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 86.4 t60 . . . . . 0 C--O 1.25 1.087 0 CA-C-N 114.812 -1.086 . . . . 0.0 108.681 176.417 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 mmt . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.97 -66.4 0.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.797 -175.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -121.01 115.29 22.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.336 -175.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -70.4 92.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.489 0.661 . . . . 0.0 111.26 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -112.29 82.2 1.6 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.018 173.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -97.31 -16.33 20.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.799 -173.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.894 ' HB ' ' HD3' ' A' ' 8' ' ' PRO . 50.6 mm -55.18 -60.75 7.36 Favored Pre-proline 0 CA--C 1.536 0.414 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.005 -179.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.894 ' HD3' ' HB ' ' A' ' 7' ' ' ILE . 44.0 Cg_endo -95.64 95.27 0.1 OUTLIER 'Trans proline' 0 N--CA 1.445 -1.334 0 C-N-CA 122.478 2.119 . . . . 0.0 112.349 177.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 61.8 m-70 -64.2 -40.53 96.28 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 174.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.455 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 91.9 m-85 -126.53 126.34 24.56 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 167.532 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 10' ' ' PHE . 11.5 Cg_exo -71.22 56.83 2.1 Favored 'Trans proline' 0 N--CA 1.474 0.379 0 C-N-CA 123.712 2.942 . . . . 0.0 114.06 -171.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.496 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 71.6 mtt180 49.08 65.93 1.24 Allowed 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 123.092 0.557 . . . . 0.0 112.036 176.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.548 HG21 ' HB2' ' A' ' 26' ' ' PHE . 23.5 m -90.19 103.36 16.05 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.336 -179.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -106.94 10.67 30.43 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.09 178.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -120.73 104.94 10.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.543 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 72.0 mt -99.94 133.95 41.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 176.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.28 -36.33 10.93 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.746 0.308 . . . . 0.0 111.648 -176.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -142.16 123.61 14.88 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -177.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.7 p90 -105.88 120.2 41.14 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 169.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.22 -150.76 19.79 Favored Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 109.963 -1.255 . . . . 0.0 109.963 -171.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt 68.96 -61.92 0.41 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 122.831 0.452 . . . . 0.0 111.321 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -142.62 8.91 2.33 Favored Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 174.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.463 ' HA3' ' HA ' ' A' ' 32' ' ' GLN . . . 131.13 -107.62 0.76 Allowed Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.349 -0.701 . . . . 0.0 111.349 -177.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -128.18 126.87 41.88 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 173.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -111.7 103.43 11.72 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.252 0.548 . . . . 0.0 109.858 174.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.548 ' HB2' HG21 ' A' ' 13' ' ' THR . 33.6 p90 -120.24 177.17 5.12 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 176.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.68 102.32 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.056 0.455 . . . . 0.0 110.981 177.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.2 -103.08 0.3 Allowed Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.402 -174.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 48.8 ttm -147.77 157.73 43.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.938 0.369 . . . . 0.0 110.311 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.45 126.58 29.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.067 0.461 . . . . 0.0 111.197 177.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 63.0 t-80 -140.91 112.42 7.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.172 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.463 ' HA ' ' HA3' ' A' ' 23' ' ' GLY . 4.0 pt20 -70.7 166.68 20.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.611 0.243 . . . . 0.0 110.615 177.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 116.41 -127.56 7.55 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.77 -0.728 . . . . 0.0 111.807 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.447 ' OG ' ' HB3' ' A' ' 45' ' ' TRP . 13.8 p -147.99 155.49 41.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.745 0.307 . . . . 0.0 110.523 178.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 96.3 mt -135.06 151.66 50.96 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.823 -178.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.1 mt -111.48 102.08 10.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.124 178.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.403 ' HB3' ' CZ ' ' A' ' 109' ' ' TYR . 93.5 m-85 -91.85 96.48 10.42 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.118 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.559 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 56.3 mt -84.74 162.49 50.05 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -179.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.559 ' HD2' ' HB3' ' A' ' 38' ' ' LEU . 30.0 Cg_endo -64.89 -11.21 28.39 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.367 2.044 . . . . 0.0 113.168 -178.202 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.496 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 35.0 t70 -113.35 -54.6 2.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.492 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -138.3 167.27 22.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.782 0.325 . . . . 0.0 110.92 -177.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.43 ' HB ' ' HB2' ' A' ' 10' ' ' PHE . 50.3 t -102.0 142.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.262 -179.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -131.81 164.71 25.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.191 177.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.49 146.9 18.35 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.479 176.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.447 ' HB3' ' OG ' ' A' ' 34' ' ' SER . 2.1 t90 -111.77 153.42 26.55 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -106.48 19.87 19.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.292 0.567 . . . . 0.0 111.047 -173.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.509 HG13 ' HB2' ' A' ' 52' ' ' GLN . 56.0 t -99.64 135.6 34.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.456 -176.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.9 m -113.51 -43.74 3.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.093 0.473 . . . . 0.0 110.506 177.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.414 ' HB2' ' HG3' ' A' ' 52' ' ' GLN . 44.3 mtpt -99.96 142.51 24.76 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.665 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -57.08 -29.73 84.19 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.694 2.263 . . . . 0.0 112.111 175.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -64.46 -24.63 67.69 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.154 176.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.509 ' HB2' HG13 ' A' ' 47' ' ' VAL . 98.5 mt-30 -81.83 4.25 22.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.621 -174.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 71.7 mt -73.38 95.58 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 173.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.443 ' H ' ' HB2' ' A' ' 57' ' ' SER . 15.9 t70 -123.08 163.98 19.49 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.649 -174.256 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -58.37 -34.54 70.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.37 . . . . 0.0 110.934 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -86.61 -14.65 42.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.222 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.443 ' HB2' ' H ' ' A' ' 54' ' ' ASP . 17.4 m -79.26 -28.58 42.39 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 170.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.5 mt -92.23 24.38 3.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.946 175.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -54.85 -47.77 73.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.716 -175.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 60' ' ' ARG . 43.1 ttm180 -71.36 -20.99 62.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.107 0.48 . . . . 0.0 110.442 -178.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 99.9 t -73.15 -38.8 55.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.806 176.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -75.16 -22.18 58.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.757 176.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.47 -49.17 72.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.317 0.579 . . . . 0.0 109.709 174.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.48 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 19.8 m120 -100.93 40.59 1.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.9 175.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.03 -60.72 2.27 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -171.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -86.67 1.97 50.13 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.177 0.513 . . . . 0.0 110.946 -173.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.48 ' HB1' ' HB3' ' A' ' 64' ' ' ASN . . . -85.5 -23.93 27.55 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 171.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.427 HD12 HD21 ' A' ' 38' ' ' LEU . 69.0 mt -102.21 85.97 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.022 173.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -74.66 -42.43 58.51 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.207 0.527 . . . . 0.0 110.203 -176.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 77.4 m -114.98 127.26 55.57 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.915 174.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.6 tp -117.22 111.12 18.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.015 0.436 . . . . 0.0 110.224 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 59.4 mt -98.08 124.58 51.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.718 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 66.9 t -111.67 126.46 69.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.62 0.248 . . . . 0.0 110.822 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -103.47 103.22 2.31 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 175.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.2 p -68.87 -41.75 77.94 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -172.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.45 ' HA2' HG23 ' A' ' 126' ' ' VAL . . . 91.92 115.02 2.06 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.585 -0.817 . . . . 0.0 113.303 177.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 79.21 -47.22 0.39 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.108 0.963 . . . . 0.0 111.643 173.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -138.72 156.95 46.96 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.788 -178.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.0 t -90.31 99.06 8.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.938 0.399 . . . . 0.0 110.719 -178.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -76.0 130.9 39.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.9 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 6.7 tp -88.43 125.53 41.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.149 0.5 . . . . 0.0 110.734 -177.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.411 ' HA ' ' HD3' ' A' ' 83' ' ' PRO . . . -79.77 129.35 71.26 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.453 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 82' ' ' ALA . 51.4 Cg_exo -55.82 148.05 58.31 Favored 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 123.003 2.468 . . . . 0.0 112.508 179.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 42.8 mtm180 -60.79 -37.64 82.59 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.904 -176.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.491 ' HA ' ' OE1' ' A' ' 85' ' ' GLN . 11.8 mm-40 -66.41 -32.47 73.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.772 0.32 . . . . 0.0 111.143 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.0 tp -69.13 -43.97 73.31 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -66.31 -42.26 88.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.538 177.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -56.11 -45.21 79.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.207 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' ' 93' ' ' VAL . . . -67.7 -46.67 71.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.278 -179.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.462 HD13 HD23 ' A' ' 97' ' ' LEU . 84.8 mt -62.53 -40.28 96.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.139 -179.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 91' ' ' ARG . 33.4 ttp180 -69.63 -27.24 64.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.02 0.438 . . . . 0.0 109.921 178.089 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -69.56 -30.51 70.95 Favored Glycine 0 C--N 1.331 0.274 0 N-CA-C 111.605 -0.598 . . . . 0.0 111.605 175.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 89' ' ' ALA . 21.2 t -82.34 -6.45 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 174.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 64.2 t30 69.86 33.89 2.73 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.572 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 70.1 t -98.51 120.93 48.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.808 175.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 49.6 t -77.15 100.87 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.866 0.365 . . . . 0.0 110.247 -179.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.462 HD23 HD13 ' A' ' 90' ' ' LEU . 45.9 tp -86.54 134.73 33.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.451 179.092 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -139.13 116.56 11.26 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 174.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.4 p -100.6 120.31 39.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.408 -177.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 72.8 mtm -140.33 -173.18 3.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.272 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -79.74 160.61 26.16 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.772 173.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.535 ' O ' HG13 ' A' ' 106' ' ' ILE . 3.2 m -59.71 -43.16 94.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.15 -173.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.69 -64.19 4.63 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 121.455 -0.403 . . . . 0.0 113.575 -177.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.39 -31.82 86.63 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.668 2.246 . . . . 0.0 112.714 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.42 -47.06 77.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.119 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' ' 102' ' ' THR . 78.4 mt -58.12 -47.04 88.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 121.014 0.435 . . . . 0.0 110.79 179.364 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.421 ' O ' HG13 ' A' ' 111' ' ' ILE . 66.4 ttt180 -63.28 -47.23 83.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.926 -176.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 26.9 m -63.61 -38.13 89.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -178.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.403 ' CZ ' ' HB3' ' A' ' 37' ' ' PHE . 72.3 t80 -58.53 -51.63 69.05 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.652 177.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -60.54 -41.97 95.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.193 -178.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 107' ' ' ARG . 81.9 mt -60.97 -44.83 98.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.13 -179.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 22.6 mmt -71.64 -40.44 69.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.406 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.407 HD11 ' HA ' ' A' ' 117' ' ' ARG . 28.5 mm -62.67 -31.42 52.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-O 120.98 0.419 . . . . 0.0 110.927 178.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -81.79 7.08 63.45 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.544 178.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -131.41 -81.07 0.52 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 117.055 0.428 . . . . 0.0 110.894 -178.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -107.22 -17.93 14.02 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -174.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.407 ' HA ' HD11 ' A' ' 113' ' ' ILE . 44.0 mtp85 60.14 -136.79 0.69 Allowed 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -173.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 64.31 22.16 12.71 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 122.271 1.034 . . . . 0.0 110.591 174.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 9.7 p -137.31 144.79 30.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.869 -176.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -128.52 152.42 48.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.427 177.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -124.35 121.43 34.95 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.003 0.43 . . . . 0.0 111.246 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -99.72 102.46 13.93 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 174.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 85.1 mt -110.24 124.36 51.47 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.695 -171.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 55.0 mt -100.57 141.84 16.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.338 173.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.61 130.32 42.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.891 0.377 . . . . 0.0 111.269 -178.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.45 HG23 ' HA2' ' A' ' 76' ' ' GLY . 46.7 t -68.45 121.9 82.45 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.282 177.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -54.62 136.82 72.08 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.702 2.268 . . . . 0.0 111.603 176.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 7.2 mp -66.28 104.65 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.014 -176.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 68.3 -80.09 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.794 0.684 . . . . 0.0 111.285 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -146.8 -175.63 4.88 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -177.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 64.1 m170 -66.62 166.28 13.16 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 172.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -110.22 92.28 3.98 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -174.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -107.64 2.46 23.91 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 167.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -112.23 128.25 56.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.623 -1.172 . . . . 0.0 110.129 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 . . . . . 0 C--O 1.245 0.829 0 CA-C-O 118.513 -0.756 . . . . 0.0 110.008 174.674 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.9 ttm . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 120.845 0.355 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.34 97.98 8.6 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.008 0.432 . . . . 0.0 111.093 -177.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -122.87 -163.63 1.12 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.428 176.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 -79.97 127.15 31.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.979 0.419 . . . . 0.0 110.634 -177.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -151.36 143.85 24.23 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 173.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -79.35 141.28 37.07 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.528 -177.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.6 tt -71.48 118.91 70.48 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.401 0.62 . . . . 0.0 112.286 -172.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -89.03 142.05 4.46 Favored 'Trans proline' 0 N--CA 1.454 -0.844 0 C-N-CA 122.939 2.426 . . . . 0.0 111.755 174.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -165.61 -46.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.357 0.599 . . . . 0.0 109.652 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.597 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 73.4 m-85 -117.83 169.33 7.77 Favored Pre-proline 0 C--N 1.321 -0.658 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 173.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.597 ' HD2' ' HB3' ' A' ' 10' ' ' PHE . 2.0 Cg_endo -46.14 -40.47 21.29 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 123.024 2.483 . . . . 0.0 111.92 176.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 31.6 ttt180 61.16 86.13 0.11 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.377 172.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.9 t -144.49 147.02 32.75 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.578 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.494 ' HB3' ' HA ' ' A' ' 110' ' ' ASN . . . -100.41 10.08 41.71 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.877 177.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.84 102.57 10.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.954 -178.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.463 HD12 HG12 ' A' ' 106' ' ' ILE . 58.3 mt -94.03 100.12 10.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 174.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -79.55 -34.06 41.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.899 -171.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.3 89.43 3.13 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.093 0.473 . . . . 0.0 111.515 -176.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.46 ' HH ' ' HA ' ' A' ' 125' ' ' ALA . 31.7 t80 -127.9 103.0 7.02 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.24 0.543 . . . . 0.0 109.897 173.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -173.11 38.55 0.14 Allowed Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 110.301 -1.12 . . . . 0.0 110.301 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.553 ' HG2' ' H ' ' A' ' 22' ' ' GLY . 54.3 tttm -154.05 177.53 10.96 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -174.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.553 ' H ' ' HG2' ' A' ' 21' ' ' LYS . . . -74.31 66.52 1.91 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.667 -0.777 . . . . 0.0 111.864 176.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 148.11 166.45 12.75 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 121.25 -0.5 . . . . 0.0 111.916 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -95.92 117.65 31.03 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -98.83 110.65 23.22 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.336 0.589 . . . . 0.0 110.203 177.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -133.66 177.42 7.72 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.214 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.55 99.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.023 0.44 . . . . 0.0 111.03 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 141.27 -78.1 0.29 Allowed Glycine 0 N--CA 1.444 -0.787 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.517 -178.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 22.5 ptp -147.93 167.85 23.78 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.767 0.318 . . . . 0.0 110.641 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.2 p -96.03 103.52 15.41 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 171.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -84.11 110.31 18.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.491 -174.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -79.53 112.36 16.71 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 173.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 132.17 -153.66 20.66 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.144 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.508 ' HB3' ' HE3' ' A' ' 45' ' ' TRP . 15.3 m -101.27 154.29 18.9 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.886 0.374 . . . . 0.0 111.382 -177.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.401 HD22 ' HA2' ' A' ' 44' ' ' GLY . 50.5 mt -135.09 147.56 49.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.016 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.853 ' HG ' ' HB2' ' A' ' 45' ' ' TRP . 63.1 mt -110.66 99.03 8.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.094 176.147 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.509 ' HB2' ' HB2' ' A' ' 121' ' ' ALA . 86.8 m-85 -81.19 90.43 6.07 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 177.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.456 HD21 HD12 ' A' ' 68' ' ' ILE . 66.5 mt -98.7 157.1 34.82 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.162 -176.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -52.83 -29.58 43.61 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.573 2.182 . . . . 0.0 112.038 173.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -63.47 -66.03 0.6 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.181 173.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -169.37 -175.09 2.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.021 -178.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.1 t -89.93 100.73 11.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -100.03 161.81 13.37 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.642 -177.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.401 ' HA2' HD22 ' A' ' 35' ' ' LEU . . . -82.56 154.81 33.14 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.789 178.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.853 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 15.0 t90 -141.45 150.15 41.92 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -89.36 -152.93 0.25 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 53.5 t 66.68 88.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.172 0.51 . . . . 0.0 111.132 177.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 p -86.25 -27.53 24.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.966 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -105.64 122.21 43.41 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 173.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.472 ' HG2' ' OE2' ' A' ' 51' ' ' GLU . 6.9 Cg_endo -51.01 -32.9 40.41 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 123.381 2.72 . . . . 0.0 113.243 -177.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.472 ' OE2' ' HG2' ' A' ' 50' ' ' PRO . 1.9 mp0 -71.21 84.65 0.75 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.895 0.378 . . . . 0.0 110.353 176.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 178.22 -32.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.026 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 70.6 mt -44.48 107.99 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 O-C-N 124.077 0.86 . . . . 0.0 111.867 -176.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -141.34 -170.97 3.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.66 -177.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -65.5 -34.23 77.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.287 -177.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.606 ' HA ' ' HG2' ' A' ' 59' ' ' GLN . 56.9 m-85 -74.19 -42.47 59.8 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.858 0.361 . . . . 0.0 110.686 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.5 m -65.73 -21.28 66.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.923 0.392 . . . . 0.0 110.879 178.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 99.3 mt -105.22 15.86 26.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.365 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.606 ' HG2' ' HA ' ' A' ' 56' ' ' TYR . 66.0 mm-40 -65.15 -28.5 69.46 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 122.302 -0.249 . . . . 0.0 111.661 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -69.92 -25.8 63.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.175 0.512 . . . . 0.0 109.997 173.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 61.2 t -78.03 -43.54 28.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.713 175.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.464 ' HA ' ' HB3' ' A' ' 65' ' ' ALA . 40.7 m-85 -59.49 -29.65 67.98 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.231 176.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -55.38 -55.49 30.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.57 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -110.22 32.18 5.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.682 -178.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.464 ' HB3' ' HA ' ' A' ' 62' ' ' PHE . . . -69.97 -9.57 55.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.613 -177.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -71.61 -22.56 61.69 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.425 ' O ' ' HA ' ' A' ' 118' ' ' ARG . . . -103.41 3.48 35.12 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.07 0.462 . . . . 0.0 110.569 177.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.456 HD12 HD21 ' A' ' 38' ' ' LEU . 64.0 mt -114.1 105.09 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.767 -176.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -95.88 -33.54 12.17 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.358 0.599 . . . . 0.0 109.908 176.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.1 m -123.88 129.99 51.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.577 177.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.495 HD23 HD13 ' A' ' 97' ' ' LEU . 61.1 tp -118.66 105.71 11.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.037 178.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 51.2 mt -91.69 117.96 36.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.655 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.8 t -105.18 116.06 48.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 120.963 0.411 . . . . 0.0 110.647 -178.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -97.04 101.23 2.57 Favored Glycine 0 N--CA 1.442 -0.903 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 176.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.53 HG21 ' HB3' ' A' ' 80' ' ' TRP . 17.0 p -82.27 10.53 6.76 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.119 0.485 . . . . 0.0 111.984 -173.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.461 ' HA2' HG23 ' A' ' 126' ' ' VAL . . . 117.99 -137.89 13.48 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.99 178.529 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -88.37 -21.12 24.5 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.268 0.556 . . . . 0.0 109.905 177.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -113.15 151.38 30.96 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.419 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 91.3 t -95.07 110.35 23.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.857 0.36 . . . . 0.0 110.915 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.53 ' HB3' HG21 ' A' ' 75' ' ' THR . 54.2 t90 -75.49 137.79 41.15 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 171.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 61.8 mt -87.17 106.86 16.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.988 0.423 . . . . 0.0 110.395 -174.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.32 127.65 87.35 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.356 177.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -57.81 139.96 92.07 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.797 2.331 . . . . 0.0 111.837 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.7 mtp-105 -68.62 -13.85 62.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.852 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -62.94 -52.17 64.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.296 177.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.9 tp -70.26 -38.43 75.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.772 178.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -62.78 -43.33 99.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.631 -178.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.456 ' HA ' ' OE1' ' A' ' 88' ' ' GLU . 1.7 tp10 -70.87 -30.93 67.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.009 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.06 -43.19 93.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.362 176.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 42.9 mt -67.52 -36.31 80.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.353 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.94 -28.04 66.29 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 177.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -61.87 -34.71 89.72 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.489 174.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.519 ' O ' ' HB2' ' A' ' 94' ' ' ASN . 39.0 t -72.45 -80.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 172.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.519 ' HB2' ' O ' ' A' ' 93' ' ' VAL . 9.4 t30 171.02 30.02 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 114.981 -1.009 . . . . 0.0 108.947 174.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 42.2 t -118.7 108.69 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.515 -174.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.2 t -85.28 100.71 8.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.318 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.495 HD13 HD23 ' A' ' 71' ' ' LEU . 9.6 tt -88.13 125.79 34.78 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.846 178.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -134.5 134.47 41.51 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 177.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.1 p -97.54 126.77 43.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.827 -174.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.418 ' O ' ' HA2' ' A' ' 74' ' ' GLY . 88.6 mtp -142.55 -175.59 4.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.792 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.453 ' HB2' ' HD2' ' A' ' 104' ' ' PRO . 21.2 mp0 -78.95 157.99 28.08 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 174.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.562 ' O ' HG13 ' A' ' 106' ' ' ILE . 6.5 p -61.64 -45.63 93.25 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -178.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -54.11 -63.97 4.69 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 121.526 -0.369 . . . . 0.0 113.321 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.453 ' HD2' ' HB2' ' A' ' 101' ' ' GLN . 52.1 Cg_exo -55.0 -35.1 89.23 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.781 2.321 . . . . 0.0 112.7 177.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.62 -41.36 98.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.786 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.562 HG13 ' O ' ' A' ' 102' ' ' THR . 82.7 mt -59.81 -44.87 95.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.184 176.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 54.4 ttp85 -59.87 -55.6 32.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.093 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.471 ' O ' ' HG3' ' A' ' 112' ' ' MET . 62.7 m -60.78 -44.75 96.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.287 -177.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -61.44 -42.88 99.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.791 0.329 . . . . 0.0 110.56 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.494 ' HA ' ' HB3' ' A' ' 14' ' ' ALA . 27.0 t-20 -55.09 -50.66 68.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.756 178.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.34 -43.34 87.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.277 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.471 ' HG3' ' O ' ' A' ' 108' ' ' THR . 83.9 mtp -64.64 -36.34 83.94 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -175.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 26.5 mm -64.31 -46.36 93.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.787 0.327 . . . . 0.0 110.376 176.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -68.71 -19.39 73.12 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.961 -0.637 . . . . 0.0 111.974 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -74.49 -72.03 0.31 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 116' ' ' ARG . 35.0 ttp180 -161.75 18.71 0.11 Allowed 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 120.782 0.325 . . . . 0.0 111.359 -178.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 42.6 mtt85 61.1 -142.11 0.5 Allowed 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.802 177.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.425 ' HA ' ' O ' ' A' ' 67' ' ' ALA . 48.0 mtp180 66.36 23.5 10.66 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.594 0.712 . . . . 0.0 110.799 -179.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.411 HG13 ' HB2' ' A' ' 112' ' ' MET . 7.2 p -134.65 143.05 38.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.003 -178.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.454 ' HB1' HD23 ' A' ' 38' ' ' LEU . . . -128.51 147.01 50.66 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.986 177.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.509 ' HB2' ' HB2' ' A' ' 37' ' ' PHE . . . -120.66 118.42 30.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.895 0.378 . . . . 0.0 111.306 -178.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -99.28 98.94 9.85 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 175.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 88.3 mt -111.24 126.64 55.09 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.451 -172.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 56.3 mt -101.35 138.46 25.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.747 177.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.46 ' HA ' ' HH ' ' A' ' 19' ' ' TYR . . . -65.78 123.79 20.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 111.073 178.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.461 HG23 ' HA2' ' A' ' 76' ' ' GLY . 44.5 t -66.88 124.62 89.13 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.6 179.028 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -73.88 94.19 0.87 Allowed 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.991 1.794 . . . . 0.0 111.036 173.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 11.0 mp -59.57 108.68 0.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.796 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -77.34 105.34 8.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.852 -178.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -126.43 83.3 2.15 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 171.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -123.11 112.43 17.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.938 0.399 . . . . 0.0 110.909 -173.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 65.5 m170 -93.27 -174.37 3.51 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.7 175.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 49.1 m80 -106.09 17.64 23.25 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.303 0.573 . . . . 0.0 110.266 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -148.83 140.16 23.27 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.675 177.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.471 177.93 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.32 101.66 4.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.475 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -134.0 52.41 2.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.733 -178.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 4' ' ' ARG . 22.7 ttt180 -150.75 99.43 2.73 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.056 179.306 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.6 m 69.51 -64.13 0.35 Allowed 'General case' 0 N--CA 1.466 0.352 0 O-C-N 124.028 0.83 . . . . 0.0 111.78 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -78.1 92.51 4.4 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.04 0.447 . . . . 0.0 110.371 177.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.5 pt -67.04 157.39 84.96 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.103 177.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.2 109.65 0.31 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.019 2.48 . . . . 0.0 112.837 -178.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 57.0 p-80 -139.36 174.1 10.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.66 178.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.481 ' CD1' ' HB1' ' A' ' 41' ' ' ALA . 2.3 p90 -69.59 110.74 6.97 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-O 121.07 0.462 . . . . 0.0 111.624 -179.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 10' ' ' PHE . 94.8 Cg_endo -102.25 40.67 0.05 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 124.062 3.175 . . . . 0.0 111.498 178.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.0 ttp180 70.71 104.26 0.06 Allowed 'General case' 0 N--CA 1.463 0.195 0 O-C-N 124.005 0.816 . . . . 0.0 109.434 -170.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.8 m -90.03 103.29 15.97 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.165 0.507 . . . . 0.0 110.381 -176.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.6 9.34 43.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.688 -177.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.439 ' HA ' ' OD1' ' A' ' 110' ' ' ASN . . . -151.37 112.91 4.4 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.697 177.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.443 HD12 HD22 ' A' ' 110' ' ' ASN . 2.2 mp -78.03 131.4 34.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 175.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -70.91 -64.47 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.867 -172.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.513 ' HB3' ' HB3' ' A' ' 25' ' ' TYR . . . -133.81 146.58 50.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.145 0.498 . . . . 0.0 111.798 -175.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -142.83 149.64 38.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.617 177.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 154.63 -160.45 29.61 Favored Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 178.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 ptmm? -67.55 155.93 37.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.895 0.378 . . . . 0.0 110.628 177.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.41 -37.89 3.28 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.057 -175.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.39 157.94 7.47 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.406 ' HE1' HD11 ' A' ' 35' ' ' LEU . 7.1 p90 -77.14 153.64 34.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.945 0.402 . . . . 0.0 110.629 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.513 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 81.3 t80 -139.22 141.61 37.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.793 -172.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -126.96 177.19 6.78 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 175.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.64 97.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.037 0.446 . . . . 0.0 110.99 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.41 -79.31 0.25 Allowed Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.991 -179.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -147.86 164.1 34.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.633 0.254 . . . . 0.0 110.618 -177.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.4 p -102.77 151.05 22.85 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 174.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -138.39 112.55 8.6 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.926 0.393 . . . . 0.0 110.953 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -74.24 153.01 39.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.619 174.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 111.51 -107.44 2.15 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -175.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.603 ' HB3' ' O ' ' A' ' 45' ' ' TRP . 15.8 t -159.2 157.64 31.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.094 0.473 . . . . 0.0 110.542 177.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.448 HD21 ' HA2' ' A' ' 44' ' ' GLY . 73.6 mt -139.5 150.0 44.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.036 178.254 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.706 ' HG ' ' HB2' ' A' ' 45' ' ' TRP . 83.4 mt -100.22 99.18 9.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.47 179.309 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.522 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 66.4 m-85 -89.53 88.9 7.61 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 175.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.442 ' C ' ' H ' ' A' ' 40' ' ' ASP . 75.4 mt -87.22 160.31 48.98 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.831 -178.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.405 ' HD2' ' HB3' ' A' ' 38' ' ' LEU . 67.2 Cg_endo -74.63 32.73 0.36 Allowed 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.722 2.281 . . . . 0.0 112.044 176.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.442 ' H ' ' C ' ' A' ' 38' ' ' LEU . 29.7 t70 -150.92 -58.88 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.076 -175.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.481 ' HB1' ' CD1' ' A' ' 10' ' ' PHE . . . -146.3 167.21 24.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.437 179.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.1 t -110.92 128.62 67.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -127.0 163.28 24.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.727 0.299 . . . . 0.0 111.044 -177.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.448 ' HA2' HD21 ' A' ' 35' ' ' LEU . . . -88.88 135.46 13.03 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.095 -0.574 . . . . 0.0 111.898 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.706 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 5.7 t90 -137.74 92.77 2.71 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -175.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -79.16 84.06 5.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.379 0.609 . . . . 0.0 111.637 -174.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.7 t -124.06 99.12 6.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.259 172.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.1 m -78.46 -31.5 47.95 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.534 -175.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.651 ' HB2' ' HG3' ' A' ' 52' ' ' GLN . 89.1 mttt -113.06 127.67 26.55 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -61.64 -21.11 71.28 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.578 2.185 . . . . 0.0 112.15 178.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -71.91 -7.48 48.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.43 178.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.651 ' HG3' ' HB2' ' A' ' 49' ' ' LYS . 22.4 mt-30 -95.97 12.24 31.12 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.381 -177.239 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.415 HG21 HD23 ' A' ' 86' ' ' LEU . 69.3 mt -81.23 116.9 26.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.325 0.583 . . . . 0.0 110.828 -179.035 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.3 p30 -153.39 -167.08 2.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.863 -176.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.0 mtp-105 -77.88 -11.77 59.92 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.658 0.266 . . . . 0.0 111.303 -179.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -80.77 -44.25 18.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.225 0.536 . . . . 0.0 109.763 177.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.6 p -74.91 -43.78 52.39 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.68 177.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.6 mt -86.34 15.59 5.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.243 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.8 tm0? -52.95 -47.89 67.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.002 0.43 . . . . 0.0 110.748 -177.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.4 ttt-85 -69.82 -30.98 68.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.125 -178.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.9 t -68.85 -40.61 81.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.552 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -65.31 -29.3 70.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.707 176.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -80.4 -40.08 27.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.938 0.399 . . . . 0.0 110.488 179.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -86.34 17.89 3.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.18 -25.69 67.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.735 -177.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -69.96 -8.47 49.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.87 0.367 . . . . 0.0 111.239 178.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.411 ' O ' ' HB3' ' A' ' 118' ' ' ARG . . . -121.64 11.88 10.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.859 179.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 79.4 mt -136.7 119.59 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.88 -177.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -112.46 -25.06 9.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.818 0.342 . . . . 0.0 110.385 175.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.2 m -125.14 126.24 44.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.422 178.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.5 tp -116.79 104.93 11.83 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 178.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 59.8 mt -99.96 116.31 42.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.2 t -107.9 113.35 43.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.089 -175.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.417 ' HA3' ' HA ' ' A' ' 102' ' ' THR . . . -85.06 94.64 1.91 Allowed Glycine 0 N--CA 1.444 -0.786 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 170.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.502 HG22 ' HB3' ' A' ' 80' ' ' TRP . 16.5 p -67.45 -13.33 61.93 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -167.652 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.99 121.19 1.39 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.512 -0.851 . . . . 0.0 113.494 173.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.515 ' H ' HG12 ' A' ' 126' ' ' VAL . . . 76.47 -43.78 0.47 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.257 1.023 . . . . 0.0 111.76 173.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -152.29 177.32 10.69 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.2 t -92.53 106.81 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.096 0.474 . . . . 0.0 110.871 -176.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.502 ' HB3' HG22 ' A' ' 75' ' ' THR . 83.7 t90 -92.78 117.9 30.51 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.787 178.03 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 64.3 mt -87.41 116.49 29.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.345 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.61 140.8 97.62 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.296 -178.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -53.59 147.11 40.41 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 123.05 2.5 . . . . 0.0 112.377 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -55.22 -41.58 72.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.133 -175.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 50.0 tp60 -70.54 -37.04 74.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.742 0.306 . . . . 0.0 110.819 -176.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.415 HD23 HG21 ' A' ' 53' ' ' ILE . 58.3 tp -65.58 -42.9 91.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.27 0.557 . . . . 0.0 109.703 177.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 66.2 ttt180 -62.05 -43.38 98.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.226 177.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -66.43 -33.01 74.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.195 -179.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.05 96.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.024 0.44 . . . . 0.0 110.691 177.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.541 HD13 HD22 ' A' ' 97' ' ' LEU . 95.8 mt -70.01 -42.85 72.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.801 178.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -70.7 -21.17 62.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.456 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -66.34 -38.74 93.9 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 121.173 -0.537 . . . . 0.0 112.573 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.539 ' O ' ' HB2' ' A' ' 94' ' ' ASN . 19.5 m -81.79 -45.82 20.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.316 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.539 ' HB2' ' O ' ' A' ' 93' ' ' VAL . 66.6 t30 165.74 -21.95 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.794 0 O-C-N 123.487 0.492 . . . . 0.0 111.283 -178.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 48.4 t -69.87 125.64 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.198 0.523 . . . . 0.0 111.932 -169.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.2 t -87.66 108.34 18.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.454 173.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.541 HD22 HD13 ' A' ' 90' ' ' LEU . 69.9 tp -86.36 124.41 32.68 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.546 -179.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -130.67 114.58 15.58 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.991 0.424 . . . . 0.0 110.024 178.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.7 p -98.29 133.65 42.4 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.426 -176.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 22.9 ptp -161.27 -172.92 3.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.215 179.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -75.65 157.38 33.77 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 177.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.505 ' O ' HG13 ' A' ' 106' ' ' ILE . 4.3 m -58.55 -41.94 86.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.795 -176.094 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.25 -64.86 4.01 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 121.447 -0.406 . . . . 0.0 113.399 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.27 -34.08 78.24 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.788 2.325 . . . . 0.0 112.745 177.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.26 -46.12 91.69 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.9 0.381 . . . . 0.0 110.525 178.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 102' ' ' THR . 72.8 mt -58.97 -49.22 83.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.425 176.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -54.95 -52.26 63.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.248 -179.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.3 m -61.76 -36.6 81.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.415 -176.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -63.05 -46.7 86.27 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.644 177.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.443 HD22 HD12 ' A' ' 16' ' ' ILE . 29.6 m-80 -58.35 -31.84 67.97 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.162 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 49.3 mm -77.08 -54.1 13.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.032 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.496 ' HB2' HG13 ' A' ' 119' ' ' VAL . 25.4 mmt -67.87 -29.25 68.32 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -172.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 10.9 tp -63.49 -27.39 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.959 0.409 . . . . 0.0 110.946 -177.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -71.42 -29.27 68.36 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.036 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -91.78 13.65 17.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.67 0.271 . . . . 0.0 111.215 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 60.54 24.24 13.92 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.543 178.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -71.91 138.47 48.16 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.411 ' HB3' ' O ' ' A' ' 67' ' ' ALA . 60.6 mtt180 -78.15 67.3 3.95 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.301 0.572 . . . . 0.0 110.202 -178.396 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.496 HG13 ' HB2' ' A' ' 112' ' ' MET . 3.5 p -102.54 121.91 54.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.868 -177.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -103.11 121.41 42.57 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.723 176.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.522 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -98.51 104.47 16.51 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.079 0.466 . . . . 0.0 110.908 -179.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -89.07 98.41 11.75 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 175.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 86.4 mt -101.69 110.63 22.65 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.185 -172.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 64.1 mt -93.34 134.71 30.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 174.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -75.75 146.72 39.83 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.775 -177.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.515 HG12 ' H ' ' A' ' 77' ' ' ALA . 23.2 m -74.05 118.85 72.83 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.775 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.493 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 7.8 Cg_exo -74.28 0.66 8.24 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.824 2.349 . . . . 0.0 111.989 178.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 28.0 tp 65.42 -80.79 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.16 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -122.49 24.1 9.39 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.658 0.742 . . . . 0.0 109.228 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.42 ' HA ' ' HB2' ' A' ' 127' ' ' PRO . 84.8 m-70 75.0 -44.0 0.53 Allowed 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.649 178.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 43.0 m80 -130.12 154.35 47.58 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 175.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -71.4 92.47 1.08 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.04 0.448 . . . . 0.0 111.455 -177.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 49.0 m170 59.48 -96.63 0.07 Allowed 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.095 178.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.419 ' O ' ' HB3' ' A' ' 135' ' ' HIS . 20.4 p-80 -171.07 138.26 1.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 175.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.419 ' HB3' ' O ' ' A' ' 134' ' ' HIS . 56.0 t60 . . . . . 0 C--O 1.244 0.815 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.105 -174.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.2 ttp . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 110.55 -0.167 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.13 -175.22 0.15 Allowed 'General case' 0 C--O 1.236 0.371 0 O-C-N 123.579 0.549 . . . . 0.0 111.536 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -91.37 118.74 30.78 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 4' ' ' ARG . 31.5 mtm180 -89.66 -70.7 0.65 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.956 -175.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 p -95.99 102.75 14.58 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.299 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -89.8 150.59 22.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.663 -177.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.3 pt -99.42 98.1 6.39 Favored Pre-proline 0 C--N 1.32 -0.716 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 168.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -68.07 -11.36 31.8 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.793 2.329 . . . . 0.0 113.465 -169.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.447 ' C ' ' HD3' ' A' ' 11' ' ' PRO . 64.5 t60 66.39 171.34 0.24 Allowed 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 -178.425 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.438 ' CD2' ' HB ' ' A' ' 42' ' ' VAL . 0.8 OUTLIER -119.18 78.39 17.92 Favored Pre-proline 0 C--N 1.322 -0.619 0 O-C-N 121.464 -0.773 . . . . 0.0 110.226 177.465 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.447 ' HD3' ' C ' ' A' ' 9' ' ' HIS . 83.4 Cg_endo -104.04 161.3 0.22 Allowed 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 123.753 2.969 . . . . 0.0 113.469 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.6 mmm-85 56.38 32.31 20.32 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.659 169.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.532 ' HB ' HG23 ' A' ' 42' ' ' VAL . 8.6 m -90.1 106.23 18.34 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.879 0.371 . . . . 0.0 110.533 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.442 ' HB1' HG23 ' A' ' 113' ' ' ILE . . . -129.03 6.48 5.43 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.349 179.052 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.38 102.22 14.9 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.468 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.456 HD13 HG23 ' A' ' 106' ' ' ILE . 67.5 mt -103.03 121.39 54.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 175.394 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -80.69 -59.81 2.54 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.174 -171.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.533 ' HB1' ' HB3' ' A' ' 25' ' ' TYR . . . -126.97 153.52 45.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.015 0.436 . . . . 0.0 110.71 -178.027 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -132.5 114.06 13.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.421 -178.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 141.06 -77.4 0.3 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.357 178.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -74.65 139.81 43.82 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.928 0.394 . . . . 0.0 110.394 -179.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.35 18.83 58.97 Favored Glycine 0 CA--C 1.52 0.359 0 CA-C-N 115.489 -0.778 . . . . 0.0 112.716 -176.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.409 ' HA3' ' HA ' ' A' ' 32' ' ' GLN . . . 75.08 -104.69 1.77 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.948 -178.262 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -107.4 108.3 19.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.0 0.429 . . . . 0.0 110.205 176.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.533 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 85.3 t80 -103.43 120.84 41.6 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.242 178.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -135.99 177.2 8.02 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 176.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.83 96.79 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.964 0.412 . . . . 0.0 110.512 178.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 146.45 -60.9 0.47 Allowed Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.627 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 22.3 ptp -147.88 161.63 40.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.993 0.425 . . . . 0.0 111.869 -175.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.0 m -101.46 96.87 7.43 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 168.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -105.51 105.47 15.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.138 0.494 . . . . 0.0 111.569 -171.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.409 ' HA ' ' HA3' ' A' ' 23' ' ' GLY . 5.4 pm0 -84.59 159.0 20.73 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 172.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.19 -111.97 3.34 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.474 -0.87 . . . . 0.0 111.526 -178.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.501 ' OG ' ' HB3' ' A' ' 45' ' ' TRP . 20.7 p -151.74 156.17 39.75 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.19 0.519 . . . . 0.0 111.34 178.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 90.3 mt -128.85 135.9 49.73 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.963 177.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.0 tt -108.71 105.54 15.18 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.492 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 97.6 m-85 -94.65 131.53 40.33 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.777 -178.287 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.2 mt -117.85 161.08 36.01 Favored Pre-proline 0 C--N 1.318 -0.765 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 175.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -47.69 -30.47 12.7 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.168 2.578 . . . . 0.0 114.027 -176.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -137.26 19.69 2.96 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -178.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -153.15 153.54 32.98 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.791 -176.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.532 HG23 ' HB ' ' A' ' 13' ' ' THR . 59.6 t -129.34 121.58 53.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 174.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -119.97 143.67 47.9 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.938 0.399 . . . . 0.0 110.995 -177.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.57 118.21 5.17 Favored Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 173.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.501 ' HB3' ' OG ' ' A' ' 34' ' ' SER . 2.1 t90 -87.16 141.11 28.89 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -176.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -91.7 10.61 27.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.836 0.827 . . . . 0.0 111.127 -172.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 91.9 t -91.73 117.0 34.11 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.895 -175.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.0 m -108.25 -3.5 18.39 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.462 0.648 . . . . 0.0 110.172 -179.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.588 ' HB2' ' HB2' ' A' ' 52' ' ' GLN . 50.3 mttp -128.03 124.43 23.13 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.046 -178.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.28 -39.46 86.67 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.565 2.177 . . . . 0.0 112.724 178.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -84.2 9.57 12.5 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 121.363 0.601 . . . . 0.0 110.796 -178.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.588 ' HB2' ' HB2' ' A' ' 49' ' ' LYS . 53.9 tt0 -91.03 -9.28 46.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.333 0.587 . . . . 0.0 110.417 179.135 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.422 HD12 ' CZ3' ' A' ' 80' ' ' TRP . 66.1 mt -67.72 105.64 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.359 0.599 . . . . 0.0 110.891 -179.103 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.75 ' H ' ' HB3' ' A' ' 57' ' ' SER . 2.8 p-10 -130.38 -168.81 2.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.007 -178.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.78 -43.4 90.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.122 -178.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -80.51 -31.05 37.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.454 -176.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.75 ' HB3' ' H ' ' A' ' 54' ' ' ASP . 38.3 t -61.03 -36.8 80.52 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.254 0.549 . . . . 0.0 110.187 175.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.5 HD23 HG22 ' A' ' 61' ' ' VAL . 92.8 mt -93.53 24.83 3.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.995 179.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -52.04 -44.3 64.15 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.046 0.45 . . . . 0.0 110.744 178.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -73.12 -21.33 60.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.906 -177.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.5 HG22 HD23 ' A' ' 58' ' ' LEU . 87.0 t -80.8 -47.1 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.272 179.319 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -66.37 -33.94 76.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.846 0.355 . . . . 0.0 110.284 176.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -57.04 -54.91 41.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.27 178.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -107.7 30.19 6.53 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.27 -175.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.04 -30.59 68.14 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.617 -178.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -62.69 -23.44 67.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.486 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -98.41 -0.17 44.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.025 0.44 . . . . 0.0 111.05 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 67.4 mt -108.84 136.49 44.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.979 -176.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -116.78 -61.64 1.69 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 172.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.0 m -104.97 126.78 52.4 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.355 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.6 tp -112.34 107.19 15.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.008 0.433 . . . . 0.0 110.188 178.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 61.3 mt -94.2 113.25 28.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.917 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 80.9 t -107.75 116.54 51.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.85 0.357 . . . . 0.0 110.858 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -95.09 109.7 3.89 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 175.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.46 ' CG2' ' HB3' ' A' ' 80' ' ' TRP . 72.2 p -88.75 13.13 13.11 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -172.005 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.41 -139.3 14.46 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.524 178.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.33 -47.64 33.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.908 0.385 . . . . 0.0 111.153 -176.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -97.45 156.27 16.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.008 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.4 t -87.56 111.05 21.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -176.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.46 ' HB3' ' CG2' ' A' ' 75' ' ' THR . 58.7 t90 -88.8 123.23 33.0 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 174.414 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 11.0 tt -93.27 116.04 33.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.302 0.572 . . . . 0.0 110.148 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.69 133.67 89.15 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.757 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -51.16 136.52 45.84 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.702 2.268 . . . . 0.0 111.2 177.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.42 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 71.8 ttt180 -59.12 -35.85 74.18 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 121.217 -0.193 . . . . 0.0 111.268 -174.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -61.05 -39.37 89.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.961 0.41 . . . . 0.0 110.552 177.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.487 HD13 HD11 ' A' ' 58' ' ' LEU . 55.8 tp -72.26 -42.25 65.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.157 177.401 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -57.33 -51.1 70.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.711 178.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 84' ' ' ARG . 10.9 mm-40 -66.66 -30.29 70.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.203 -177.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.88 -46.68 80.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.872 0.368 . . . . 0.0 110.575 176.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.781 HD12 HD23 ' A' ' 97' ' ' LEU . 91.0 mt -70.51 -41.86 72.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.718 178.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 56.9 ttp85 -63.34 -28.01 69.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.682 -178.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -74.99 -30.71 58.82 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.454 178.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.471 HG21 HG23 ' A' ' 95' ' ' VAL . 30.1 m -96.08 29.64 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 O-C-N 122.71 -0.288 . . . . 0.0 111.287 -178.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.2 t30 77.51 0.67 2.93 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.976 171.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.471 HG23 HG21 ' A' ' 93' ' ' VAL . 65.2 t -87.38 107.45 17.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 O-C-N 122.011 -0.431 . . . . 0.0 110.873 -177.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.2 t -76.67 93.96 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.155 0.502 . . . . 0.0 109.867 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.781 HD23 HD12 ' A' ' 90' ' ' LEU . 54.3 tp -83.07 120.31 25.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.236 -177.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -129.83 125.18 35.08 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.5 p -103.87 126.04 50.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.522 -176.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 24.5 ptp -147.99 175.94 10.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.467 -177.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -72.53 159.91 33.16 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 176.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.481 ' O ' HG13 ' A' ' 106' ' ' ILE . 0.1 OUTLIER -63.14 -31.53 72.7 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -178.419 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.55 -67.06 2.41 Favored Glycine 0 CA--C 1.522 0.489 0 C-N-CA 121.117 -0.564 . . . . 0.0 112.414 178.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -57.96 -29.16 85.67 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.663 2.242 . . . . 0.0 112.485 176.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.05 -48.37 78.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.065 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 102' ' ' THR . 78.8 mt -60.38 -42.53 91.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-O 120.82 0.343 . . . . 0.0 110.254 178.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -57.06 -56.02 27.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.724 177.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.5 m -64.55 -41.63 96.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.453 -175.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -61.07 -47.86 84.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.806 -0.179 . . . . 0.0 111.291 -178.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -60.33 -37.34 80.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.011 0.434 . . . . 0.0 110.59 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 76.7 mt -74.18 -43.53 50.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 178.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 17.8 mmt -61.5 -43.32 99.07 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -177.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.442 HG23 ' HB1' ' A' ' 14' ' ' ALA . 10.8 tp -68.89 -26.04 31.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.941 0.4 . . . . 0.0 110.421 -179.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -85.49 -21.67 53.36 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.161 178.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -85.26 -4.47 59.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.14 0.495 . . . . 0.0 110.054 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 63.39 66.51 0.7 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.703 176.255 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 35.8 mtp-105 -127.59 170.89 12.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.03 176.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -84.58 86.26 7.33 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 176.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 7.6 p -120.02 137.07 55.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 121.222 0.534 . . . . 0.0 111.433 -175.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -122.14 142.27 50.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.324 -0.853 . . . . 0.0 108.886 173.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.492 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -125.78 118.46 25.6 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.016 0.436 . . . . 0.0 111.517 -175.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -103.76 95.99 6.4 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 75.5 mt -103.65 116.57 32.59 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.199 -173.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 60.3 mt -101.84 128.04 54.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.492 176.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.84 163.08 28.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.71 -178.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 19.0 m -65.04 129.38 94.47 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.52 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -66.23 96.19 0.33 Allowed 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.944 2.429 . . . . 0.0 112.311 -178.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 93.5 mt -79.89 166.31 21.79 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.294 178.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -65.96 -75.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.367 0.603 . . . . 0.0 110.491 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.3 p80 175.35 -170.15 0.05 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 -178.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -65.35 109.18 2.18 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 172.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -66.99 -25.95 66.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.646 -174.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 42.1 t-80 -78.4 83.82 4.6 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 174.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -167.77 102.16 0.48 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.427 -177.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 2.4 p80 . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.189 174.382 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.0 mmt . . . . . 0 N--CA 1.482 1.142 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -51.64 -65.65 0.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -171.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.484 ' O ' ' HB3' ' A' ' 4' ' ' ARG . 8.0 tt0 -90.44 59.56 4.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.291 -0.256 . . . . 0.0 111.399 -173.019 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.484 ' HB3' ' O ' ' A' ' 3' ' ' GLN . 12.3 ptm180 176.79 -26.72 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 173.18 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 p -152.11 70.31 0.92 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.23 0.538 . . . . 0.0 111.127 179.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -106.63 98.66 8.31 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.655 178.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.7 mt 60.44 81.9 0.23 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.746 -176.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -75.56 -21.15 15.12 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.762 2.308 . . . . 0.0 112.192 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.51 ' HD2' ' O ' ' A' ' 10' ' ' PHE . 15.6 p-80 -171.2 170.08 6.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.601 -177.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.51 ' O ' ' HD2' ' A' ' 9' ' ' HIS . 68.0 m-85 -61.63 141.96 94.62 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 174.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 10' ' ' PHE . 16.6 Cg_exo -69.06 53.55 0.84 Allowed 'Trans proline' 0 N--CA 1.476 0.497 0 C-N-CA 123.597 2.865 . . . . 0.0 114.149 -172.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 50.3 ttp180 52.94 82.38 0.07 Allowed 'General case' 0 C--O 1.235 0.308 0 C-N-CA 123.295 0.638 . . . . 0.0 111.659 174.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.43 ' HB ' ' CG2' ' A' ' 42' ' ' VAL . 20.0 m -101.03 103.4 14.52 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.186 0.517 . . . . 0.0 110.615 179.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.504 ' HB3' HG23 ' A' ' 113' ' ' ILE . . . -119.68 -25.8 5.85 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.804 177.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.34 104.61 17.12 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.837 177.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.486 ' HB ' HG23 ' A' ' 106' ' ' ILE . 57.0 mt -75.79 126.01 36.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.278 -177.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.565 ' HB3' ' HA ' ' A' ' 26' ' ' PHE . 45.0 t0 -68.57 -74.23 0.13 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.751 -173.065 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -163.48 176.62 9.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.925 0.393 . . . . 0.0 111.511 -179.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -149.1 159.32 44.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.812 176.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -138.69 -159.42 8.05 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.867 -0.683 . . . . 0.0 111.68 179.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.549 ' HD3' ' H ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -84.42 -20.07 32.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.979 0.418 . . . . 0.0 110.322 179.619 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.594 ' O ' ' HA ' ' A' ' 31' ' ' HIS . . . -101.83 37.01 3.85 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.56 179.348 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.02 -167.1 20.44 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.11 -179.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -79.86 156.74 27.2 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.86 0.362 . . . . 0.0 110.647 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -137.1 96.08 3.22 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.565 ' HA ' ' HB3' ' A' ' 17' ' ' ASP . 17.2 p90 -132.99 120.77 21.83 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.583 -173.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 60.87 17.21 7.55 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.291 174.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 109.58 -13.57 32.75 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.232 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 86.8 mtp -87.64 126.91 35.23 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.8 t -133.51 173.34 11.59 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.028 -173.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.594 ' HA ' ' O ' ' A' ' 22' ' ' GLY . 18.8 m-70 65.21 25.46 12.32 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.882 177.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.496 ' HG2' HD22 ' A' ' 35' ' ' LEU . 56.4 tp60 -96.47 112.82 24.42 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 175.398 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.51 -40.18 39.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.932 -0.652 . . . . 0.0 113.397 -174.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.697 ' HB2' ' HB3' ' A' ' 45' ' ' TRP . 0.9 OUTLIER -136.38 140.62 43.36 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.97 0.385 . . . . 0.0 110.963 -176.426 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.496 HD22 ' HG2' ' A' ' 32' ' ' GLN . 50.8 mt -132.11 139.6 48.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.513 ' HG ' ' HB2' ' A' ' 45' ' ' TRP . 97.6 mt -106.31 98.14 7.85 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.984 177.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.413 ' CE1' HD12 ' A' ' 123' ' ' LEU . 69.5 m-85 -86.01 94.29 9.19 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.713 -179.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.4 mt -89.27 160.17 43.19 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 175.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -72.49 44.8 0.76 Allowed 'Trans proline' 0 CA--C 1.535 0.548 0 C-N-CA 122.942 2.428 . . . . 0.0 112.983 -177.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -173.87 -57.3 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.297 0.57 . . . . 0.0 109.979 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.499 ' HB3' ' HD1' ' A' ' 10' ' ' PHE . . . -130.69 152.34 50.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.914 -177.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.43 ' CG2' ' HB ' ' A' ' 13' ' ' THR . 59.3 t -110.1 122.68 65.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.045 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 88.2 m95 -112.91 171.54 7.47 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.688 -177.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.74 153.51 21.26 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.907 -0.664 . . . . 0.0 112.59 -178.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.697 ' HB3' ' HB2' ' A' ' 34' ' ' SER . 2.8 t90 -134.88 160.33 38.59 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.571 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -121.01 29.12 7.52 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.374 0.606 . . . . 0.0 111.722 -171.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.538 HG12 ' HB2' ' A' ' 52' ' ' GLN . 74.1 t -111.25 97.81 6.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 O-C-N 121.691 -0.63 . . . . 0.0 110.852 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.2 m -86.78 -33.06 20.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.282 0.563 . . . . 0.0 110.539 -179.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.401 ' HB3' ' HE3' ' A' ' 49' ' ' LYS . 30.3 mtpp -106.85 126.37 30.4 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 175.209 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -60.19 -11.94 17.84 Favored 'Trans proline' 0 N--CA 1.474 0.356 0 C-N-CA 122.917 2.411 . . . . 0.0 112.951 -176.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -86.45 1.92 49.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.043 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.538 ' HB2' HG12 ' A' ' 47' ' ' VAL . 52.9 mt-30 -94.4 -8.45 38.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.883 178.025 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 65.2 mt -68.75 104.29 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.289 0.566 . . . . 0.0 111.955 -173.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -109.62 167.91 9.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.095 173.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -55.51 -39.77 70.92 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.857 0.36 . . . . 0.0 110.742 175.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -81.42 -12.07 59.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.662 -178.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.9 m -76.78 -25.91 53.88 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 170.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.0 mt -97.12 19.42 12.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.282 177.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -53.66 -44.72 69.87 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.259 0.552 . . . . 0.0 110.889 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -71.77 -19.88 61.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.337 -177.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.6 t -87.12 -49.01 15.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.045 -176.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -59.47 -30.24 68.38 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.877 0.37 . . . . 0.0 111.447 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -68.3 -40.8 81.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.117 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -96.17 13.91 25.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.462 0.649 . . . . 0.0 110.29 -175.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.71 -16.81 43.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.534 -175.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 35.9 p30 -67.82 -22.55 65.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.766 0.317 . . . . 0.0 111.248 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -103.99 4.17 34.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.968 0.413 . . . . 0.0 110.448 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 51.0 mt -107.17 89.61 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.86 -177.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -75.13 -47.85 26.6 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.377 -0.829 . . . . 0.0 108.991 172.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.454 ' HB ' HG21 ' A' ' 119' ' ' VAL . 25.0 m -117.95 128.5 54.86 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.078 176.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 51.6 tp -110.33 111.31 22.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.002 177.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 75.2 mt -97.34 122.44 48.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.583 -179.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.6 t -104.8 106.9 21.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 175.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -99.97 98.71 1.94 Allowed Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.904 -178.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.491 ' O ' ' HA ' ' A' ' 101' ' ' GLN . 16.6 p -99.45 121.91 41.8 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.072 0.463 . . . . 0.0 111.275 -177.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -87.97 42.35 3.1 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.625 -0.797 . . . . 0.0 111.902 177.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -149.85 79.48 1.37 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 120.78 0.324 . . . . 0.0 110.616 -176.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.2 t70 66.04 -157.88 0.26 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.973 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 38.7 t -96.48 96.94 5.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 176.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 72.4 t90 -90.87 111.77 23.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.037 0.446 . . . . 0.0 110.509 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 11.0 tt -92.09 131.93 37.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.838 175.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.16 132.98 87.85 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.682 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -57.6 145.56 88.65 Favored 'Trans proline' 0 C--O 1.236 0.382 0 C-N-CA 122.818 2.345 . . . . 0.0 111.286 177.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.439 ' HD3' ' N ' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -63.41 -28.53 70.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.123 -173.606 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.439 ' N ' ' HD3' ' A' ' 84' ' ' ARG . 7.7 tt0 -60.08 -43.85 95.19 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.888 0.375 . . . . 0.0 110.048 177.001 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.2 tp -76.95 -44.55 30.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.397 -178.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 61.0 ttp85 -57.65 -47.97 80.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.21 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -78.94 -21.74 46.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.485 -177.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.61 -43.09 77.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.96 0.409 . . . . 0.0 109.942 173.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.603 HD11 HD21 ' A' ' 97' ' ' LEU . 96.0 mt -67.1 -34.57 77.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.364 176.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -59.91 -34.13 72.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.245 176.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -63.44 -27.39 70.74 Favored Glycine 0 CA--C 1.518 0.227 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.217 177.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.438 ' O ' ' HB2' ' A' ' 94' ' ' ASN . 8.0 t -90.86 -2.48 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.158 0.504 . . . . 0.0 109.738 178.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.462 ' N ' HD21 ' A' ' 94' ' ' ASN . 0.9 OUTLIER 73.62 23.26 2.44 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.262 179.423 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.7 t -91.2 124.96 43.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.404 179.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.2 t -78.64 109.77 13.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.36 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.603 HD21 HD11 ' A' ' 90' ' ' LEU . 63.5 tp -92.37 133.94 35.4 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.425 -177.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -142.65 129.84 20.92 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 175.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.5 t -123.01 138.78 54.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.017 0.436 . . . . 0.0 111.346 -176.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -160.79 -171.88 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.706 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.491 ' HA ' ' O ' ' A' ' 75' ' ' THR . 26.1 mp0 -80.23 159.83 25.79 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 179.227 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.476 ' O ' HG13 ' A' ' 106' ' ' ILE . 3.5 m -51.78 -47.88 64.01 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 123.552 0.533 . . . . 0.0 112.121 -176.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -54.39 -65.45 3.49 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 121.245 -0.502 . . . . 0.0 113.012 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.16 -34.42 78.57 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.713 2.275 . . . . 0.0 112.685 176.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.34 -44.71 94.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.151 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.486 HG23 ' HB ' ' A' ' 16' ' ' ILE . 77.7 mt -56.65 -49.4 78.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.106 0.479 . . . . 0.0 110.299 177.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 107' ' ' ARG . 43.4 ttp180 -61.41 -45.05 95.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.665 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 45.7 m -64.07 -45.38 89.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.269 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -65.31 -43.35 91.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.652 0.263 . . . . 0.0 110.771 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -59.49 -30.67 68.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.792 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 77.1 mt -82.06 -49.54 17.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.948 0.404 . . . . 0.0 110.829 175.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.428 ' HA ' ' HB3' ' A' ' 115' ' ' GLU . 47.9 mtt -64.59 -28.36 69.57 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -174.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.504 HG23 ' HB3' ' A' ' 14' ' ' ALA . 10.7 tp -62.82 -32.01 54.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.865 0.364 . . . . 0.0 110.505 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -89.87 -29.21 16.21 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.603 176.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.428 ' HB3' ' HA ' ' A' ' 112' ' ' MET . 31.2 tt0 -69.62 -62.37 1.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.886 0.374 . . . . 0.0 111.45 179.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.416 ' O ' ' HG3' ' A' ' 118' ' ' ARG . 60.3 mtt180 -100.72 -33.93 10.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.65 -172.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 46.7 tpt85 67.97 7.79 6.03 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.604 0.716 . . . . 0.0 110.434 -178.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 116' ' ' ARG . 55.4 mtp180 -127.1 31.76 5.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.084 -177.16 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.454 HG21 ' HB ' ' A' ' 70' ' ' THR . 7.4 p -111.8 136.49 47.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.014 0.435 . . . . 0.0 111.03 -175.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -120.6 136.35 54.83 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.791 177.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -118.39 117.78 30.0 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.036 0.446 . . . . 0.0 111.503 -176.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -95.17 99.53 11.48 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 173.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.413 HD12 ' CE1' ' A' ' 37' ' ' PHE . 66.0 mt -100.96 133.39 45.51 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.143 0.497 . . . . 0.0 111.847 -172.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 64.2 mt -115.93 135.49 55.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.224 175.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.64 -174.26 2.9 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.031 0.443 . . . . 0.0 111.352 -179.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 45.7 t -88.75 114.97 62.11 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.055 179.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.403 ' HB2' ' HG3' ' A' ' 129' ' ' GLU . 33.7 Cg_endo -65.25 140.99 66.96 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.4 2.067 . . . . 0.0 111.956 179.051 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.403 HD11 ' N ' ' A' ' 128' ' ' LEU . 4.6 mp -83.86 56.58 3.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.071 0.463 . . . . 0.0 110.613 -177.522 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.403 ' HG3' ' HB2' ' A' ' 127' ' ' PRO . 49.0 mt-10 -97.35 -7.0 32.96 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.283 -177.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.69 138.65 53.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.047 0.451 . . . . 0.0 110.823 177.016 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -81.91 130.87 35.2 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.727 -176.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 32.3 p-80 -134.72 127.82 31.75 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 172.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -96.26 -66.21 0.92 Allowed 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -177.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -93.89 133.61 37.14 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 174.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 . . . . . 0 C--O 1.247 0.952 0 CA-C-O 117.892 -1.051 . . . . 0.0 109.547 -173.662 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ttt . . . . . 0 N--CA 1.482 1.138 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -127.84 123.42 35.08 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 176.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -84.48 42.05 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.642 0.734 . . . . 0.0 110.739 -176.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -137.63 141.57 41.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.166 -0.925 . . . . 0.0 108.873 176.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.1 t -151.48 27.96 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.088 0.47 . . . . 0.0 110.824 -175.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -90.89 -0.2 57.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.985 -175.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.1 tt -75.96 110.34 10.69 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.069 176.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -93.11 -174.93 0.47 Allowed 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 122.892 2.395 . . . . 0.0 113.155 -175.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.507 ' O ' ' HD3' ' A' ' 11' ' ' PRO . 80.4 m80 -133.79 150.97 51.45 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 176.127 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.741 ' HE2' ' HE2' ' A' ' 29' ' ' MET . 71.4 m-85 -101.14 101.96 18.57 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-O 121.021 0.439 . . . . 0.0 110.685 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.507 ' HD3' ' O ' ' A' ' 9' ' ' HIS . 15.5 Cg_endo -91.35 113.64 0.38 Allowed 'Trans proline' 0 N--CA 1.448 -1.154 0 C-N-CA 123.541 2.827 . . . . 0.0 112.203 -178.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' A' ' 39' ' ' PRO . 24.0 ttm-85 62.28 29.75 17.4 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.672 177.196 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.3 m -90.6 103.41 16.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.875 -178.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -108.38 24.48 12.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.78 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -103.43 103.27 13.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.176 -177.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.7 mt -100.95 112.93 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 175.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -91.56 -8.67 46.77 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -174.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.524 ' HB2' ' HB3' ' A' ' 25' ' ' TYR . . . -154.51 124.46 6.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.085 0.469 . . . . 0.0 111.804 175.259 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -137.16 137.01 38.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.238 0.542 . . . . 0.0 110.737 175.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 152.27 -167.39 31.29 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt 64.33 -83.05 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.943 0.437 . . . . 0.0 111.046 176.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.819 ' HA3' HD13 ' A' ' 128' ' ' LEU . . . -174.65 27.28 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 179.043 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -165.4 168.19 39.29 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.432 -178.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -104.01 120.59 41.39 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.524 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . 86.3 t80 -109.86 113.38 26.06 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 175.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -142.22 127.89 19.19 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.804 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 64.2 11.14 6.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.057 -0.974 . . . . 0.0 113.018 172.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 130.22 -23.53 4.6 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 119.937 -1.125 . . . . 0.0 113.967 175.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.741 ' HE2' ' HE2' ' A' ' 10' ' ' PHE . 13.0 ptp -106.6 144.46 33.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 117.757 0.778 . . . . 0.0 111.304 -178.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.5 t -117.18 100.44 7.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.222 176.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -108.35 121.18 44.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.679 0.276 . . . . 0.0 110.517 -176.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -86.41 152.67 22.51 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.002 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.91 -132.09 10.94 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.29 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.474 ' HB3' ' HE3' ' A' ' 45' ' ' TRP . 40.2 m -121.09 154.14 36.52 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.808 0.337 . . . . 0.0 110.896 -177.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 88.6 mt -138.52 152.33 48.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.844 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.874 ' HG ' ' HB2' ' A' ' 45' ' ' TRP . 82.8 mt -110.69 104.56 13.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.305 178.127 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.445 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 97.1 m-85 -90.33 98.58 11.86 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.2 mt -92.07 155.89 42.62 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.667 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.518 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 36.1 Cg_exo -61.82 -10.68 17.97 Favored 'Trans proline' 0 CA--C 1.53 0.288 0 C-N-CA 122.959 2.439 . . . . 0.0 113.521 -176.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -120.38 -24.63 5.83 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -177.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -164.43 161.03 21.25 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.814 0.34 . . . . 0.0 111.424 -178.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.1 t -104.68 128.64 58.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.429 179.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -129.09 174.85 9.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.456 179.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.51 156.17 22.5 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.309 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.874 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 12.3 t90 -131.06 122.33 26.55 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -90.86 74.05 6.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.374 0.607 . . . . 0.0 111.969 -172.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.9 t -135.05 116.04 19.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 168.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.7 m -83.82 -32.6 25.21 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 120.892 0.377 . . . . 0.0 111.905 -170.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.475 ' HE3' ' HB2' ' A' ' 49' ' ' LYS . 30.6 ttmt -138.33 125.95 13.66 Favored Pre-proline 0 C--N 1.323 -0.567 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.605 -175.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.489 ' HD3' HG23 ' A' ' 124' ' ' ILE . 25.6 Cg_endo -62.65 92.7 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.061 2.507 . . . . 0.0 112.308 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -179.16 -49.67 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.067 -0.97 . . . . 0.0 108.926 -177.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -96.21 51.47 1.22 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.142 -175.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 57.8 mt -92.3 118.17 37.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.339 173.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -134.23 -171.6 2.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.612 -174.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.507 ' HG3' ' CE2' ' A' ' 62' ' ' PHE . 18.4 ttt180 -72.46 -23.55 61.07 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -174.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -78.59 -31.78 47.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.986 0.422 . . . . 0.0 110.522 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.4 p -83.94 -28.02 28.13 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.962 0.411 . . . . 0.0 110.724 178.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 88.3 mt -91.52 9.6 31.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.906 175.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -62.12 -32.92 73.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.934 0.397 . . . . 0.0 111.028 -175.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.405 ' HD3' ' CD1' ' A' ' 36' ' ' LEU . 40.4 mtt85 -60.57 -31.31 70.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.12 175.341 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.446 HG11 HD21 ' A' ' 71' ' ' LEU . 64.0 t -76.52 -40.7 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.794 -178.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.507 ' CE2' ' HG3' ' A' ' 55' ' ' ARG . 74.3 m-85 -62.85 -32.41 73.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.558 -178.17 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -77.01 -50.1 13.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.059 0.457 . . . . 0.0 110.447 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -86.26 20.9 2.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.294 0.569 . . . . 0.0 110.754 -175.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.32 -9.83 27.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.078 0.466 . . . . 0.0 111.433 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -75.92 -22.54 55.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.527 176.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -112.35 -28.17 8.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.424 178.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 62.9 mt -87.97 87.58 2.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.308 177.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -82.69 -58.0 3.08 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.659 176.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.6 m -104.2 123.93 48.21 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.541 176.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.466 HD23 HD11 ' A' ' 97' ' ' LEU . 56.4 tp -115.45 128.07 55.78 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.041 0.448 . . . . 0.0 110.916 -177.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 74.4 mt -115.76 124.29 72.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.853 178.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.55 ' HB ' HG22 ' A' ' 99' ' ' THR . 92.8 t -116.8 120.81 66.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.925 0.393 . . . . 0.0 110.626 178.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -95.63 109.16 3.79 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 176.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.521 HG21 ' HB3' ' A' ' 80' ' ' TRP . 25.6 p -88.21 29.97 0.91 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.024 0.44 . . . . 0.0 111.929 -174.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.18 -133.65 11.97 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.17 178.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.69 -18.42 21.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.089 0.471 . . . . 0.0 110.781 179.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.407 ' OD2' ' HD2' ' A' ' 135' ' ' HIS . 12.3 t70 -99.17 162.25 13.16 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -178.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.1 t -108.94 107.95 24.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 120.837 0.351 . . . . 0.0 111.429 -175.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.521 ' HB3' HG21 ' A' ' 75' ' ' THR . 88.2 t90 -105.02 112.88 26.17 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 174.099 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.465 ' HA ' ' HG1' ' A' ' 99' ' ' THR . 7.8 tp -87.08 134.64 27.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.716 -178.02 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.404 ' HA ' ' HD3' ' A' ' 83' ' ' PRO . . . -68.15 123.85 88.3 Favored Pre-proline 0 C--O 1.236 0.388 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.452 178.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 82' ' ' ALA . 33.1 Cg_exo -58.2 156.34 30.43 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 123.175 2.583 . . . . 0.0 112.392 -178.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.496 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 40.8 ttm180 -62.72 -45.66 91.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.973 -177.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -56.77 -41.58 77.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.917 0.389 . . . . 0.0 110.854 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.7 tp -67.31 -45.04 77.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.341 177.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.3 ttm180 -61.5 -40.18 93.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.472 -179.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 84' ' ' ARG . 33.5 mm-40 -59.34 -45.68 90.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.818 0.342 . . . . 0.0 110.482 177.235 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.27 96.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.865 178.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 66.4 mt -62.19 -46.9 86.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.305 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 37.5 ttp-105 -67.52 -21.4 65.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.052 0.454 . . . . 0.0 110.491 -177.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -70.09 -19.25 75.42 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.845 175.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.0 t -110.32 17.58 7.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 178.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.4 t30 77.69 -11.45 1.2 Allowed 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.935 176.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 48.2 t -65.21 110.76 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.99 0.424 . . . . 0.0 111.557 -175.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 37.7 t -90.65 93.48 4.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.773 176.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.466 HD11 HD23 ' A' ' 71' ' ' LEU . 31.4 tp -102.64 126.64 49.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.245 0.545 . . . . 0.0 112.044 -176.224 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -126.94 135.07 50.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.58 172.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.55 HG22 ' HB ' ' A' ' 73' ' ' VAL . 33.1 p -108.96 142.04 40.18 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.784 0.326 . . . . 0.0 110.947 -177.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -162.26 -174.38 4.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.907 178.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -66.29 151.25 47.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.462 176.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.472 ' O ' HG13 ' A' ' 106' ' ' ILE . 17.5 m -63.36 -29.8 71.05 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.474 -177.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -57.24 -67.11 2.38 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 121.173 -0.537 . . . . 0.0 112.83 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -58.35 -28.27 84.21 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.83 2.353 . . . . 0.0 112.51 175.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.78 -49.44 72.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.845 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 102' ' ' THR . 79.2 mt -58.68 -43.96 88.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.524 178.189 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 69.8 mtt85 -57.52 -53.57 56.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.339 178.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.8 m -63.49 -43.62 96.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.66 -177.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.402 ' CD1' ' HB1' ' A' ' 121' ' ' ALA . 69.8 t80 -63.49 -47.76 80.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.999 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -53.76 -48.38 69.78 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.348 0.405 . . . . 0.0 111.549 -177.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 70.3 mt -69.66 -47.86 68.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.1 0.476 . . . . 0.0 110.753 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.476 ' HE3' ' HB3' ' A' ' 118' ' ' ARG . 12.6 tpt -64.49 -42.64 95.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.676 -175.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.77 ' HA ' ' HA ' ' A' ' 117' ' ' ARG . 10.1 tp -68.24 -28.57 41.3 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-O 121.031 0.443 . . . . 0.0 110.631 -177.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -77.69 -43.02 15.85 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.455 -0.879 . . . . 0.0 111.71 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -74.42 -60.27 2.35 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -176.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.572 ' O ' ' HG2' ' A' ' 117' ' ' ARG . 47.7 mtt180 -121.49 -17.16 7.63 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.176 0.435 . . . . 0.0 112.176 -172.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.77 ' HA ' ' HA ' ' A' ' 113' ' ' ILE . 2.2 ptp180 45.55 36.54 2.58 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.717 0.807 . . . . 0.0 112.196 -179.181 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.476 ' HB3' ' HE3' ' A' ' 112' ' ' MET . 27.6 tpt180 -94.55 23.79 5.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.466 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 14.4 p -133.67 149.58 31.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.036 -171.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -124.19 142.05 51.55 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 172.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.445 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -117.08 120.1 37.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.091 0.472 . . . . 0.0 112.08 -174.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.535 ' HB3' HG22 ' A' ' 73' ' ' VAL . . . -105.3 97.19 7.07 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 172.036 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 87.9 mt -105.8 128.57 53.81 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.417 -171.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.489 HG23 ' HD3' ' A' ' 50' ' ' PRO . 35.6 mt -102.74 144.35 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.41 175.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -72.65 156.96 38.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.938 0.399 . . . . 0.0 110.893 178.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.453 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . 17.8 m -74.01 137.64 76.06 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.8 178.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 126' ' ' VAL . 31.4 Cg_exo -61.78 134.4 50.18 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.891 2.394 . . . . 0.0 112.147 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.819 HD13 ' HA3' ' A' ' 22' ' ' GLY . 5.4 mp -87.51 -53.69 4.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.168 0.509 . . . . 0.0 110.51 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -79.87 91.28 5.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.336 -175.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -78.53 87.82 4.49 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 168.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.445 ' C ' ' H ' ' A' ' 133' ' ' HIS . 6.0 t-160 -80.82 36.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.598 -169.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 73.99 -31.27 0.22 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.446 0.698 . . . . 0.0 112.019 174.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.445 ' H ' ' C ' ' A' ' 131' ' ' HIS . 7.8 t-80 -77.43 147.8 35.78 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -179.171 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -90.2 150.76 21.85 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.407 ' HD2' ' OD2' ' A' ' 78' ' ' ASP . 80.1 t60 . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.553 -0.737 . . . . 0.0 109.493 174.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.68 150.98 48.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.978 -178.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -100.46 -27.82 13.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.277 176.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -153.92 93.48 1.65 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.799 177.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 t -160.69 108.9 1.6 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.651 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -139.32 96.72 3.15 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.797 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.412 ' HA ' ' HD2' ' A' ' 8' ' ' PRO . 46.3 mm 62.86 88.98 0.11 Allowed Pre-proline 0 C--O 1.234 0.27 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.746 -177.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 7' ' ' ILE . 17.9 Cg_endo -61.15 -35.8 84.21 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.75 2.3 . . . . 0.0 112.295 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 -163.21 149.13 11.84 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 176.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -74.0 115.0 38.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 176.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -87.59 89.37 0.56 Allowed 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.87 2.38 . . . . 0.0 113.625 -173.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 12' ' ' ARG . 33.0 ttp-105 63.57 104.43 0.03 OUTLIER 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.796 170.365 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.4 m -90.0 103.3 15.98 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 171.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.9 -45.59 10.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.917 0.389 . . . . 0.0 111.402 -175.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -96.42 102.68 14.5 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.603 -179.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.416 ' HB ' ' CG2' ' A' ' 106' ' ' ILE . 45.0 mt -99.8 140.94 17.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -99.89 -167.45 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.386 -176.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.63 147.93 5.93 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -178.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -133.42 157.79 44.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.991 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.96 -83.13 0.32 Allowed Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.217 177.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.457 ' HA ' ' HD3' ' A' ' 21' ' ' LYS . 26.1 mmtp -73.44 106.36 5.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.235 0.54 . . . . 0.0 110.792 -179.114 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.59 -3.29 71.38 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.874 -177.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.424 ' HA3' ' O ' ' A' ' 32' ' ' GLN . . . 99.77 -126.56 8.96 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.896 -0.668 . . . . 0.0 111.762 -178.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -99.01 124.36 43.94 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 176.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -125.07 103.6 8.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.483 -174.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -142.57 177.22 8.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.48 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.04 97.18 3.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.311 0.577 . . . . 0.0 111.195 -176.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 154.09 -74.24 0.24 Allowed Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 58.5 mtt -140.77 141.79 34.79 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 173.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.8 m -132.65 113.13 12.65 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.68 -178.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 175.06 171.39 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.134 -176.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.424 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 32.1 mt-30 71.71 149.33 0.09 Allowed 'General case' 0 N--CA 1.467 0.421 0 O-C-N 124.096 0.872 . . . . 0.0 112.124 174.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.6 1.63 69.22 Favored Glycine 0 N--CA 1.445 -0.717 0 CA-C-N 115.454 -0.794 . . . . 0.0 112.457 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.563 ' HB2' ' O ' ' A' ' 45' ' ' TRP . 49.3 m -156.29 148.23 23.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.951 0.405 . . . . 0.0 110.483 178.116 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 82.3 mt -139.76 142.09 36.79 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.939 176.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.3 tt -105.42 105.07 14.94 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.523 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 99.2 m-85 -96.3 111.33 23.44 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.061 -177.254 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.552 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 94.3 mt -89.74 163.64 31.96 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 171.198 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.552 ' HD2' ' HB3' ' A' ' 38' ' ' LEU . 33.3 Cg_endo -65.48 11.9 0.13 Allowed 'Trans proline' 0 CA--C 1.535 0.572 0 C-N-CA 122.679 2.253 . . . . 0.0 114.286 -177.576 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.432 ' H ' ' C ' ' A' ' 38' ' ' LEU . 14.4 t70 -162.54 -40.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.882 0.372 . . . . 0.0 110.859 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.428 ' O ' ' HB2' ' A' ' 38' ' ' LEU . . . -106.81 135.65 47.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.828 0.347 . . . . 0.0 111.439 -177.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.6 t -102.22 127.29 55.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.246 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 65.3 m95 -120.03 145.3 46.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.949 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -83.75 131.89 10.71 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 176.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.563 ' O ' ' HB2' ' A' ' 34' ' ' SER . 0.8 OUTLIER -119.95 104.59 10.29 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -174.31 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -78.93 84.73 4.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.292 0.567 . . . . 0.0 110.818 -177.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.435 HG12 ' HB3' ' A' ' 52' ' ' GLN . 92.7 t -134.62 143.7 36.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.436 179.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.8 m -130.87 -5.55 4.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.338 0.589 . . . . 0.0 110.694 177.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -136.18 137.06 23.72 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.227 -178.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -62.66 -19.69 68.81 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.3 2.0 . . . . 0.0 110.948 173.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -72.22 -12.81 61.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.828 178.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.435 ' HB3' HG12 ' A' ' 47' ' ' VAL . 39.5 tt0 -91.71 19.37 6.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.002 -173.221 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 64.3 mt -102.28 103.52 15.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.239 0.543 . . . . 0.0 111.707 -176.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -121.87 178.09 5.02 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 174.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -64.51 -25.54 68.04 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 176.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -65.41 -40.65 93.65 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.0 174.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.5 m -69.33 -33.08 72.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.116 178.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 87.5 mt -94.93 27.22 3.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.661 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -54.18 -41.73 68.86 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.41 -177.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -66.92 -36.39 82.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.847 0.356 . . . . 0.0 110.851 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.498 HG12 HD22 ' A' ' 71' ' ' LEU . 61.4 t -68.93 -42.64 82.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.006 -176.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -70.74 -20.13 62.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.762 0.315 . . . . 0.0 111.389 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -84.43 -51.31 7.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.047 0.451 . . . . 0.0 110.491 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -90.22 25.8 2.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.535 -179.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.68 -37.38 68.23 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -173.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -57.96 -39.64 78.63 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.056 0.455 . . . . 0.0 110.611 -178.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.77 -11.72 55.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.714 -175.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.8 mt -103.28 108.67 24.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.963 0.411 . . . . 0.0 110.802 -178.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -92.69 -43.2 9.2 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.284 0.564 . . . . 0.0 109.808 177.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.6 m -120.27 126.73 51.31 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.75 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.498 HD22 HG12 ' A' ' 61' ' ' VAL . 61.3 tp -111.92 105.13 13.48 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.875 178.25 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 61.0 mt -95.02 119.41 43.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.08 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.3 t -111.81 117.78 56.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.506 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.549 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -93.99 107.92 3.6 Favored Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 176.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 22.2 p -89.06 30.2 0.97 Allowed 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -173.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.46 -74.66 2.49 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.422 178.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -137.75 -68.75 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.872 0.368 . . . . 0.0 110.68 -178.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -81.62 137.0 35.53 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.105 179.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.671 HG12 ' HB ' ' A' ' 99' ' ' THR . 87.4 t -74.34 122.52 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.083 0.468 . . . . 0.0 110.837 -178.213 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 77.6 t90 -98.58 128.53 44.93 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.903 178.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 64.3 mt -91.41 116.88 33.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.401 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.01 155.66 71.53 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.222 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.433 ' HD2' HD21 ' A' ' 86' ' ' LEU . 85.2 Cg_exo -49.07 141.78 21.92 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.926 2.417 . . . . 0.0 112.344 177.08 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 75.8 mtt85 -50.03 -50.23 48.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.488 -175.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -77.5 -21.4 52.83 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.519 -176.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.433 HD21 ' HD2' ' A' ' 83' ' ' PRO . 55.1 tp -75.64 -39.83 57.15 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 175.178 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -59.76 -47.84 84.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.757 174.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.41 -41.33 98.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.735 178.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.471 ' O ' HG21 ' A' ' 93' ' ' VAL . . . -56.53 -49.2 75.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.85 -53.55 56.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.388 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -65.0 -26.67 68.39 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.707 0.289 . . . . 0.0 111.544 -177.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.89 -29.32 75.03 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.815 176.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.471 HG21 ' O ' ' A' ' 89' ' ' ALA . 5.6 t -94.68 16.51 1.86 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-O 121.145 0.498 . . . . 0.0 109.823 179.147 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.456 ' HB3' ' O ' ' A' ' 93' ' ' VAL . 8.8 t30 80.12 -13.49 0.94 Allowed 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.428 177.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 43.1 t -68.6 105.55 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.136 0.493 . . . . 0.0 110.958 -178.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 66.3 t -76.74 113.2 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.625 179.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 63.6 tp -80.02 116.84 20.38 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.643 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -118.68 112.34 19.68 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.305 178.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.671 ' HB ' HG12 ' A' ' 79' ' ' VAL . 7.6 p -97.55 118.17 33.45 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.518 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.549 ' O ' ' HA2' ' A' ' 74' ' ' GLY . 49.2 tpp -141.46 163.45 32.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.339 -173.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -65.4 140.64 58.66 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 171.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.536 ' O ' HG13 ' A' ' 106' ' ' ILE . 19.9 m -55.04 -45.4 75.21 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -172.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -54.17 -68.27 1.74 Allowed Glycine 0 CA--C 1.525 0.671 0 C-N-CA 121.269 -0.491 . . . . 0.0 113.48 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.19 -36.16 84.92 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.509 2.139 . . . . 0.0 112.277 176.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.76 -39.83 90.21 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 120.768 0.318 . . . . 0.0 111.064 178.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' ' 102' ' ' THR . 76.5 mt -58.31 -45.67 89.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.281 176.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -67.71 -40.63 84.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.8 m -57.87 -46.44 84.85 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.2 0.524 . . . . 0.0 110.047 176.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -62.16 -46.73 87.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.814 177.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -53.07 -45.52 68.17 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.712 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 66.4 mt -71.02 -48.81 53.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.828 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 46.2 tpp -65.87 -36.38 83.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.95 -174.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.424 HD11 ' HA ' ' A' ' 39' ' ' PRO . 11.2 tp -67.43 -24.65 31.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.775 0.321 . . . . 0.0 111.123 -176.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -96.13 -16.79 36.84 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.104 178.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -88.48 -63.75 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.95 0.405 . . . . 0.0 111.071 -177.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.45 ' O ' ' HB2' ' A' ' 117' ' ' ARG . 15.6 ttm180 -128.27 -22.03 3.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.062 -172.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' A' ' 116' ' ' ARG . 84.0 mtt85 66.05 -142.78 0.18 Allowed 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 -171.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.422 ' H ' ' HB3' ' A' ' 117' ' ' ARG . 26.9 mmt180 63.72 21.57 12.74 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.259 0.552 . . . . 0.0 110.756 -179.087 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 9.3 p -126.73 140.15 49.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.554 -175.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -121.91 137.47 54.77 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.345 174.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.523 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -113.36 110.39 20.26 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.076 0.465 . . . . 0.0 111.337 -176.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -97.25 95.09 7.48 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 173.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 96.0 mt -104.76 120.91 42.48 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.562 -171.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 55.3 mt -109.26 142.83 20.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.455 176.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -92.53 177.8 6.01 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 176.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.406 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . 30.5 m -72.69 140.71 81.65 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 178.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 126' ' ' VAL . 23.4 Cg_exo -64.41 86.49 0.16 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.05 2.5 . . . . 0.0 112.35 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 62.1 tp -73.72 -41.93 61.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.159 -178.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -96.96 -179.4 4.54 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.226 0.536 . . . . 0.0 111.279 -176.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -137.17 106.22 5.98 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.791 -178.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -128.14 98.92 5.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.109 -176.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -80.89 70.59 7.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.327 0.584 . . . . 0.0 109.964 172.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -76.8 -45.58 28.24 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.381 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -143.08 -37.39 0.36 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.695 178.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 . . . . . 0 C--O 1.245 0.82 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -179.744 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.7 108.64 19.09 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.038 0.446 . . . . 0.0 112.109 -173.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -117.74 166.74 12.08 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 171.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -74.94 84.78 2.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.383 0.611 . . . . 0.0 109.429 173.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.7 t -145.8 145.33 30.75 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.795 -177.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -89.64 -6.23 56.38 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.198 0.523 . . . . 0.0 110.02 178.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.2 mt -128.36 94.26 36.28 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.606 176.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -92.16 29.89 0.33 Allowed 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 123.183 2.588 . . . . 0.0 112.591 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -167.63 -171.62 1.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.847 -176.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.406 ' C ' ' H ' ' A' ' 12' ' ' ARG . 81.0 m-85 -58.93 144.69 81.43 Favored Pre-proline 0 C--N 1.33 -0.279 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 174.27 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.1 33.65 0.21 Allowed 'Trans proline' 0 N--CA 1.478 0.606 0 C-N-CA 123.383 2.722 . . . . 0.0 114.115 -173.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.406 ' H ' ' C ' ' A' ' 10' ' ' PHE . 72.1 mtp180 54.23 40.3 31.57 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.4 0.619 . . . . 0.0 110.675 177.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.0 t -90.2 143.36 26.84 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.594 -178.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.38 5.17 9.66 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.573 176.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.57 107.14 19.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.973 -178.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.493 HD12 HG21 ' A' ' 106' ' ' ILE . 68.2 mt -76.89 108.0 9.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 173.244 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.539 ' HB3' ' HA ' ' A' ' 26' ' ' PHE . 16.0 t70 -63.99 -60.63 3.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.282 -172.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -145.62 159.1 43.64 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 -178.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.461 ' OH ' HG22 ' A' ' 126' ' ' VAL . 75.7 t80 -114.3 115.29 27.16 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 175.1 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.89 -170.8 16.06 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.476 -0.868 . . . . 0.0 112.471 -175.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.457 ' HE2' HD21 ' A' ' 128' ' ' LEU . 53.5 tttm -89.46 119.8 30.22 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.76 -14.39 29.43 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.688 -176.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 152.25 -171.84 31.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.792 177.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -76.23 157.42 32.64 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.784 0.326 . . . . 0.0 110.781 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -137.36 131.66 32.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.986 -178.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.539 ' HA ' ' HB3' ' A' ' 17' ' ' ASP . 42.9 p90 -142.49 177.22 8.43 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 171.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.77 103.89 0.3 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.948 0.404 . . . . 0.0 111.19 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 121.18 -99.72 0.71 Allowed Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.246 179.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 26.8 ttt -89.47 152.47 21.44 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.698 0.285 . . . . 0.0 110.485 -176.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.7 p -158.56 -171.79 3.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.133 -177.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 64.4 t60 69.29 24.81 5.79 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 122.133 0.968 . . . . 0.0 109.714 -178.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.678 HE21 HD21 ' A' ' 35' ' ' LEU . 19.6 mt-30 -93.69 106.59 18.55 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.403 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.04 -42.74 7.45 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.917 -0.659 . . . . 0.0 113.198 -174.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.488 ' OG ' ' HB3' ' A' ' 45' ' ' TRP . 22.7 t -114.33 115.8 27.95 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -178.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.678 HD21 HE21 ' A' ' 32' ' ' GLN . 86.7 mt -132.52 137.29 47.11 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.223 0.535 . . . . 0.0 111.699 -176.639 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.464 HD23 ' HD2' ' A' ' 60' ' ' ARG . 56.7 tp -106.25 100.63 10.15 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.404 -0.816 . . . . 0.0 108.87 174.039 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.481 ' HB2' ' HB2' ' A' ' 121' ' ' ALA . 90.0 m-85 -83.11 102.68 11.99 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.534 -178.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 80.1 mt -89.3 152.05 47.22 Favored Pre-proline 0 C--N 1.319 -0.723 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 174.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 38' ' ' LEU . 15.0 Cg_exo -69.98 39.17 0.28 Allowed 'Trans proline' 0 CA--C 1.534 0.493 0 C-N-CA 123.368 2.712 . . . . 0.0 113.482 -175.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -170.2 -35.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.93 0.395 . . . . 0.0 110.726 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -146.57 146.74 30.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -178.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 37.7 t -97.58 126.71 50.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.066 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 99.7 m95 -119.59 152.57 36.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.832 0.349 . . . . 0.0 110.961 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -84.38 127.1 7.94 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.499 175.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.488 ' HB3' ' OG ' ' A' ' 34' ' ' SER . 2.3 t90 -93.64 152.04 19.26 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 -177.077 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -97.89 16.96 19.3 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.624 0.726 . . . . 0.0 111.152 -172.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.507 HG11 ' HB2' ' A' ' 52' ' ' GLN . 90.0 t -114.55 95.6 3.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.302 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.0 m -89.31 -30.39 18.47 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.019 0.438 . . . . 0.0 111.018 -176.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 54.6 mtmt -113.53 133.79 22.11 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 176.037 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 49' ' ' LYS . 31.6 Cg_exo -59.39 174.6 1.01 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.144 2.563 . . . . 0.0 113.155 -178.088 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 75.95 -7.82 1.73 Allowed 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.004 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.507 ' HB2' HG11 ' A' ' 47' ' ' VAL . 46.9 mt-30 -93.92 23.24 5.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.193 0.52 . . . . 0.0 110.101 175.098 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 59.2 mt -86.78 102.11 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.733 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -132.3 172.73 12.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.322 -175.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.9 mtp85 -53.94 -37.26 63.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.146 176.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -63.49 -44.54 94.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.693 176.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -68.24 -34.1 75.59 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.168 -177.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.4 mt -99.75 15.04 28.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.332 -176.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -60.47 -35.31 75.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.824 0.345 . . . . 0.0 110.888 -176.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.464 ' HD2' HD23 ' A' ' 36' ' ' LEU . 39.6 ttm-85 -66.66 -30.32 70.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.391 178.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.475 HG13 HD21 ' A' ' 71' ' ' LEU . 77.2 t -66.73 -39.23 83.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.017 178.151 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -64.82 -34.73 79.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.83 176.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -75.37 -44.13 46.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.429 -178.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -92.07 23.52 3.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.68 0.276 . . . . 0.0 111.17 -178.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.05 -23.82 64.05 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -176.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -76.53 -0.99 25.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.71 0.291 . . . . 0.0 111.258 -178.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -126.08 5.14 7.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.913 0.387 . . . . 0.0 110.573 177.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.6 mt -119.43 111.81 34.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.084 -176.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.435 ' HB2' ' HE ' ' A' ' 118' ' ' ARG . 23.2 t70 -95.17 -52.26 4.27 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.266 174.138 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.0 m -112.68 133.04 54.91 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.235 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.475 HD21 HG13 ' A' ' 61' ' ' VAL . 64.3 tp -113.75 100.59 8.58 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 177.334 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 65.7 mt -91.64 117.72 35.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.147 -0.478 . . . . 0.0 109.967 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 40.0 t -107.99 115.37 48.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.322 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.565 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -93.06 101.09 2.73 Favored Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 178.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.565 HG22 ' HB3' ' A' ' 80' ' ' TRP . 33.6 p -94.54 40.25 1.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -172.222 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.43 -138.14 15.56 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.522 176.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -101.87 10.24 39.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.982 0.42 . . . . 0.0 110.789 -177.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -131.27 149.27 52.64 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.973 -177.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.8 t -84.95 108.61 17.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.905 0.384 . . . . 0.0 110.517 -179.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.565 ' HB3' HG22 ' A' ' 75' ' ' THR . 80.4 t90 -91.85 120.7 32.79 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 65.6 mt -87.45 117.43 31.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.369 -177.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.63 131.13 80.27 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.503 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -54.09 143.9 60.47 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 123.013 2.475 . . . . 0.0 112.001 178.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.612 ' HG2' HH21 ' A' ' 87' ' ' ARG . 68.3 mtm-85 -62.45 -30.54 71.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.439 -175.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -62.09 -50.43 71.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.022 0.439 . . . . 0.0 110.496 175.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.2 tp -66.49 -42.61 87.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.7 -179.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.612 HH21 ' HG2' ' A' ' 84' ' ' ARG . 63.1 ttp85 -64.66 -45.16 87.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.226 -178.131 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -65.6 -35.3 80.42 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.38 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.568 ' O ' HG23 ' A' ' 93' ' ' VAL . . . -59.92 -52.44 65.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.507 177.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.621 HD12 HD21 ' A' ' 97' ' ' LEU . 97.2 mt -61.44 -39.29 90.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.49 177.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -59.69 -38.9 82.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.411 178.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -69.56 -23.54 76.57 Favored Glycine 0 N--CA 1.452 -0.262 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.402 178.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 89' ' ' ALA . 17.3 t -86.4 7.79 2.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-O 121.464 0.65 . . . . 0.0 109.535 177.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 74.93 13.1 3.41 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.819 178.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 57.8 t -96.72 113.22 30.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.098 178.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.4 t -77.04 103.23 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.927 0.394 . . . . 0.0 110.284 178.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.621 HD21 HD12 ' A' ' 90' ' ' LEU . 68.1 tp -77.89 124.59 28.19 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.836 -178.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -136.8 116.57 13.07 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.843 178.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 80' ' ' TRP . 6.1 m -101.71 138.08 39.17 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.429 -178.2 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.565 ' O ' ' HA2' ' A' ' 74' ' ' GLY . 48.3 ttm -154.57 158.75 40.24 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -176.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -65.53 144.55 56.93 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 174.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.477 ' O ' HG13 ' A' ' 106' ' ' ILE . 22.7 m -53.27 -40.92 65.03 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -172.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.58 -67.29 2.29 Favored Glycine 0 CA--C 1.522 0.503 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.631 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.415 ' HB2' ' SD ' ' A' ' 100' ' ' MET . 35.5 Cg_exo -58.64 -25.93 77.14 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.751 2.301 . . . . 0.0 112.592 176.214 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.98 -40.68 91.41 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.679 0.275 . . . . 0.0 110.857 177.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.493 HG21 HD12 ' A' ' 16' ' ' ILE . 86.2 mt -61.87 -42.42 94.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.266 0.555 . . . . 0.0 109.603 174.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.42 ' O ' HG13 ' A' ' 111' ' ' ILE . 28.5 tpt180 -57.96 -55.35 36.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.049 177.54 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.2 p -66.59 -42.11 87.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.753 -176.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.406 ' O ' HG12 ' A' ' 113' ' ' ILE . 61.8 t80 -59.57 -43.56 93.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.751 0.31 . . . . 0.0 110.684 178.18 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -61.39 -37.59 83.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.597 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 107' ' ' ARG . 75.7 mt -72.2 -40.22 65.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.052 0.453 . . . . 0.0 110.729 178.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 51.5 mtt -70.82 -4.2 22.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.238 -177.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.406 HG12 ' O ' ' A' ' 109' ' ' TYR . 44.4 mm -67.68 -56.05 14.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 175.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -77.15 -12.38 84.67 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.806 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -94.12 -56.57 2.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.834 0.349 . . . . 0.0 111.431 178.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 3.4 tpp85 -101.95 -63.76 1.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.871 -170.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 62.1 18.48 10.06 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.786 0.803 . . . . 0.0 110.028 -172.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.435 ' HE ' ' HB2' ' A' ' 69' ' ' ASP . 36.3 ttt85 -133.47 37.02 3.35 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 176.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 4.8 p -119.73 130.16 74.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 114.505 -1.225 . . . . 0.0 110.317 -177.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -103.54 126.8 50.91 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 177.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.481 ' HB2' ' HB2' ' A' ' 37' ' ' PHE . . . -113.32 109.65 19.06 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.135 0.493 . . . . 0.0 111.391 -176.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -89.06 95.5 10.34 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 173.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 81.7 mt -105.83 117.98 35.41 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.212 -172.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 64.8 mt -104.76 123.91 59.05 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.505 175.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.0 140.84 51.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.207 176.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.461 HG22 ' OH ' ' A' ' 19' ' ' TYR . 34.4 m -64.14 122.82 79.82 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-O 120.911 0.386 . . . . 0.0 111.235 -176.209 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -61.79 108.11 0.6 Allowed 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.574 2.183 . . . . 0.0 111.185 177.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.457 HD21 ' HE2' ' A' ' 21' ' ' LYS . 29.9 tp -58.28 -67.24 0.37 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.069 -179.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.406 ' HB3' ' H ' ' A' ' 130' ' ' HIS . 1.1 tm-20 64.92 -85.78 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.37 0 O-C-N 123.861 0.726 . . . . 0.0 110.654 174.574 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.406 ' H ' ' HB3' ' A' ' 129' ' ' GLU . 46.0 m80 -136.88 99.91 4.16 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 176.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -104.56 -47.41 4.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.204 -177.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -75.61 6.15 5.16 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -176.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -164.07 131.76 3.42 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 173.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -120.79 -55.6 1.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.9 0.381 . . . . 0.0 110.323 178.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 46.6 m80 . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.599 -0.715 . . . . 0.0 110.069 -179.904 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.63 141.76 32.26 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.922 0.392 . . . . 0.0 110.887 177.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -79.94 149.09 30.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.287 177.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.404 ' HA ' ' HD3' ' A' ' 4' ' ' ARG . 5.6 mmt180 59.37 82.24 0.15 Allowed 'General case' 0 C--O 1.234 0.285 0 O-C-N 123.789 0.68 . . . . 0.0 111.357 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m -76.48 118.04 18.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.535 178.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -60.36 -56.67 18.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.453 -175.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.1 mt -113.16 105.43 55.49 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.734 -177.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -74.41 99.73 1.24 Allowed 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.836 2.357 . . . . 0.0 111.719 177.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -157.64 -173.61 4.47 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.415 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -67.5 145.22 98.26 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 171.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -72.71 16.82 0.39 Allowed 'Trans proline' 0 N--CA 1.473 0.316 0 C-N-CA 122.907 2.405 . . . . 0.0 113.862 -172.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.1 ttt85 57.25 80.38 0.16 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.743 0.783 . . . . 0.0 109.96 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.7 m -90.18 112.42 23.91 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.251 -171.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.434 ' HB1' HG23 ' A' ' 113' ' ' ILE . . . -94.39 -4.98 47.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.217 -179.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -151.45 126.99 10.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.965 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.514 ' H ' HD11 ' A' ' 16' ' ' ILE . 3.8 mp -64.06 132.51 29.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 176.145 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -81.15 -41.0 23.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.608 0.242 . . . . 0.0 110.859 -174.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -165.02 174.17 10.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.72 177.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -137.0 123.42 20.78 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 176.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.58 135.45 7.86 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.272 -0.966 . . . . 0.0 112.864 -175.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm 64.9 -90.87 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 123.277 0.631 . . . . 0.0 110.404 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.05 37.77 0.93 Allowed Glycine 0 N--CA 1.445 -0.761 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.558 ' HA3' ' HG2' ' A' ' 32' ' ' GLN . . . -151.97 158.6 27.88 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.957 -0.64 . . . . 0.0 111.874 -179.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -91.5 144.32 25.68 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.996 0.427 . . . . 0.0 110.186 -177.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -121.4 131.91 54.45 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.009 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -134.15 177.18 7.94 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.53 178.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.22 98.76 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.436 0.46 . . . . 0.0 110.936 178.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 137.61 -75.64 0.38 Allowed Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.272 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 24.1 ttt -147.84 158.48 44.05 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 -176.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.1 t -97.89 151.9 19.77 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 177.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -143.83 128.0 17.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.93 0.395 . . . . 0.0 110.819 176.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.558 ' HG2' ' HA3' ' A' ' 23' ' ' GLY . 52.8 mt-30 -91.27 162.99 14.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.765 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.39 -99.62 1.88 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.376 178.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.574 ' HG ' HG12 ' A' ' 124' ' ' ILE . 29.5 t -152.91 143.47 22.68 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -178.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 90.7 mt -126.84 137.85 53.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.793 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.657 ' HG ' ' HB2' ' A' ' 45' ' ' TRP . 91.6 mt -101.53 107.45 18.74 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.321 179.452 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.674 ' HB3' ' HH ' ' A' ' 109' ' ' TYR . 87.2 m-85 -89.0 99.58 12.54 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.633 177.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.2 mt -98.22 162.11 23.13 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.212 -178.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.84 -15.2 36.66 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.87 2.38 . . . . 0.0 113.074 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -95.7 -58.24 2.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.985 0.421 . . . . 0.0 110.525 178.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -157.72 -179.59 8.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.668 -177.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.6 t -100.65 130.16 50.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.346 -179.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -123.36 178.03 5.34 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.279 178.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -103.38 144.25 15.93 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.615 -0.802 . . . . 0.0 111.896 179.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.657 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 4.0 t90 -111.83 132.91 54.38 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -81.21 4.42 20.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.912 0.863 . . . . 0.0 111.391 -173.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.475 HG22 ' HB3' ' A' ' 57' ' ' SER . 58.2 t -93.99 88.8 2.43 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.231 176.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.4 p -82.78 -7.69 59.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.987 -173.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 98.1 mttt -135.9 139.43 30.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.462 -178.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.489 ' O ' ' HB3' ' A' ' 51' ' ' GLU . 21.1 Cg_exo -65.45 177.82 2.47 Favored 'Trans proline' 0 C--O 1.237 0.457 0 C-N-CA 122.847 2.365 . . . . 0.0 111.943 177.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.559 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 31.3 tt0 75.18 -44.15 0.53 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.199 0.599 . . . . 0.0 111.819 179.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -78.82 33.89 0.22 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.072 0.463 . . . . 0.0 111.56 -176.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 62.5 mt -103.06 118.86 50.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.181 -178.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.426 ' CG ' ' H ' ' A' ' 55' ' ' ARG . 10.3 t70 -137.56 -170.94 2.86 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 178.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.426 ' H ' ' CG ' ' A' ' 54' ' ' ASP . 2.3 mtm180 -56.28 -40.73 74.73 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.154 0.502 . . . . 0.0 110.826 178.164 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -63.47 -37.18 86.3 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.869 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.475 ' HB3' HG22 ' A' ' 47' ' ' VAL . 2.5 m -71.41 -34.65 70.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.385 0.612 . . . . 0.0 110.02 178.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.1 mt -94.58 15.47 17.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.073 -178.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -58.07 -40.34 80.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.049 0.452 . . . . 0.0 110.537 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -66.5 -27.58 67.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.187 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.8 t -79.8 -43.26 22.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.526 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -57.95 -34.9 70.41 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.591 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -63.83 -42.15 97.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.794 0.331 . . . . 0.0 111.115 179.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -103.27 22.91 13.28 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.444 0.64 . . . . 0.0 110.209 -177.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.86 -17.17 64.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.13 -175.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -85.93 -1.5 57.36 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.754 0.311 . . . . 0.0 111.015 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -119.14 -5.36 10.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.069 0.461 . . . . 0.0 110.592 177.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.8 mt -109.73 107.55 23.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.481 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -79.63 -67.94 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.48 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.453 ' O ' ' HA ' ' A' ' 119' ' ' VAL . 30.1 m -104.52 139.77 38.93 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.954 178.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.8 tp -125.59 105.37 8.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.762 0.315 . . . . 0.0 110.226 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 73.0 mt -92.26 117.28 35.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.162 0.506 . . . . 0.0 110.148 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.8 t -106.41 121.11 58.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.355 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.529 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -96.96 108.65 3.7 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 177.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.516 HG22 ' HB3' ' A' ' 80' ' ' TRP . 34.0 p -86.37 14.35 6.78 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.119 0.485 . . . . 0.0 111.909 -175.442 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.37 -110.29 3.33 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.843 176.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.95 -63.24 1.29 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.796 0.332 . . . . 0.0 111.337 -175.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -87.44 162.31 17.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.064 -178.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.699 ' HB ' HE22 ' A' ' 101' ' ' GLN . 7.3 p -99.23 121.58 50.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.365 0.602 . . . . 0.0 111.409 -177.207 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.559 ' CD1' ' HA ' ' A' ' 51' ' ' GLU . 58.1 t90 -94.77 122.78 37.73 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.28 174.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 66.9 mt -87.59 106.56 16.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.948 0.404 . . . . 0.0 110.015 -177.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.14 126.02 72.3 Favored Pre-proline 0 C--O 1.235 0.332 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.668 177.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -57.27 147.04 79.18 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 123.1 2.533 . . . . 0.0 112.482 -177.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 17.3 mtm180 -55.51 -44.0 76.19 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.084 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -57.1 -51.43 69.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.013 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.1 tp -65.49 -40.27 92.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.609 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -65.69 -40.6 92.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.557 -178.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -65.05 -43.18 93.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.635 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.45 -36.04 77.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.065 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.416 ' HB3' ' HB ' ' A' ' 95' ' ' VAL . 91.4 mt -68.84 -48.64 62.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.986 178.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 62.0 mtp180 -71.02 -18.23 62.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.958 -178.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.25 -26.22 70.35 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 174.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.482 ' O ' ' HB2' ' A' ' 94' ' ' ASN . 40.1 t -94.32 -56.45 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 176.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.482 ' HB2' ' O ' ' A' ' 93' ' ' VAL . 0.2 OUTLIER 170.96 -29.39 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.154 -177.495 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.416 ' HB ' ' HB3' ' A' ' 90' ' ' LEU . 57.4 t -63.79 111.79 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -170.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.0 t -93.96 96.6 6.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 173.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.2 tt -80.28 130.56 35.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.428 -178.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -127.05 127.48 44.79 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.467 177.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 80' ' ' TRP . 6.5 m -97.23 124.42 41.31 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.94 -175.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.562 ' HE1' ' HB2' ' A' ' 104' ' ' PRO . 87.9 mmm -138.85 167.73 21.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.282 -177.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.699 HE22 ' HB ' ' A' ' 79' ' ' VAL . 16.4 mp0 -84.98 157.75 20.7 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 173.021 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.412 ' O ' HG13 ' A' ' 106' ' ' ILE . 11.8 m -50.74 -45.24 58.66 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -175.205 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -59.93 -67.63 2.06 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 121.172 -0.537 . . . . 0.0 113.057 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.562 ' HB2' ' HE1' ' A' ' 100' ' ' MET . 49.5 Cg_exo -57.42 -27.31 75.38 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.781 2.321 . . . . 0.0 112.997 179.35 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.68 -50.42 64.97 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.742 -0.208 . . . . 0.0 110.741 177.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 102' ' ' THR . 78.2 mt -61.82 -37.01 77.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 120.968 0.413 . . . . 0.0 110.367 178.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -59.94 -58.44 8.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.483 178.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.1 m -60.76 -37.44 81.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.755 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.674 ' HH ' ' HB3' ' A' ' 37' ' ' PHE . 84.7 t80 -55.42 -55.72 28.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.586 178.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -55.9 -38.67 70.53 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.762 -178.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 72.1 mt -65.05 -51.29 68.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.297 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 89.8 mtp -72.6 -31.9 65.55 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.592 -175.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.641 ' HA ' ' HG2' ' A' ' 117' ' ' ARG . 45.1 mm -72.0 -23.77 22.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.042 0.449 . . . . 0.0 110.456 178.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -68.28 -9.1 56.96 Favored Glycine 0 CA--C 1.52 0.371 0 CA-C-N 115.863 -0.608 . . . . 0.0 113.218 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -121.62 -90.62 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 177.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -103.03 -26.66 12.99 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -167.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.641 ' HG2' ' HA ' ' A' ' 113' ' ' ILE . 31.6 mtm-85 62.01 76.5 0.36 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.091 0.472 . . . . 0.0 111.375 -176.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 23.9 mtp180 -111.83 24.37 12.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.371 0.605 . . . . 0.0 109.807 176.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 70' ' ' THR . 7.1 p -136.55 135.05 49.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.083 -174.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -104.09 142.77 33.89 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 172.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.511 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -116.21 124.31 49.95 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.947 0.404 . . . . 0.0 111.578 -175.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -108.66 96.95 6.69 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 174.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.5 mt -101.98 114.37 28.42 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.347 -174.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.574 HG12 ' HG ' ' A' ' 34' ' ' SER . 49.4 mt -100.03 146.3 9.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.68 177.105 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -73.17 165.26 25.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.974 0.416 . . . . 0.0 111.169 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 35.0 m -85.94 144.58 39.39 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.2 -178.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.61 108.71 1.09 Allowed 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.821 2.347 . . . . 0.0 111.831 178.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 92.6 mt -85.99 127.6 34.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.424 -175.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -120.93 174.5 6.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.324 172.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -139.12 107.32 5.76 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.198 0.523 . . . . 0.0 110.527 176.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -166.05 80.27 0.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.878 177.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -130.67 56.46 1.77 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.15 178.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.443 ' HB3' ' H ' ' A' ' 134' ' ' HIS . 31.6 m-70 -148.86 -149.96 0.32 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.859 0.361 . . . . 0.0 111.811 -176.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.443 ' H ' ' HB3' ' A' ' 133' ' ' HIS . 20.1 t-160 77.5 -85.26 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.575 1.15 . . . . 0.0 111.798 178.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 . . . . . 0 C--O 1.242 0.707 0 CA-C-O 118.629 -0.701 . . . . 0.0 110.277 -174.136 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.4 mtt . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.38 -82.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -176.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -96.53 5.18 51.32 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -170.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -103.07 -5.56 23.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.074 0.464 . . . . 0.0 110.62 174.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.7 m -101.02 87.28 3.23 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.589 0.709 . . . . 0.0 109.635 176.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -161.72 -53.24 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.926 -1.034 . . . . 0.0 108.934 -176.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.6 mt 67.65 90.35 0.09 OUTLIER Pre-proline 0 CA--C 1.532 0.259 0 CA-C-N 114.871 -1.059 . . . . 0.0 111.409 176.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -88.33 39.78 0.53 Allowed 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 123.035 2.49 . . . . 0.0 110.976 174.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -105.06 101.12 10.69 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.162 -173.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -99.45 140.23 21.48 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.377 -175.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -91.07 135.79 1.91 Allowed 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 123.243 2.629 . . . . 0.0 111.948 175.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 46.61 85.58 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.375 0.607 . . . . 0.0 111.555 -176.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.486 ' HB ' HG21 ' A' ' 42' ' ' VAL . 27.1 m -122.92 106.51 10.93 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.695 -179.442 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -113.31 19.38 17.06 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.101 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.49 117.75 31.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.839 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.429 HD11 HG22 ' A' ' 106' ' ' ILE . 62.1 mt -120.24 130.7 74.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.993 178.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -148.09 154.99 40.93 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 -177.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 58.42 91.61 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.952 0.782 . . . . 0.0 112.564 177.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -115.01 128.26 56.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.59 178.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 126.62 -77.82 0.39 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.548 176.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -68.92 99.31 1.04 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.826 0.345 . . . . 0.0 110.36 -178.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.4 18.44 60.48 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.077 -178.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.9 -103.33 2.45 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.133 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -121.52 116.43 24.66 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 178.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -106.48 93.65 4.71 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.242 0.544 . . . . 0.0 110.384 179.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -128.43 115.14 17.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.814 -178.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 63.86 -77.95 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.217 -0.901 . . . . 0.0 112.808 175.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.54 -72.52 0.98 Allowed Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.25 -0.5 . . . . 0.0 113.367 -173.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 23.8 ptp -147.77 172.14 14.58 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 122.742 -0.27 . . . . 0.0 110.924 -175.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.7 m -81.6 108.79 15.46 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 174.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -92.72 103.79 16.13 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.681 -0.407 . . . . 0.0 111.374 -176.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.93 113.94 16.32 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 172.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.569 ' HA2' HG23 ' A' ' 48' ' ' THR . . . 142.26 -176.03 22.43 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.827 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.564 ' HB3' ' O ' ' A' ' 45' ' ' TRP . 27.8 t -92.03 140.68 29.41 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.166 0.507 . . . . 0.0 110.575 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 97.9 mt -115.55 127.36 55.21 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.012 178.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.682 ' HB2' ' HB2' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -101.54 96.15 6.93 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.117 0.484 . . . . 0.0 109.698 -178.879 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -78.38 93.87 4.78 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.466 177.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.3 mt -76.6 158.53 80.92 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.821 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -69.58 44.18 0.39 Allowed 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 123.286 2.657 . . . . 0.0 113.351 -178.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -168.67 -55.88 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -138.83 164.36 29.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.975 -178.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.486 HG21 ' HB ' ' A' ' 13' ' ' THR . 41.4 t -91.06 118.28 35.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.472 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 37.6 m95 -115.83 176.19 5.2 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.003 0.43 . . . . 0.0 110.692 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -105.76 145.98 16.01 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.9 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.682 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 11.5 t90 -134.23 112.61 11.21 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -83.28 75.25 9.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.279 0.562 . . . . 0.0 111.058 -174.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 85.7 t -138.94 90.44 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 170.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.569 HG23 ' HA2' ' A' ' 33' ' ' GLY . 1.9 p -84.87 -20.4 30.87 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.572 -175.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -121.47 115.55 31.11 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 120.844 0.354 . . . . 0.0 110.161 178.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -58.01 -24.09 63.73 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.763 2.975 . . . . 0.0 114.238 -172.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -67.41 -17.09 64.58 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.775 0.322 . . . . 0.0 111.496 -178.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 41.1 tp60 -97.21 15.16 23.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.09 0.471 . . . . 0.0 111.01 -176.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.429 HG21 HD21 ' A' ' 86' ' ' LEU . 70.3 mt -69.51 122.47 21.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 174.56 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -149.63 168.69 22.87 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 -176.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' A' ' 55' ' ' ARG . 50.1 mtm180 -57.94 -33.75 69.15 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.761 0.315 . . . . 0.0 110.748 178.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -62.63 -45.07 94.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.689 176.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.4 m -72.01 -30.13 64.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.101 0.477 . . . . 0.0 110.54 179.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.9 mt -86.9 5.01 39.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.411 -178.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -58.07 -34.18 69.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.198 0.523 . . . . 0.0 110.376 179.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -69.36 -20.41 63.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.225 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.1 t -90.88 -45.16 14.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.323 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -55.82 -36.79 67.85 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.203 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -63.08 -26.02 68.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.471 -177.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -119.23 29.37 7.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.896 -176.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.51 -31.23 69.19 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 112.242 -176.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -63.24 -34.42 77.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.186 0.517 . . . . 0.0 111.101 178.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.59 -23.79 23.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.979 -178.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.9 mt -102.07 99.11 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.286 -176.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.475 ' HB2' ' CZ ' ' A' ' 118' ' ' ARG . 6.5 t70 -87.5 -54.58 4.2 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.117 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.6 m -106.47 119.72 40.02 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.606 -178.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.9 tp -112.31 106.81 15.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.319 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 59.6 mt -94.83 125.12 47.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.775 178.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 79.0 t -112.82 130.35 66.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.486 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -111.62 100.62 1.21 Allowed Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.484 -0.646 . . . . 0.0 111.484 177.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.8 p -71.48 -42.47 68.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.029 0.442 . . . . 0.0 111.792 -176.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.22 -59.59 1.38 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.695 -0.764 . . . . 0.0 113.015 175.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.18 -67.64 0.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.911 0.386 . . . . 0.0 110.844 -178.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -150.61 172.49 15.44 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 175.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 44.7 t -73.76 93.41 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.137 0.494 . . . . 0.0 110.345 -179.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 81.2 t90 -88.17 112.43 22.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.734 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 47.7 mt -93.03 116.21 33.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.444 -177.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.29 148.73 95.58 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.238 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.95 152.39 29.6 Favored 'Trans proline' 0 C--O 1.239 0.543 0 C-N-CA 123.009 2.473 . . . . 0.0 112.58 177.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -61.47 -41.6 97.49 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.429 -175.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -51.99 -45.84 64.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.038 0.447 . . . . 0.0 110.807 -178.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.429 HD21 HG21 ' A' ' 53' ' ' ILE . 52.8 tp -73.15 -47.03 47.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.988 -178.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.482 ' HG3' HD23 ' A' ' 97' ' ' LEU . 62.2 ttt180 -66.94 -39.48 87.33 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.059 0.457 . . . . 0.0 111.106 -176.284 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -71.85 -30.97 66.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.536 -178.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.98 -41.61 99.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.948 0.404 . . . . 0.0 110.216 176.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.47 -48.17 78.78 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.931 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 59.5 ttp85 -74.64 -20.94 59.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.698 -177.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -68.35 -23.04 75.0 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.142 -0.552 . . . . 0.0 111.737 175.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 46.4 t -86.33 -80.0 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 173.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -175.45 21.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.354 176.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 47.4 t -110.44 116.29 51.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.869 0.366 . . . . 0.0 110.932 -174.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 65.7 t -87.11 110.39 20.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.198 177.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.482 HD23 ' HG3' ' A' ' 87' ' ' ARG . 48.4 tp -85.71 107.21 17.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.606 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -108.72 101.48 10.6 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.4 m -102.51 119.24 38.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.575 -173.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 70.7 mtm -138.89 -172.37 3.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.747 178.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -81.56 160.58 23.82 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 173.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.433 ' O ' HG13 ' A' ' 106' ' ' ILE . 3.1 m -57.58 -39.46 76.83 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 -175.148 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -53.26 -69.05 1.33 Allowed Glycine 0 CA--C 1.522 0.514 0 C-N-CA 121.228 -0.51 . . . . 0.0 113.031 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -57.71 -32.57 95.0 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.856 2.371 . . . . 0.0 112.646 177.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.64 -48.8 77.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.65 0.262 . . . . 0.0 110.846 178.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 102' ' ' THR . 81.4 mt -57.94 -48.7 83.39 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.135 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.239 177.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 42.9 ttt-85 -56.61 -51.2 69.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.027 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.5 m -61.96 -46.18 90.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.169 -178.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -66.95 -45.72 76.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.926 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -57.98 -31.54 67.01 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.049 -176.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 79.5 mt -84.12 -53.09 11.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 177.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.523 ' HA ' ' OE1' ' A' ' 115' ' ' GLU . 38.5 ttp -72.21 -15.99 61.95 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -170.637 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 11.1 tp -74.61 -17.75 16.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.254 0.55 . . . . 0.0 109.641 174.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -72.24 -18.84 78.32 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.736 177.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.523 ' OE1' ' HA ' ' A' ' 112' ' ' MET . 0.4 OUTLIER -63.73 -69.71 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 175.676 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.508 ' HG3' ' H ' ' A' ' 117' ' ' ARG . 7.3 ptp180 -163.96 -74.35 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 176.612 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.508 ' H ' ' HG3' ' A' ' 116' ' ' ARG . 15.0 ptm180 178.86 -166.04 0.06 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 117.737 0.244 . . . . 0.0 111.157 -175.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.546 ' HG3' ' O ' ' A' ' 118' ' ' ARG . 0.0 OUTLIER 75.28 15.94 2.78 Favored 'General case' 0 C--O 1.245 0.822 0 CA-C-O 123.161 1.458 . . . . 0.0 110.873 -179.737 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.468 HG21 ' HE2' ' A' ' 112' ' ' MET . 5.4 p -117.38 132.61 66.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-N 113.419 -1.719 . . . . 0.0 108.757 171.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -118.17 147.53 43.26 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.241 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -127.62 114.71 17.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.946 0.403 . . . . 0.0 110.99 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -97.04 95.17 7.61 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 174.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 79.4 mt -98.33 107.84 20.4 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.553 -176.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.555 HG12 ' HG ' ' A' ' 34' ' ' SER . 60.8 mt -90.02 117.76 33.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.238 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -80.77 128.02 33.18 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 172.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 15.4 m -64.32 122.74 79.75 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-O 120.939 0.4 . . . . 0.0 110.715 -178.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -64.86 95.88 0.25 Allowed 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.597 2.198 . . . . 0.0 112.265 -177.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 7.2 tt -78.4 89.73 4.4 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 175.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -117.26 -30.45 5.6 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.153 -173.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -126.57 -173.51 2.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.918 0.39 . . . . 0.0 110.325 -178.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -121.35 171.07 9.02 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 176.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -96.72 -38.55 9.86 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.834 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 67.9 t60 70.5 -61.26 0.47 Allowed 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.243 0.617 . . . . 0.0 111.118 178.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 24.4 p80 -145.0 -30.48 0.44 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.821 0.343 . . . . 0.0 110.34 174.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 . . . . . 0 C--O 1.243 0.754 0 CA-C-O 118.507 -0.759 . . . . 0.0 109.839 178.012 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ttt . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 120.783 0.325 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.08 142.08 28.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.903 -177.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -91.09 94.51 9.64 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.015 0.436 . . . . 0.0 110.298 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -106.82 101.82 11.23 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 177.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.4 t -102.92 17.25 24.44 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.267 -174.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -112.75 51.12 0.84 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.192 0.52 . . . . 0.0 110.907 -176.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.5 pt -128.67 79.32 74.57 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-O 121.203 0.525 . . . . 0.0 111.056 176.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -77.52 -71.23 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.667 2.245 . . . . 0.0 111.273 176.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -147.14 128.86 15.2 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.657 ' HZ ' ' HA3' ' A' ' 28' ' ' GLY . 84.4 m-85 -63.43 111.92 6.06 Favored Pre-proline 0 N--CA 1.465 0.3 0 O-C-N 123.601 0.563 . . . . 0.0 112.137 -173.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -97.38 105.79 0.08 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 123.651 2.901 . . . . 0.0 112.069 176.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 47.0 ttp180 62.6 92.23 0.06 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.406 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.7 m -102.27 144.64 30.52 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 177.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.8 -64.95 1.14 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.776 0.322 . . . . 0.0 111.195 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.9 155.01 16.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.995 0.426 . . . . 0.0 111.187 -176.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.4 mt -119.73 138.16 51.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.763 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.529 ' HB2' ' HA ' ' A' ' 26' ' ' PHE . 55.2 m-20 -64.99 -55.71 17.46 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 123.195 0.309 . . . . 0.0 111.49 -177.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.45 151.01 33.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.716 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -149.18 165.62 31.3 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.95 -102.76 1.42 Allowed Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.896 177.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.11 130.72 42.87 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 176.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.423 ' O ' ' HA ' ' A' ' 31' ' ' HIS . . . 79.53 -4.8 62.77 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.932 -0.652 . . . . 0.0 112.088 -174.355 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.43 -142.6 18.11 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 121.103 -0.57 . . . . 0.0 112.017 -178.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.454 ' HB2' ' HB2' ' A' ' 32' ' ' GLN . 94.0 m-85 -84.35 107.36 16.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.932 0.396 . . . . 0.0 110.289 176.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -113.67 93.65 4.48 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.994 -177.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.529 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 43.0 p90 -134.24 171.37 14.35 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.385 -178.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.4 102.79 0.57 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.059 0.457 . . . . 0.0 110.926 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.657 ' HA3' ' HZ ' ' A' ' 10' ' ' PHE . . . 151.28 -64.55 0.38 Allowed Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.933 -179.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 64.8 mtt -141.55 150.97 42.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.648 0.261 . . . . 0.0 110.434 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.4 p -117.01 158.74 23.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -177.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.423 ' HA ' ' O ' ' A' ' 22' ' ' GLY . 34.3 t60 58.91 78.59 0.25 Allowed 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.658 0.599 . . . . 0.0 111.182 176.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.454 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 43.0 mt-30 -135.26 136.34 41.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.04 -179.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.36 -42.22 1.65 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.858 -175.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.413 ' HG ' ' HA ' ' A' ' 48' ' ' THR . 10.7 m -132.58 118.17 18.87 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.671 0.272 . . . . 0.0 110.817 -176.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 92.8 mt -126.67 136.04 51.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.985 0.421 . . . . 0.0 111.001 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.488 ' HG ' ' HB2' ' A' ' 45' ' ' TRP . 97.9 mt -101.87 101.66 12.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.789 177.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.461 ' HB2' ' HB1' ' A' ' 121' ' ' ALA . 90.1 m-85 -85.48 104.65 15.46 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.194 -179.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.0 mt -102.63 156.85 34.76 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.7 177.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -53.4 -26.94 37.49 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.113 2.542 . . . . 0.0 113.392 -177.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -95.46 -56.81 2.58 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.674 0.273 . . . . 0.0 111.487 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -147.02 169.61 18.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.803 0.335 . . . . 0.0 111.278 -175.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.7 t -103.56 132.3 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.725 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.442 ' HB3' HH11 ' A' ' 60' ' ' ARG . 76.7 m95 -113.87 164.51 13.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.276 178.109 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -98.15 134.33 11.68 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.535 177.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.488 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 4.3 t90 -102.63 144.87 30.48 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 -177.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -100.71 15.92 26.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.764 0.792 . . . . 0.0 110.65 -175.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.1 t -120.14 101.67 11.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.823 178.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.413 ' HA ' ' HG ' ' A' ' 34' ' ' SER . 5.0 m -107.77 12.99 26.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.542 0.687 . . . . 0.0 110.86 -176.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.1 mttp -139.76 143.16 33.78 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.63 176.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.411 ' O ' ' HB2' ' A' ' 51' ' ' GLU . 33.4 Cg_endo -64.78 174.85 4.15 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.647 2.231 . . . . 0.0 111.33 175.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 50' ' ' PRO . 35.7 mt-10 74.09 -37.44 0.37 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.05 0.54 . . . . 0.0 111.496 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.405 ' H ' ' C ' ' A' ' 50' ' ' PRO . 65.1 tt0 -74.61 -15.38 60.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.148 0.499 . . . . 0.0 110.589 178.453 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 54.3 mt -69.66 114.95 7.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.75 -179.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.94 -177.63 5.53 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.413 ' HG3' ' CE2' ' A' ' 62' ' ' PHE . 19.9 ttt180 -62.89 -38.13 89.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.533 0.206 . . . . 0.0 111.128 -179.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -64.07 -43.04 96.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.99 0.424 . . . . 0.0 110.7 -177.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.5 p -77.09 -13.61 59.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.207 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 86.6 mt -104.99 10.91 33.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.679 178.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -60.59 -29.04 68.95 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -178.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.442 HH11 ' HB3' ' A' ' 43' ' ' TRP . 32.8 ttm180 -69.63 -28.19 65.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.116 0.484 . . . . 0.0 109.813 176.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 63.5 t -78.04 -42.67 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.897 178.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.413 ' CE2' ' HG3' ' A' ' 55' ' ' ARG . 60.5 m-85 -62.89 -32.46 73.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 176.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -69.6 -33.89 73.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.051 0.453 . . . . 0.0 110.799 178.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -103.73 17.8 23.32 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.899 -178.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.34 -21.78 65.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.548 -176.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -59.4 -27.06 65.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.802 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -101.95 3.99 39.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.3 mt -116.57 110.17 30.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.239 0.542 . . . . 0.0 110.942 -176.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -98.44 -46.16 5.87 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.277 173.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.9 m -116.76 133.79 55.58 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.913 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 64.5 tp -123.87 111.32 15.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.974 0.416 . . . . 0.0 110.496 -179.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 66.6 mt -97.35 126.15 50.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.531 178.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.49 HG22 ' HB1' ' A' ' 122' ' ' ALA . 93.4 t -120.26 122.23 67.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.985 0.422 . . . . 0.0 110.996 -177.227 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.431 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -103.0 102.91 2.31 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 175.218 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.519 HG21 ' HB3' ' A' ' 80' ' ' TRP . 7.3 p -87.74 25.13 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -173.014 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 98.55 -123.7 7.96 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.997 175.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.47 -27.33 22.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.852 0.358 . . . . 0.0 111.308 -175.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -121.86 165.22 16.24 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.276 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.762 HG21 ' HA ' ' A' ' 100' ' ' MET . 58.9 t -94.85 104.12 15.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.118 178.188 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.519 ' HB3' HG21 ' A' ' 75' ' ' THR . 70.2 t90 -80.16 119.97 23.65 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 176.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.6 mm -87.26 115.48 27.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.023 -178.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.9 136.56 95.07 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.717 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -56.22 151.56 42.99 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.855 2.37 . . . . 0.0 112.109 178.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 -48.86 -43.6 38.95 Favored 'General case' 0 N--CA 1.463 0.219 0 O-C-N 123.474 0.484 . . . . 0.0 111.557 -178.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -53.98 -50.67 66.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.228 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.2 tp -77.03 -39.68 49.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.754 -177.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -59.73 -47.75 84.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.337 -178.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -73.82 -31.53 63.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.777 -177.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.14 -45.92 89.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.721 0.296 . . . . 0.0 110.718 176.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.74 -46.67 84.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.752 178.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 67.4 ttt-85 -63.64 -35.65 81.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.999 0.428 . . . . 0.0 110.654 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -63.09 -28.25 71.83 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.616 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.674 HG12 HG22 ' A' ' 95' ' ' VAL . 7.2 p -98.29 21.52 1.43 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 CA-C-O 121.526 0.679 . . . . 0.0 109.995 179.06 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.412 ' HB3' ' O ' ' A' ' 93' ' ' VAL . 9.6 t30 79.97 -7.03 1.71 Allowed 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 115.114 -0.948 . . . . 0.0 112.101 172.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.674 HG22 HG12 ' A' ' 93' ' ' VAL . 81.1 t -70.86 105.77 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.236 0.541 . . . . 0.0 110.825 -176.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.1 t -74.8 100.54 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.027 177.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 59.8 tp -79.59 125.95 30.26 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.603 -179.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -128.72 117.5 21.25 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 175.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.1 134.22 55.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.64 -169.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.762 ' HA ' HG21 ' A' ' 79' ' ' VAL . 1.4 pmm? -166.02 -171.58 2.05 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.386 176.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -62.67 150.89 39.74 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.322 174.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.564 ' O ' HG13 ' A' ' 106' ' ' ILE . 6.5 m -55.91 -44.56 78.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.936 -176.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.07 -64.61 4.23 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 121.203 -0.522 . . . . 0.0 113.038 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -51.78 -38.98 68.14 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.691 2.261 . . . . 0.0 112.531 175.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.36 -43.41 92.85 Favored 'General case' 0 C--O 1.232 0.169 0 O-C-N 123.356 0.41 . . . . 0.0 111.338 -179.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.564 HG13 ' O ' ' A' ' 102' ' ' THR . 71.4 mt -61.48 -40.37 86.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.111 0.481 . . . . 0.0 109.974 177.481 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.436 ' O ' HG13 ' A' ' 111' ' ' ILE . 16.6 tpt180 -63.71 -48.1 78.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.925 -177.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.573 ' O ' ' HG2' ' A' ' 112' ' ' MET . 0.1 OUTLIER -63.88 -38.92 92.87 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.618 0.247 . . . . 0.0 111.091 178.292 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.528 ' O ' HG12 ' A' ' 113' ' ' ILE . 44.2 t80 -56.56 -40.73 75.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.571 178.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.91 -41.07 97.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.644 177.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 107' ' ' ARG . 58.2 mt -65.33 -46.01 91.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.048 -179.2 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.573 ' HG2' ' O ' ' A' ' 108' ' ' THR . 97.2 mmm -59.7 -32.33 70.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.855 -175.073 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.528 HG12 ' O ' ' A' ' 109' ' ' TYR . 48.3 mm -54.38 -32.36 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-O 121.007 0.432 . . . . 0.0 111.183 -179.188 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -115.12 39.45 2.77 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.509 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -156.54 -44.62 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.017 0.437 . . . . 0.0 110.937 178.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 116' ' ' ARG . 17.7 ttm-85 -148.03 86.36 1.57 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 177.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.408 ' O ' ' HB2' ' A' ' 118' ' ' ARG . 83.6 mtm180 -64.05 179.72 0.51 Allowed 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 114.52 -1.218 . . . . 0.0 110.6 175.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' A' ' 117' ' ' ARG . 3.3 mpp_? 69.2 29.26 4.69 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.855 0.836 . . . . 0.0 108.891 -169.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 7.1 p -104.18 133.05 49.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.769 178.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -117.26 154.68 30.76 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.913 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.461 ' HB1' ' HB2' ' A' ' 37' ' ' PHE . . . -128.47 114.73 17.15 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.985 0.421 . . . . 0.0 111.336 -178.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.49 ' HB1' HG22 ' A' ' 73' ' ' VAL . . . -95.01 96.52 9.32 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 173.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 94.7 mt -108.28 122.6 47.3 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.14 0.495 . . . . 0.0 111.612 -172.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 57.3 mt -104.59 134.65 45.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.239 -0.891 . . . . 0.0 108.792 172.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.62 143.94 56.77 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.916 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 58.3 t -64.52 122.58 79.28 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.022 178.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -50.7 144.07 27.15 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 123.06 2.507 . . . . 0.0 112.42 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.527 ' HB3' ' O ' ' A' ' 131' ' ' HIS . 7.8 mp -78.79 84.53 4.85 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.143 -179.548 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -83.55 -45.8 13.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.896 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -91.66 -13.3 32.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.423 -174.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.527 ' O ' ' HB3' ' A' ' 128' ' ' LEU . 45.2 m-70 -119.79 85.02 2.3 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 177.127 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -126.84 96.13 4.54 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.44 0.638 . . . . 0.0 111.594 -176.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 9.3 p80 177.95 29.51 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.745 -1.116 . . . . 0.0 108.546 175.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 33.0 t-80 -96.75 117.78 31.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.714 -170.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 7.1 t60 . . . . . 0 C--O 1.248 1.005 0 CA-C-N 115.333 -0.849 . . . . 0.0 108.724 171.308 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptt? . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 120.656 0.265 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -122.53 -85.98 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 121.218 -0.193 . . . . 0.0 110.538 178.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.413 ' HA ' ' OE1' ' A' ' 3' ' ' GLN . 15.4 mm-40 56.3 36.74 28.0 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.138 0.494 . . . . 0.0 111.206 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -99.38 -22.0 15.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.681 0.753 . . . . 0.0 109.237 178.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.1 t -135.28 110.27 8.82 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 114.803 -1.09 . . . . 0.0 109.644 177.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.84 21.48 17.18 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.961 178.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.6 mt 63.41 91.94 0.07 OUTLIER Pre-proline 0 C--O 1.233 0.229 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.853 -175.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.586 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 51.5 Cg_exo -54.25 144.82 58.18 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 123.38 2.72 . . . . 0.0 113.143 -173.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -57.85 -40.17 79.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.686 176.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.426 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 98.3 m-85 -129.26 139.82 36.81 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.453 178.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 10' ' ' PHE . 3.0 Cg_exo -76.02 63.47 6.83 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 123.027 2.485 . . . . 0.0 111.911 179.425 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.665 ' HG2' ' HA ' ' A' ' 40' ' ' ASP . 99.9 mtt180 54.76 74.46 0.35 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.46 0.648 . . . . 0.0 110.708 -177.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.8 m -113.66 103.8 11.6 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.892 -176.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -105.86 83.92 1.99 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.692 176.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -151.34 120.97 6.95 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 -177.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.8 mt -103.16 112.46 36.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 176.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.548 ' HB2' ' HA ' ' A' ' 26' ' ' PHE . 23.0 m-20 -80.84 -68.75 0.66 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.437 -176.199 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.436 ' HB2' ' HB3' ' A' ' 25' ' ' TYR . . . -126.15 144.66 50.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.182 0.515 . . . . 0.0 111.501 -178.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -140.9 136.34 32.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.779 175.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 133.2 -58.67 0.69 Allowed Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.265 175.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.422 ' HE3' ' HB2' ' A' ' 21' ' ' LYS . 36.6 ttmt -84.51 114.15 21.74 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 120.901 0.381 . . . . 0.0 110.415 -178.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.97 48.24 74.53 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.474 -178.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.74 -131.55 10.83 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.784 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -100.52 150.7 22.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.899 0.38 . . . . 0.0 110.773 178.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.561 ' HD1' ' HA ' ' A' ' 30' ' ' SER . 62.3 t80 -142.17 117.89 10.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.788 174.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.548 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 26.6 p90 -142.6 171.99 13.31 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 177.125 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.57 90.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.16 0.505 . . . . 0.0 111.327 178.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 149.46 -43.16 0.78 Allowed Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.959 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.501 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . 24.3 mmt -135.53 127.53 29.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.007 0.432 . . . . 0.0 110.407 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.561 ' HA ' ' HD1' ' A' ' 25' ' ' TYR . 37.3 p -106.47 112.43 25.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.217 -177.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 69.05 90.79 0.09 Allowed 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.888 0.743 . . . . 0.0 112.082 176.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -143.1 138.0 29.55 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.017 173.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.499 ' HA3' HG23 ' A' ' 48' ' ' THR . . . -90.22 1.64 80.15 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.959 -177.58 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.476 ' HB3' ' O ' ' A' ' 47' ' ' VAL . 8.5 p -157.33 117.23 3.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.92 0.391 . . . . 0.0 111.492 -178.497 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 97.0 mt -130.58 146.14 52.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.052 -178.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.5 mt -113.08 96.88 6.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.42 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -83.82 93.49 7.99 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.024 179.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.474 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 82.7 mt -90.63 160.47 38.77 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.644 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -53.15 -31.73 56.32 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.089 2.526 . . . . 0.0 113.919 -176.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.665 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 6.2 m-20 -105.07 -46.8 4.16 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -178.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.586 ' HB3' ' HB3' ' A' ' 8' ' ' PRO . . . -137.96 153.33 49.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.145 0.498 . . . . 0.0 111.748 -175.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.7 t -94.88 122.68 46.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.064 177.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 20.3 m95 -107.76 178.47 4.52 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.92 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -132.03 150.72 19.65 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.215 -0.993 . . . . 0.0 112.847 -176.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.471 ' HB2' ' HB2' ' A' ' 34' ' ' SER . 1.4 m0 -110.7 -166.4 1.08 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -140.31 22.36 2.38 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 171.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.476 ' O ' ' HB3' ' A' ' 34' ' ' SER . 45.2 t -101.6 91.69 2.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 114.639 -1.164 . . . . 0.0 110.163 -175.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.499 HG23 ' HA3' ' A' ' 33' ' ' GLY . 8.5 m -95.68 -14.14 23.68 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.292 0.568 . . . . 0.0 110.753 -177.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 46.7 mtmt -103.4 125.03 36.14 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.077 177.315 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 49' ' ' LYS . 34.2 Cg_exo -60.62 173.42 2.14 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 123.172 2.581 . . . . 0.0 112.586 179.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.414 ' C ' ' H ' ' A' ' 53' ' ' ILE . 44.0 tt0 74.37 -29.51 0.2 Allowed 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.443 0.697 . . . . 0.0 111.83 -179.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.416 ' H ' ' C ' ' A' ' 50' ' ' PRO . 14.8 mm100 -78.05 22.31 0.3 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.958 0.409 . . . . 0.0 111.62 -179.528 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.414 ' H ' ' C ' ' A' ' 51' ' ' GLU . 47.1 mt -81.8 78.64 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 175.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -101.62 168.83 9.23 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.858 -177.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 -58.64 -30.51 67.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.978 0.418 . . . . 0.0 110.079 177.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -61.95 -30.33 70.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.064 177.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.7 t -92.06 -24.37 19.19 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.162 0.506 . . . . 0.0 110.053 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.6 mt -86.8 15.1 6.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.576 -177.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.403 ' HA ' ' OE1' ' A' ' 59' ' ' GLN . 13.2 mm-40 -59.88 -38.59 82.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.754 0.311 . . . . 0.0 110.622 179.102 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 60' ' ' ARG . 58.9 mtt85 -69.79 -11.39 60.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.141 177.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.5 t -94.97 -45.84 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.236 178.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -66.6 -34.86 78.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.885 0.374 . . . . 0.0 110.902 178.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -66.7 -25.82 66.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.683 178.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -116.51 27.32 9.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.479 -178.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.58 -26.7 68.81 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.768 -176.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -87.8 5.71 38.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.994 0.426 . . . . 0.0 111.129 179.41 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -120.02 -0.68 10.53 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.754 178.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 71.7 mt -130.39 128.84 64.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.566 -177.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.456 ' HB3' ' HB2' ' A' ' 118' ' ' ARG . 7.6 t70 -102.11 -57.69 2.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.128 0.49 . . . . 0.0 109.937 176.297 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 43.0 m -112.64 132.08 55.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.276 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.0 tp -117.36 113.47 22.16 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.807 0.337 . . . . 0.0 110.178 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 66.5 mt -96.98 115.72 37.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.925 178.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 89.0 t -100.11 119.82 48.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.528 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.47 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -91.28 117.16 5.11 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 178.098 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.507 ' HB ' ' O ' ' A' ' 78' ' ' ASP . 0.8 OUTLIER -97.48 -1.03 45.03 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.108 0.48 . . . . 0.0 111.716 -177.31 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.415 ' HA2' ' OG1' ' A' ' 102' ' ' THR . . . 79.23 -106.28 2.37 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.961 -0.637 . . . . 0.0 113.834 173.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -85.38 -26.43 26.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -170.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.507 ' O ' ' HB ' ' A' ' 75' ' ' THR . 2.8 m-20 -134.19 131.81 39.03 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.416 -179.49 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.405 ' HB ' ' HG3' ' A' ' 101' ' ' GLN . 6.3 p -80.83 97.38 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 122.084 0.945 . . . . 0.0 110.677 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.517 ' O ' HG22 ' A' ' 99' ' ' THR . 79.4 t90 -79.46 116.07 19.46 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.274 176.062 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 7.9 tp -87.1 123.16 39.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.314 0.578 . . . . 0.0 110.273 -177.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.07 131.0 89.2 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.731 -179.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -75.1 170.93 19.3 Favored 'Trans proline' 0 C--O 1.237 0.472 0 C-N-CA 122.5 2.133 . . . . 0.0 112.598 -178.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 34.5 mmm-85 -50.11 -44.7 52.25 Favored 'General case' 0 C--O 1.222 -0.395 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.833 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -49.85 -53.84 23.09 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.011 0.434 . . . . 0.0 111.522 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 36.3 tp -72.46 -41.03 66.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.959 -176.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -69.57 -35.11 75.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.688 -176.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.525 ' OE1' ' HD3' ' A' ' 91' ' ' ARG . 3.5 tp10 -66.77 -38.43 86.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.972 178.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.5 -48.07 83.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.071 179.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.57 HD12 HD22 ' A' ' 97' ' ' LEU . 79.2 mt -73.18 -28.53 62.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.111 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.525 ' HD3' ' OE1' ' A' ' 88' ' ' GLU . 29.3 ttt180 -61.69 -36.34 80.61 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.989 0.423 . . . . 0.0 110.108 174.492 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -68.09 -11.94 62.01 Favored Glycine 0 CA--C 1.52 0.366 0 CA-C-N 115.817 -0.629 . . . . 0.0 113.13 -178.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.462 HG23 HG22 ' A' ' 95' ' ' VAL . 16.6 m -119.14 14.01 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 117.01 0.405 . . . . 0.0 111.29 177.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 69.26 22.11 6.81 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 175.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.462 HG22 HG23 ' A' ' 93' ' ' VAL . 96.6 t -95.34 114.77 32.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.047 0.451 . . . . 0.0 110.318 178.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 42.7 t -76.25 106.5 6.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.094 179.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.57 HD22 HD12 ' A' ' 90' ' ' LEU . 65.1 tp -88.46 118.18 27.91 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.359 -177.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -126.47 125.91 42.88 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 174.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.517 HG22 ' O ' ' A' ' 80' ' ' TRP . 5.1 m -104.9 125.92 51.42 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.308 -179.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.47 ' O ' ' HA2' ' A' ' 74' ' ' GLY . 45.8 tpp -139.5 156.59 46.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.748 -174.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.405 ' HG3' ' HB ' ' A' ' 79' ' ' VAL . 44.5 mt-30 -83.2 167.6 17.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.877 177.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.441 ' O ' HG13 ' A' ' 106' ' ' ILE . 7.8 m -44.17 -64.47 0.67 Allowed 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -170.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -52.86 -67.91 1.87 Allowed Glycine 0 C--N 1.333 0.382 0 C-N-CA 121.453 -0.403 . . . . 0.0 113.621 -173.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -56.12 -29.81 76.43 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.722 2.281 . . . . 0.0 112.903 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.0 -48.62 73.3 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.549 0.214 . . . . 0.0 110.928 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 102' ' ' THR . 69.9 mt -59.75 -44.13 93.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.706 -179.17 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 18.8 mtm180 -62.26 -51.53 67.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.585 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 27.0 m -62.49 -41.08 98.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.231 -176.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.434 ' CD1' ' HB2' ' A' ' 121' ' ' ALA . 64.5 t80 -61.17 -53.45 56.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.073 -179.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -57.7 -42.57 84.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.784 0.326 . . . . 0.0 111.376 -177.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 83.0 mt -70.26 -45.07 76.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.002 -178.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.677 ' HB3' HG12 ' A' ' 119' ' ' VAL . 35.0 tpp -66.68 -31.41 72.06 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.951 0.405 . . . . 0.0 110.64 -177.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.9 mm -69.29 -41.85 81.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.29 173.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -60.61 -42.5 99.25 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.274 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -81.69 -3.88 54.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.908 0.385 . . . . 0.0 110.867 178.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 55.29 48.98 18.05 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.003 174.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.564 ' HD3' ' SD ' ' A' ' 112' ' ' MET . 44.7 mtp85 -92.5 33.91 1.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.555 -178.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.456 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 48.7 mtm-85 59.48 47.01 11.53 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.789 171.401 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.677 HG12 ' HB3' ' A' ' 112' ' ' MET . 10.7 p -106.39 146.9 12.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.895 0.379 . . . . 0.0 111.426 -175.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -130.38 154.33 47.8 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 173.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.434 ' HB2' ' CD1' ' A' ' 109' ' ' TYR . . . -121.84 128.99 52.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.201 0.524 . . . . 0.0 111.91 -176.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -110.89 99.15 8.1 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 173.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 91.0 mt -103.91 120.78 41.73 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.977 0.418 . . . . 0.0 111.651 -171.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 65.1 mt -108.53 139.5 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.425 175.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -102.49 178.07 4.69 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.951 0.405 . . . . 0.0 111.109 -177.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.454 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . 22.7 m -89.77 134.17 32.68 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.699 179.109 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 126' ' ' VAL . 20.8 Cg_exo -65.68 108.25 1.21 Allowed 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.684 2.256 . . . . 0.0 111.658 177.087 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 61.8 tp -80.94 104.31 11.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.682 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 72.32 -67.81 0.25 Allowed 'General case' 0 N--CA 1.464 0.227 0 O-C-N 123.863 0.727 . . . . 0.0 112.089 176.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -153.26 140.98 20.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.057 -174.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -117.83 -27.48 6.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.766 175.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -87.32 77.96 8.84 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.297 0.57 . . . . 0.0 110.662 179.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 -163.87 82.41 0.44 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.134 172.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -158.29 -5.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.656 -178.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 10.6 p80 . . . . . 0 C--O 1.246 0.89 0 CA-C-O 119.439 -0.315 . . . . 0.0 110.551 177.042 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.463 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 57.2 m-85 . . . . . 0 N--CA 1.455 -0.192 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.698 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 7.9 Cg_endo -87.05 101.01 0.53 Allowed 'Trans proline' 0 N--CA 1.452 -0.934 0 C-N-CA 123.218 2.612 . . . . 0.0 112.412 -174.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.424 ' O ' ' HD2' ' A' ' 12' ' ' ARG . 6.9 tmm_? 61.4 89.48 0.08 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.681 0.753 . . . . 0.0 110.858 179.005 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.571 HG22 ' H ' ' A' ' 15' ' ' ALA . 29.4 m -114.14 136.7 52.65 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.325 -178.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -104.33 -5.02 22.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.093 0.473 . . . . 0.0 111.023 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.571 ' H ' HG22 ' A' ' 13' ' ' THR . . . -105.57 110.1 22.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.541 -176.387 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 57.0 mt -108.47 137.68 39.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 173.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -142.19 150.63 41.27 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.881 -173.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 25' ' ' TYR . . . 52.89 84.57 0.05 Allowed 'General case' 0 N--CA 1.465 0.308 0 O-C-N 124.287 0.992 . . . . 0.0 112.775 174.194 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.448 ' OH ' HG13 ' A' ' 126' ' ' VAL . 52.7 t80 -107.54 131.61 54.15 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.364 177.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 148.79 -104.57 0.28 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.471 177.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -75.24 116.56 16.1 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.965 0.412 . . . . 0.0 110.033 -177.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.47 -1.27 62.02 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.479 -175.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.06 -113.53 4.31 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.066 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -111.57 98.18 7.26 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.497 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 83.7 t80 -92.72 93.41 8.45 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.404 0.621 . . . . 0.0 110.022 -178.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -142.69 135.41 27.99 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.336 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 60.67 83.23 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.03 0.831 . . . . 0.0 112.577 175.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.4 -69.65 2.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.828 -0.701 . . . . 0.0 114.094 170.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.2 tpt -136.23 156.64 48.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.84 0.32 . . . . 0.0 111.242 -171.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.7 m -63.27 138.73 58.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.162 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -119.78 107.41 13.15 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -116.23 175.42 5.56 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.716 0.293 . . . . 0.0 111.098 -176.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.99 -114.12 4.6 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 -176.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.488 ' OG ' ' HB3' ' A' ' 45' ' ' TRP . 7.7 p -141.88 133.08 26.31 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 175.579 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 97.6 mt -114.13 136.86 52.47 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.047 -176.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.589 ' HG ' ' HB2' ' A' ' 45' ' ' TRP . 97.4 mt -106.26 98.57 8.23 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.963 176.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.543 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 90.0 m-85 -78.34 96.76 5.39 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.149 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.7 mt -107.65 156.49 37.87 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.41 -177.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -57.12 -29.46 83.37 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.598 2.199 . . . . 0.0 112.097 175.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -70.92 -56.19 6.78 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.441 177.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.698 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -169.82 172.97 6.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.042 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.9 t -90.05 101.71 12.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 175.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -103.03 165.17 11.18 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.679 -176.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.03 141.51 15.56 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.101 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.589 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 6.5 t90 -100.6 153.88 19.04 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.049 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -100.29 22.69 11.15 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.326 0.584 . . . . 0.0 111.338 -172.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.454 HG13 ' HB2' ' A' ' 52' ' ' GLN . 71.5 t -102.88 129.77 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.13 177.507 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.6 m -93.38 -42.04 9.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.765 -174.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -139.2 163.68 44.19 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.919 -174.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -56.51 165.88 4.08 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.647 2.232 . . . . 0.0 112.305 174.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 71.29 -21.57 0.2 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.53 0.732 . . . . 0.0 112.196 -177.191 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.454 ' HB2' HG13 ' A' ' 47' ' ' VAL . 49.2 mt-30 -76.88 -5.92 50.36 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.114 0.483 . . . . 0.0 110.26 173.719 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.434 HD11 HD11 ' A' ' 124' ' ' ILE . 52.6 mt -77.8 86.79 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.548 0.69 . . . . 0.0 109.958 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -108.84 169.99 8.32 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.448 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.3 mtm-85 -59.59 -32.74 70.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.702 0.287 . . . . 0.0 110.806 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -76.67 -28.94 56.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.038 178.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.8 m -73.54 -20.42 60.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.244 0.545 . . . . 0.0 110.176 178.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.6 mt -88.61 19.76 3.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.675 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -49.81 -60.58 2.77 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.64 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -66.56 -19.56 65.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 -176.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.8 t -74.86 -52.58 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.293 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -63.55 -34.41 77.74 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.163 0.506 . . . . 0.0 110.432 176.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -59.63 -36.11 75.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.372 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -111.69 14.99 21.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.042 -177.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.3 -9.04 36.94 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -175.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -71.84 -26.65 62.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.029 0.442 . . . . 0.0 110.466 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.61 1.98 41.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.662 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.3 mt -105.51 115.23 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.851 -176.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.482 ' HB3' ' HB2' ' A' ' 118' ' ' ARG . 10.6 t70 -96.32 -47.67 5.91 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.39 175.043 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.417 ' HB ' HG23 ' A' ' 119' ' ' VAL . 4.9 m -117.29 133.97 55.35 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.11 178.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 55.3 tp -119.66 111.34 17.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.926 0.393 . . . . 0.0 110.199 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 61.9 mt -93.75 117.56 37.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.031 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 87.5 t -101.81 111.06 30.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.815 0.341 . . . . 0.0 110.383 177.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.422 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -96.33 108.21 3.64 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 176.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 22.1 p -84.41 7.2 20.42 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -173.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.52 -115.65 4.36 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.711 -0.757 . . . . 0.0 113.312 174.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.17 -22.24 18.57 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -172.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -127.5 155.73 43.28 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -178.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.4 t -90.83 104.42 15.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.058 0.456 . . . . 0.0 111.369 -175.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.439 ' O ' HG21 ' A' ' 99' ' ' THR . 74.8 t90 -97.9 113.82 25.74 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 174.211 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 7.4 tp -86.98 125.47 40.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 120.977 0.418 . . . . 0.0 110.639 -177.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.14 132.29 93.78 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.418 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.88 149.86 40.1 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.927 2.418 . . . . 0.0 112.088 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 -50.94 -49.36 59.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.93 -176.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -61.82 -46.18 90.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.567 0.222 . . . . 0.0 111.094 -177.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.57 -43.86 98.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.983 0.42 . . . . 0.0 110.673 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.668 ' HG3' HD23 ' A' ' 97' ' ' LEU . 50.8 ttt180 -64.58 -40.46 95.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.428 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -73.31 -35.06 66.02 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.256 -176.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.44 -44.07 92.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.717 177.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.796 HD12 HD22 ' A' ' 97' ' ' LEU . 89.8 mt -63.6 -35.97 82.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.616 178.028 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -60.88 -33.37 73.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.277 175.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -71.31 -15.97 75.15 Favored Glycine 0 N--CA 1.452 -0.248 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.542 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.41 ' O ' ' HB2' ' A' ' 94' ' ' ASN . 10.3 t -94.61 3.37 9.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 177.21 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 93' ' ' VAL . 45.2 m-80 71.32 17.96 5.74 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.264 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 58.1 t -92.54 117.97 37.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.391 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.8 t -73.6 100.98 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.03 178.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.796 HD22 HD12 ' A' ' 90' ' ' LEU . 40.6 tp -90.17 130.56 36.3 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.158 -178.349 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -137.87 133.8 34.3 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 173.123 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.439 HG21 ' O ' ' A' ' 80' ' ' TRP . 22.8 m -106.13 123.99 48.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.268 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.516 ' SD ' ' HB2' ' A' ' 104' ' ' PRO . 40.6 ttm -146.64 165.69 28.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.09 -174.352 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -77.32 149.25 35.33 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 173.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.567 ' O ' HG13 ' A' ' 106' ' ' ILE . 5.9 m -54.03 -42.29 69.0 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -171.143 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -55.56 -67.37 2.25 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 121.051 -0.595 . . . . 0.0 113.217 -177.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.516 ' HB2' ' SD ' ' A' ' 100' ' ' MET . 32.3 Cg_exo -59.01 -27.85 86.2 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.531 2.154 . . . . 0.0 112.059 177.406 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.08 -40.69 94.99 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.522 177.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.567 HG13 ' O ' ' A' ' 102' ' ' THR . 88.8 mt -59.07 -45.99 92.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.314 176.607 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.416 ' O ' HG13 ' A' ' 111' ' ' ILE . 83.9 mtt180 -63.6 -50.77 68.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.052 178.546 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.9 m -62.0 -37.61 85.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.85 0.357 . . . . 0.0 110.967 -178.097 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -61.76 -47.29 85.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.458 176.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -59.58 -29.1 67.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.145 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 107' ' ' ARG . 78.1 mt -77.57 -51.88 17.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.03 178.604 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 65.5 mtm -77.58 -20.38 54.11 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -173.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 10.1 tp -63.94 -35.27 72.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.754 0.311 . . . . 0.0 110.511 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -87.21 -23.01 42.29 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.637 -0.792 . . . . 0.0 111.758 177.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -72.08 -70.6 0.33 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.77 0.319 . . . . 0.0 110.705 -178.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.463 ' O ' ' HG3' ' A' ' 118' ' ' ARG . 2.9 ptp180 -99.21 -28.09 13.5 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -175.051 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.6 4.52 3.39 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 122.591 0.356 . . . . 0.0 111.666 -177.373 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.482 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 34.3 mtt180 -108.72 26.41 10.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.209 0.528 . . . . 0.0 110.137 -178.374 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.417 HG23 ' HB ' ' A' ' 70' ' ' THR . 7.2 p -105.59 132.4 52.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.984 -174.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -115.84 136.23 53.24 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.631 177.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.543 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -114.51 118.11 32.85 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.982 0.42 . . . . 0.0 111.14 -177.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -104.12 96.11 6.43 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 175.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 90.3 mt -109.09 126.23 52.97 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.065 -174.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.434 HD11 HD11 ' A' ' 53' ' ' ILE . 57.7 mt -101.5 140.29 20.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.841 177.12 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.28 151.73 36.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.887 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.448 HG13 ' OH ' ' A' ' 19' ' ' TYR . 22.7 m . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.612 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 . . . . . 0 CA--C 1.518 -0.252 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.495 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 88.4 Cg_exo -47.42 -55.68 3.73 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.973 2.449 . . . . 0.0 113.136 -174.174 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.495 ' HB2' ' O ' ' A' ' 11' ' ' PRO . 21.6 ttm180 169.25 85.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.287 -0.869 . . . . 0.0 108.675 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.4 t -143.77 127.19 16.82 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.273 0.559 . . . . 0.0 111.127 -173.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -106.44 64.54 0.66 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 173.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.46 102.52 15.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.362 -171.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.795 HG21 HD13 ' A' ' 106' ' ' ILE . 35.5 mm -112.09 99.38 8.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 173.226 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -62.9 -56.58 16.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.075 0.464 . . . . 0.0 109.912 -177.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -170.23 174.33 5.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.078 177.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 48.3 p90 -144.63 157.49 44.18 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.834 0.35 . . . . 0.0 110.225 176.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 148.82 108.53 0.49 Allowed Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.936 -0.65 . . . . 0.0 111.495 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.4 tttm 70.01 124.72 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.381 0.61 . . . . 0.0 110.951 -176.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.37 -73.46 1.68 Allowed Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.751 -178.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 177.08 -121.57 0.79 Allowed Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.485 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -114.06 137.74 51.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.654 0.264 . . . . 0.0 110.568 -177.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -104.18 109.24 20.98 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.157 177.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.517 ' HE1' ' HB2' ' A' ' 31' ' ' HIS . 14.4 p90 -140.86 138.02 33.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.219 -178.393 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 59.89 15.21 4.75 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 176.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.39 -0.41 63.58 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.388 -178.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 65.3 mtt -102.66 131.6 49.34 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.691 0.281 . . . . 0.0 110.932 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.7 m -94.92 90.98 6.19 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 174.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.517 ' HB2' ' HE1' ' A' ' 26' ' ' PHE . 25.7 t60 -89.3 110.02 20.84 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.19 -173.117 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -82.01 139.61 34.42 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.945 174.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.12 -123.62 6.78 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.292 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.4 p -133.76 155.42 49.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.093 0.473 . . . . 0.0 111.438 -178.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 49.4 mt -122.91 154.47 38.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.47 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 tt -128.39 97.07 4.61 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.54 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 78.6 m-85 -85.55 125.16 32.88 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.377 -178.584 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 71.2 mt -116.37 159.6 39.28 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.712 177.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -64.58 -17.11 58.51 Favored 'Trans proline' 0 CA--C 1.529 0.272 0 C-N-CA 122.573 2.182 . . . . 0.0 112.849 -178.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -100.13 -25.05 14.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.712 -0.222 . . . . 0.0 111.588 -176.058 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -175.97 172.87 2.36 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.87 0.366 . . . . 0.0 111.089 -178.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.0 t -94.55 128.59 45.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.039 177.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 69.9 m95 -126.37 -179.18 4.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.896 0.379 . . . . 0.0 110.313 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -115.46 160.18 13.41 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 121.028 -0.606 . . . . 0.0 111.805 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -112.99 169.51 8.87 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -118.47 23.37 11.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.573 0.702 . . . . 0.0 111.136 -171.051 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 68.0 t -113.62 103.16 14.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.139 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.9 m -81.28 -34.99 31.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.258 -177.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -124.28 130.12 24.46 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.325 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.27 91.8 0.22 Allowed 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.034 2.49 . . . . 0.0 113.42 -175.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -171.89 -46.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.03 174.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -80.81 42.31 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.814 -177.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 51.6 mt -81.95 80.61 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 171.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -109.11 168.66 9.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.449 -173.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.4 ttp180 -50.31 -37.52 36.88 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.128 0.571 . . . . 0.0 111.698 177.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -73.01 -34.01 66.11 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.853 0.358 . . . . 0.0 111.321 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.6 m -70.45 -24.44 62.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.386 0.612 . . . . 0.0 110.121 177.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.557 HD13 HD21 ' A' ' 90' ' ' LEU . 76.3 mt -99.74 19.84 15.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.446 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -56.29 -42.9 78.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.304 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 73.6 mtm-85 -75.47 -14.61 60.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.636 0.255 . . . . 0.0 111.233 179.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 58.4 t -82.2 -47.81 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.152 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -64.66 -33.79 76.77 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.018 0.437 . . . . 0.0 110.566 177.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -70.37 -48.67 55.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.328 -178.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -95.35 29.23 2.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.062 0.458 . . . . 0.0 110.875 -176.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.411 ' HA ' ' HB ' ' A' ' 68' ' ' ILE . . . -73.03 7.81 1.89 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.574 -179.143 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -78.08 -36.79 47.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.376 0.608 . . . . 0.0 109.489 174.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.81 -22.88 14.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.9 178.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.411 ' HB ' ' HA ' ' A' ' 65' ' ' ALA . 62.7 mt -84.58 94.55 3.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.046 0.45 . . . . 0.0 110.784 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.64 ' HB2' ' HD3' ' A' ' 118' ' ' ARG . 7.8 t70 -94.53 -60.49 1.7 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.791 174.535 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.5 m -104.51 124.09 48.65 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.792 177.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 65.5 tp -116.44 111.89 20.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.784 0.326 . . . . 0.0 110.821 -177.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 62.5 mt -97.31 120.11 46.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.198 178.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.7 t -101.3 122.88 53.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -104.27 98.4 1.54 Allowed Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.385 -176.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.1 p -120.19 97.8 5.76 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.924 0.392 . . . . 0.0 110.793 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.38 8.91 77.4 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.259 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.27 -34.83 15.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.849 0.357 . . . . 0.0 110.852 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -172.94 160.83 4.37 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 -178.149 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.1 t -86.9 97.71 6.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.913 0.387 . . . . 0.0 110.098 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 61.7 t90 -82.83 118.69 23.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.458 -178.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 66.4 mt -103.79 121.92 55.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.239 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.414 ' HA ' ' HD3' ' A' ' 83' ' ' PRO . . . -74.15 133.18 78.53 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 -179.194 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 82' ' ' ALA . 20.6 Cg_exo -65.22 165.1 23.09 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.815 2.343 . . . . 0.0 111.363 176.718 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.587 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 66.8 mtm-85 -64.72 -43.42 93.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.642 -173.022 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -60.74 -46.84 88.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.803 0.335 . . . . 0.0 110.857 -177.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.8 tp -67.81 -38.46 83.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 179.007 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 31.4 ttp85 -64.89 -43.77 91.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.826 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.587 ' HG2' ' O ' ' A' ' 84' ' ' ARG . 25.7 mm-40 -63.6 -32.44 73.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.933 0.397 . . . . 0.0 110.414 177.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.54 -51.71 47.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.688 177.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.557 HD21 HD13 ' A' ' 58' ' ' LEU . 74.3 mt -67.17 -54.9 16.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.031 -178.53 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.456 ' HA ' ' O ' ' A' ' 95' ' ' VAL . 18.6 ttt85 -74.15 -19.83 60.43 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.936 0.398 . . . . 0.0 110.738 -173.692 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -68.84 -33.34 75.1 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.101 177.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.51 HG23 HG23 ' A' ' 95' ' ' VAL . 27.3 m -90.79 26.54 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.841 0.353 . . . . 0.0 110.409 177.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.44 ' HB3' ' O ' ' A' ' 93' ' ' VAL . 7.0 t30 85.29 -24.24 0.14 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.968 174.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.51 HG23 HG23 ' A' ' 93' ' ' VAL . 79.3 t -60.44 108.46 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.376 0.608 . . . . 0.0 111.512 -175.152 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.1 t -80.02 102.51 6.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.717 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 52.2 tp -78.78 119.68 22.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.498 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -128.52 116.23 19.36 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.19 177.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.9 p -97.43 139.46 33.33 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.015 0.436 . . . . 0.0 111.384 -178.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 52.9 tpp -152.3 164.01 38.29 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.114 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -75.7 155.52 35.6 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 175.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.407 ' O ' HG13 ' A' ' 106' ' ' ILE . 31.6 m -49.07 -51.45 31.35 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -174.214 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.74 -68.21 1.82 Allowed Glycine 0 CA--C 1.522 0.5 0 C-N-CA 121.231 -0.509 . . . . 0.0 113.298 -177.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -57.66 -27.79 78.83 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 122.7 2.267 . . . . 0.0 112.95 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.87 -47.87 73.45 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.583 0.23 . . . . 0.0 110.713 178.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.795 HD13 HG21 ' A' ' 16' ' ' ILE . 92.3 mt -60.33 -47.03 94.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.52 179.073 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 53.7 ttm-85 -58.64 -51.94 67.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 45.8 m -64.15 -39.6 94.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -64.73 -39.22 93.28 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.282 -0.167 . . . . 0.0 110.852 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -59.8 -41.35 91.02 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.999 0.428 . . . . 0.0 110.743 177.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 69.3 mt -71.7 -39.54 69.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.395 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.541 ' HG2' HG21 ' A' ' 119' ' ' VAL . 2.5 tpt -65.39 -51.96 56.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.519 -178.311 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 11.4 tp -72.23 -17.9 19.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.895 0.379 . . . . 0.0 111.219 -175.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -66.82 -14.15 62.58 Favored Glycine 0 CA--C 1.518 0.254 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.891 -178.095 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -101.08 6.87 43.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.803 -0.234 . . . . 0.0 110.572 178.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 116' ' ' ARG . 13.2 ttp85 56.21 78.72 0.19 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.771 0.796 . . . . 0.0 110.083 -175.098 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -122.54 151.05 41.76 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.184 -174.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.64 ' HD3' ' HB2' ' A' ' 69' ' ' ASP . 10.0 ptp180 -69.59 78.69 0.42 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.375 0.607 . . . . 0.0 110.793 174.015 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.541 HG21 ' HG2' ' A' ' 112' ' ' MET . 9.7 p -138.58 146.54 26.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.414 -176.536 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -128.86 155.55 45.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.347 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.54 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -130.62 120.37 23.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.918 0.389 . . . . 0.0 111.522 -178.018 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -105.5 97.57 7.39 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 175.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 91.5 mt -103.3 126.86 50.69 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.048 -173.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 55.1 mt -111.47 138.8 38.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.975 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.89 156.66 38.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.031 0.443 . . . . 0.0 111.161 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 42.6 t . . . . . 0 C--N 1.323 -0.544 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.421 -179.16 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.608 ' HE1' ' HA3' ' A' ' 28' ' ' GLY . 66.6 m-85 . . . . . 0 C--O 1.233 0.217 0 CA-C-O 120.773 0.32 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -82.01 63.5 8.33 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.965 2.444 . . . . 0.0 112.416 -177.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 66.22 92.76 0.07 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.215 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.5 m -91.61 103.62 16.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.803 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -100.89 -4.24 28.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.911 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.03 107.56 14.68 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.797 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.4 mt -118.58 139.62 45.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.419 -178.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -151.51 -169.31 3.34 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 178.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 25' ' ' TYR . . . 55.36 31.32 16.52 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.334 0.588 . . . . 0.0 111.609 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -104.68 130.38 52.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.267 -179.207 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 165.49 -40.33 0.28 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.1 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -137.9 143.47 40.85 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.59 -52.69 4.49 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.44 177.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.03 -121.14 0.99 Allowed Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 111.636 -0.586 . . . . 0.0 111.636 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -127.19 116.8 21.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.919 0.39 . . . . 0.0 110.791 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.433 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 64.2 t80 -111.46 98.82 7.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.89 174.127 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -116.11 170.47 8.48 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.981 178.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.4 110.62 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 O-C-N 123.697 0.623 . . . . 0.0 110.907 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.608 ' HA3' ' HE1' ' A' ' 10' ' ' PHE . . . 128.67 -108.63 0.92 Allowed Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.761 -177.585 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.536 ' HB2' ' HZ ' ' A' ' 10' ' ' PHE . 26.4 mmt -118.89 142.84 47.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.949 0.404 . . . . 0.0 110.862 -175.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.7 p -83.06 152.85 25.18 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.074 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.675 ' HB2' HD21 ' A' ' 35' ' ' LEU . 68.9 m80 -145.25 164.31 31.77 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -109.83 -71.53 0.76 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -174.01 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.81 -80.2 0.24 Allowed Glycine 0 N--CA 1.455 -0.061 0 CA-C-N 115.857 -0.61 . . . . 0.0 114.091 -168.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.577 ' OG ' ' HB3' ' A' ' 45' ' ' TRP . 7.8 p -145.6 150.07 35.7 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.174 0.511 . . . . 0.0 111.572 -175.705 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.675 HD21 ' HB2' ' A' ' 31' ' ' HIS . 3.6 mm? -121.64 151.68 40.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.777 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.7 mt -112.29 96.39 5.99 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.698 177.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.561 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 85.8 m-85 -84.24 95.45 8.68 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.106 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.0 mt -85.57 164.03 41.89 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.508 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -71.65 17.07 0.31 Allowed 'Trans proline' 0 CA--C 1.533 0.45 0 C-N-CA 123.005 2.47 . . . . 0.0 113.804 -175.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -154.15 -32.14 0.11 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -144.34 156.52 44.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.721 0.296 . . . . 0.0 110.913 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.3 t -105.42 116.94 50.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.534 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 35.9 m95 -108.7 174.33 5.92 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.751 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -105.07 150.25 16.99 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.452 176.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.577 ' HB3' ' OG ' ' A' ' 34' ' ' SER . 5.1 t90 -106.58 162.95 13.29 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -110.18 25.56 11.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.348 0.594 . . . . 0.0 110.465 -172.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.415 HG13 ' HB3' ' A' ' 52' ' ' GLN . 92.6 t -113.68 135.42 53.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.583 -178.519 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 33.1 m -89.51 -38.09 14.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.295 -177.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.605 ' HB2' ' HD2' ' A' ' 50' ' ' PRO . 23.6 pttm -152.83 164.99 18.56 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.682 -0.236 . . . . 0.0 110.689 -177.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.605 ' HD2' ' HB2' ' A' ' 49' ' ' LYS . 11.1 Cg_endo -55.09 166.39 2.25 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.97 2.446 . . . . 0.0 112.444 176.474 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.506 ' HA ' ' CZ2' ' A' ' 80' ' ' TRP . 34.5 tt0 75.26 -27.39 0.19 Allowed 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.475 0.71 . . . . 0.0 111.062 -178.14 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.415 ' HB3' HG13 ' A' ' 47' ' ' VAL . 61.8 tt0 -77.83 -2.09 34.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.669 0.747 . . . . 0.0 109.936 174.254 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 57.2 mt -76.05 110.59 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.294 178.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.49 ' H ' ' HB2' ' A' ' 57' ' ' SER . 2.8 p30 -145.27 -173.32 4.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.796 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.5 ttp-105 -62.99 -36.39 83.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.036 -173.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -78.31 -39.04 40.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.06 0.457 . . . . 0.0 110.232 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.49 ' HB2' ' H ' ' A' ' 54' ' ' ASP . 32.8 m -67.19 -20.81 65.77 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.904 178.444 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.527 HD12 HD11 ' A' ' 86' ' ' LEU . 85.5 mt -97.17 17.32 17.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.436 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -55.46 -49.74 71.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.436 0.16 . . . . 0.0 111.407 -178.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.7 ttm-85 -62.59 -24.08 67.37 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.982 0.42 . . . . 0.0 110.82 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 65.2 t -77.18 -47.93 25.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.118 178.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.426 ' HA ' ' HB2' ' A' ' 65' ' ' ALA . 66.7 m-85 -64.95 -29.7 70.65 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.128 0.49 . . . . 0.0 110.505 176.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -62.19 -30.76 71.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.09 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -123.31 23.78 8.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.67 -177.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.426 ' HB2' ' HA ' ' A' ' 62' ' ' PHE . . . -62.69 -23.93 67.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.999 -175.238 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -66.87 -18.98 65.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.962 0.41 . . . . 0.0 111.134 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -105.69 6.7 32.15 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.758 -179.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 58.6 mt -112.67 130.16 66.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.245 0.545 . . . . 0.0 111.097 -176.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.528 ' HB3' ' HB2' ' A' ' 118' ' ' ARG . 3.3 t70 -114.7 -47.72 2.88 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.844 178.065 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 63.8 m -124.66 126.6 45.99 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.102 177.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 57.8 tp -110.1 113.02 25.38 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 62.1 mt -103.28 111.17 32.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.816 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.0 t -94.69 114.9 32.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.061 -178.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -82.86 106.12 2.72 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 175.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.585 ' HB ' ' O ' ' A' ' 78' ' ' ASP . 0.7 OUTLIER -87.78 -1.04 57.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.19 0.519 . . . . 0.0 111.674 -173.155 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.43 -113.11 4.56 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.234 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -109.98 6.26 22.97 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -175.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.585 ' O ' ' HB ' ' A' ' 75' ' ' THR . 35.7 t70 -147.07 151.36 36.74 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.2 t -90.91 108.14 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.928 0.394 . . . . 0.0 110.814 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.506 ' CZ2' ' HA ' ' A' ' 51' ' ' GLU . 40.6 t90 -88.06 140.05 29.89 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 175.018 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 63.2 mt -87.2 100.58 10.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.1 0.476 . . . . 0.0 110.059 -178.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.436 ' HA ' ' HD3' ' A' ' 83' ' ' PRO . . . -58.71 139.99 85.83 Favored Pre-proline 0 C--O 1.236 0.368 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.553 177.081 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.493 ' HD3' ' CH2' ' A' ' 80' ' ' TRP . 50.3 Cg_exo -53.74 134.45 58.7 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.304 2.669 . . . . 0.0 113.103 -175.748 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -55.12 -46.95 75.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.486 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.65 -46.12 91.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.109 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.527 HD11 HD12 ' A' ' 58' ' ' LEU . 43.3 tp -61.64 -39.93 93.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.505 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 30.0 ttm105 -62.08 -45.54 93.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.567 176.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -68.66 -27.47 66.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.74 -49.27 66.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.949 0.404 . . . . 0.0 110.362 176.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.698 ' HB3' ' HB ' ' A' ' 95' ' ' VAL . 95.8 mt -64.54 -42.26 95.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.151 0.501 . . . . 0.0 110.239 176.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 91' ' ' ARG . 0.1 OUTLIER -62.66 -30.36 71.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.603 178.068 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -67.73 -29.47 73.83 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.099 177.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 40.6 t -83.28 -81.43 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.71 0.291 . . . . 0.0 110.31 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -168.1 15.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.267 0.556 . . . . 0.0 110.143 -178.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.698 ' HB ' ' HB3' ' A' ' 90' ' ' LEU . 48.8 t -114.81 119.52 61.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.914 0.388 . . . . 0.0 111.868 -168.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.6 t -84.62 123.85 39.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 171.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.414 HD22 HD12 ' A' ' 90' ' ' LEU . 58.2 tp -99.89 107.92 20.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.956 0.408 . . . . 0.0 111.64 -174.259 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -114.93 142.84 46.06 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.436 HG22 ' OG1' ' A' ' 75' ' ' THR . 1.1 m -129.32 127.65 41.54 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 -177.147 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 24.3 ptp -157.79 178.3 10.4 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.579 0.228 . . . . 0.0 110.898 -176.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 -65.47 160.65 21.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.848 0.356 . . . . 0.0 111.229 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.434 ' O ' HG13 ' A' ' 106' ' ' ILE . 0.7 OUTLIER -63.19 -40.56 97.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.031 -177.596 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -54.45 -64.17 4.54 Favored Glycine 0 CA--C 1.522 0.486 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.805 178.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -57.04 -33.51 95.85 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.79 2.327 . . . . 0.0 112.793 177.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.65 -44.62 89.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.747 0.308 . . . . 0.0 111.209 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 102' ' ' THR . 79.5 mt -64.0 -40.26 88.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.211 0.529 . . . . 0.0 109.906 176.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.407 ' O ' HG13 ' A' ' 111' ' ' ILE . 27.5 ttm-85 -65.88 -46.25 79.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.066 -178.4 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.4 p -66.41 -40.43 89.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.561 -177.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -60.95 -45.68 93.75 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 175.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -55.52 -33.48 63.82 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.117 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 107' ' ' ARG . 83.2 mt -79.54 -53.27 13.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.225 179.029 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 65.8 mtt -64.98 -32.79 74.69 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -173.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 11.0 tp -66.2 -24.43 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.026 0.441 . . . . 0.0 110.748 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -70.37 -30.17 69.45 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.838 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -89.59 2.85 54.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.802 0.334 . . . . 0.0 110.828 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' ' 116' ' ' ARG . 20.4 ttm-85 59.68 32.89 21.73 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.65 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -81.92 145.49 30.29 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 174.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.528 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 97.5 mtt180 -70.85 75.69 0.62 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.39 0.614 . . . . 0.0 110.886 -178.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 7.2 p -106.49 129.22 60.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.651 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -116.86 121.39 41.35 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.627 177.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.561 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -101.78 109.6 21.4 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.086 0.469 . . . . 0.0 110.933 -178.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -93.96 95.57 9.15 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.158 176.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 80.3 mt -100.64 114.96 29.1 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.121 -173.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 57.0 mt -97.91 128.37 49.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.815 176.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -73.39 148.05 43.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.318 178.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 18.9 m . . . . . 0 C--N 1.322 -0.628 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.031 -179.118 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.414 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 89.6 m-85 . . . . . 0 N--CA 1.457 -0.113 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 10' ' ' PHE . 6.1 Cg_exo -77.17 97.59 1.16 Allowed 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 123.077 2.518 . . . . 0.0 113.841 -167.34 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.475 HH21 ' HD2' ' A' ' 117' ' ' ARG . 69.0 mtp85 53.84 33.53 17.28 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.418 169.663 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.9 t -90.84 118.09 29.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.612 0.72 . . . . 0.0 110.853 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -104.37 26.21 9.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.135 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.38 102.32 15.01 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.92 -176.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.51 HD12 HG23 ' A' ' 106' ' ' ILE . 63.9 mt -111.23 112.49 40.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.242 176.326 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -81.11 -45.9 15.75 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -174.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -143.51 127.91 17.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.813 0.339 . . . . 0.0 111.705 -177.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -111.04 124.03 51.36 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 172.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.402 ' O ' ' HB3' ' A' ' 21' ' ' LYS . . . 92.95 140.73 10.09 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 -173.1 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.402 ' HB3' ' O ' ' A' ' 20' ' ' GLY . 86.9 tttt 68.27 111.85 0.04 OUTLIER 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.435 0.636 . . . . 0.0 110.123 -172.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 75.24 11.31 84.2 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 120.827 -0.701 . . . . 0.0 111.859 -172.303 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.56 -105.53 2.74 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.75 -178.195 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -131.76 120.02 22.1 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 176.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -100.84 101.33 12.14 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 178.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -102.65 177.22 4.92 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 175.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.95 93.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.941 0.4 . . . . 0.0 110.935 177.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 148.47 -75.93 0.26 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.558 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 23.1 ptp -148.14 168.03 23.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.737 0.303 . . . . 0.0 111.309 -177.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.9 m -87.89 123.18 32.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.457 176.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -124.96 105.79 9.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.658 0.266 . . . . 0.0 110.613 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -84.7 150.86 24.83 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 175.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 122.42 -103.64 0.85 Allowed Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 -177.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.1 t -153.26 143.58 22.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.834 0.35 . . . . 0.0 110.196 177.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 84.4 mt -130.37 136.74 49.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.352 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.58 101.6 9.99 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -83.04 107.3 15.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.489 -178.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.431 HD12 ' CD1' ' A' ' 43' ' ' TRP . 94.1 mt -103.33 155.4 36.81 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.688 176.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.473 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 52.8 Cg_exo -56.32 -23.73 47.78 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.775 2.317 . . . . 0.0 113.014 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -90.39 -53.91 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 0.0 111.132 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -150.79 159.05 44.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.84 0.353 . . . . 0.0 111.306 -176.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.9 t -90.59 113.64 26.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.924 176.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.431 ' CD1' HD12 ' A' ' 38' ' ' LEU . 98.1 m95 -106.24 160.52 15.28 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.915 0.388 . . . . 0.0 110.904 -178.294 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.56 132.13 11.06 Favored Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 175.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -103.17 132.48 49.4 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -93.47 63.12 3.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.355 0.598 . . . . 0.0 110.544 -173.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.529 HG13 ' HB3' ' A' ' 52' ' ' GLN . 78.3 t -137.71 137.04 45.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.747 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 28.2 m -91.51 -42.69 10.12 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.784 0.291 . . . . 0.0 111.784 -176.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.504 ' HE3' ' HB2' ' A' ' 51' ' ' GLU . 58.8 pttt -139.84 159.32 65.25 Favored Pre-proline 0 C--N 1.33 -0.266 0 O-C-N 122.278 -0.264 . . . . 0.0 111.19 -177.443 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.599 ' HB3' HG22 ' A' ' 75' ' ' THR . 39.8 Cg_exo -58.42 -27.23 81.0 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.097 2.532 . . . . 0.0 113.195 -179.237 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.504 ' HB2' ' HE3' ' A' ' 49' ' ' LYS . 48.9 mt-10 -76.58 -4.16 41.4 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.037 0.446 . . . . 0.0 111.13 -178.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.529 ' HB3' HG13 ' A' ' 47' ' ' VAL . 36.3 tt0 -97.68 8.51 44.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.447 0.641 . . . . 0.0 109.926 -178.586 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.47 HG22 HD21 ' A' ' 86' ' ' LEU . 74.1 mt -77.42 117.09 21.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.669 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -144.7 173.1 12.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.416 -178.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 76.4 mtm-85 -55.73 -37.07 67.97 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 122.558 0.343 . . . . 0.0 111.443 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -72.12 -33.1 67.54 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -177.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.8 p -85.64 -23.4 27.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.007 0.432 . . . . 0.0 110.426 178.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.428 HD13 HD21 ' A' ' 90' ' ' LEU . 91.9 mt -91.53 13.48 17.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.071 176.29 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -56.33 -38.1 70.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.674 0.273 . . . . 0.0 111.001 -178.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.6 -30.42 70.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.911 0.386 . . . . 0.0 110.604 177.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.6 t -72.26 -43.98 64.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.581 -179.122 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -70.82 -31.81 68.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.037 0.446 . . . . 0.0 110.836 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -78.06 -46.71 20.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.245 -178.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -94.76 26.72 3.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.209 0.528 . . . . 0.0 110.267 -176.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.89 -21.64 66.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.579 -174.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -70.96 -26.24 63.07 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.653 0.263 . . . . 0.0 111.669 -176.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -94.32 -6.92 43.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.434 -177.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 22.9 pt -120.81 114.87 45.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.612 0.72 . . . . 0.0 111.957 -176.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.425 ' HB3' ' HB3' ' A' ' 118' ' ' ARG . 5.4 t70 -91.05 -50.66 5.74 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.514 174.233 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.7 m -114.49 126.95 55.53 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.985 178.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -113.22 114.4 26.68 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.479 ' HA ' ' O ' ' A' ' 98' ' ' ASP . 58.0 mt -102.82 128.84 55.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.422 -179.072 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 62.8 t -111.72 124.23 68.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.36 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -93.97 95.36 1.93 Allowed Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 177.419 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.599 HG22 ' HB3' ' A' ' 50' ' ' PRO . 17.3 p -83.2 51.7 2.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.108 0.48 . . . . 0.0 112.141 -174.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.521 ' HA2' HG22 ' A' ' 126' ' ' VAL . . . 77.29 -128.48 8.99 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.756 177.167 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -110.28 18.63 19.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.988 0.423 . . . . 0.0 111.239 -176.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -150.63 162.64 40.28 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.3 t -94.47 96.56 6.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.008 0.433 . . . . 0.0 110.971 -177.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.538 ' O ' HG21 ' A' ' 99' ' ' THR . 81.1 t90 -80.29 121.41 25.62 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 175.322 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 7.8 tp -87.5 122.66 39.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.408 0.623 . . . . 0.0 110.72 -176.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.05 140.75 83.34 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.412 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_exo -56.76 146.17 79.1 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.562 2.174 . . . . 0.0 111.708 178.161 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 84' ' ' ARG . 9.3 mmm180 -60.19 -37.78 81.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.884 -173.634 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -60.7 -40.52 92.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.89 0.376 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.47 HD21 HG22 ' A' ' 53' ' ' ILE . 58.0 tp -74.9 -37.42 62.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.838 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.586 ' HG3' HD23 ' A' ' 97' ' ' LEU . 8.1 ttp180 -67.79 -48.8 65.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.258 -178.491 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.78 -19.06 62.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.149 179.163 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.46 -45.25 84.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.842 0.353 . . . . 0.0 110.109 174.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.491 HD12 HD22 ' A' ' 97' ' ' LEU . 95.6 mt -66.67 -36.54 82.79 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.182 176.196 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -69.51 -20.19 63.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.596 178.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -59.3 -35.42 84.7 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.914 -0.585 . . . . 0.0 112.723 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -89.7 -85.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.993 177.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -160.0 14.05 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.861 0.362 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 58.8 t -95.15 114.07 30.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.927 0.394 . . . . 0.0 111.27 -172.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.9 t -87.95 109.68 19.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.608 174.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.586 HD23 ' HG3' ' A' ' 87' ' ' ARG . 55.7 tp -86.95 128.75 35.07 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.293 -176.335 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.479 ' O ' ' HA ' ' A' ' 72' ' ' ILE . 38.4 t70 -128.95 120.83 26.81 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.423 173.623 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.538 HG21 ' O ' ' A' ' 80' ' ' TRP . 12.0 m -105.29 130.57 53.39 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.435 -177.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.475 ' CG ' ' HB2' ' A' ' 104' ' ' PRO . 42.5 tpp -150.07 163.21 38.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.228 -175.416 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.456 ' HB2' ' HD2' ' A' ' 104' ' ' PRO . 58.3 mt-30 -66.24 152.46 44.83 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 173.742 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.422 ' O ' HG13 ' A' ' 106' ' ' ILE . 4.8 p -49.8 -49.55 48.31 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -175.324 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -53.79 -68.81 1.45 Allowed Glycine 0 CA--C 1.523 0.538 0 C-N-CA 121.312 -0.471 . . . . 0.0 113.201 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.475 ' HB2' ' CG ' ' A' ' 100' ' ' MET . 41.1 Cg_exo -57.9 -30.24 88.99 Favored 'Trans proline' 0 CA--C 1.532 0.401 0 C-N-CA 122.716 2.278 . . . . 0.0 113.008 178.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.44 -49.15 70.24 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.681 0.277 . . . . 0.0 110.722 178.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.51 HG23 HD12 ' A' ' 16' ' ' ILE . 84.0 mt -58.66 -43.31 87.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.182 177.707 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -58.39 -52.96 63.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.732 177.081 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 26.0 m -59.54 -42.79 93.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.755 -178.195 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -64.08 -48.87 74.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.195 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -63.95 -32.87 74.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.015 -175.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 81.8 mt -77.91 -44.18 28.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.993 0.425 . . . . 0.0 110.368 176.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.9 tpt -64.34 -36.66 84.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.24 -176.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' A' ' 117' ' ' ARG . 11.1 tp -68.45 -15.19 19.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.161 0.505 . . . . 0.0 110.59 -179.049 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -99.58 -5.52 55.45 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.049 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -111.62 -29.88 7.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.378 0.609 . . . . 0.0 110.632 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -163.36 90.39 0.65 Allowed 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -174.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.48 ' HA ' HD12 ' A' ' 113' ' ' ILE . 67.7 mtm-85 -64.92 74.92 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.419 178.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.425 ' HB3' ' HB3' ' A' ' 69' ' ' ASP . 24.2 mtt180 -156.75 29.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.142 178.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.1 p -126.64 146.64 32.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.331 -174.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -134.74 152.31 51.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.916 176.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -128.07 122.77 32.94 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.99 0.424 . . . . 0.0 111.412 -177.106 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -100.05 107.16 19.01 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.734 175.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.1 mt -100.0 124.4 45.32 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.992 0.425 . . . . 0.0 110.988 -176.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 62.2 mt -108.86 140.48 27.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.565 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -53.15 129.2 30.38 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -174.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.521 HG22 ' HA2' ' A' ' 76' ' ' GLY . 39.0 t . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.84 175.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -89.87 106.79 0.37 Allowed 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 123.182 2.588 . . . . 0.0 113.147 -173.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.555 ' HG2' ' O ' ' A' ' 39' ' ' PRO . 39.0 mtt85 63.15 25.83 15.04 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.075 171.05 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.0 t -90.33 128.91 36.57 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.264 0.554 . . . . 0.0 110.299 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.87 92.82 3.29 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.458 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.19 102.55 3.37 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.937 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.0 mm -98.16 109.9 24.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 175.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -86.06 -48.87 8.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.859 0.362 . . . . 0.0 110.902 -176.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.598 ' HB3' ' HB3' ' A' ' 25' ' ' TYR . . . -128.63 136.99 51.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.06 0.457 . . . . 0.0 110.692 177.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -139.32 139.97 37.42 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.9 -179.108 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 139.86 -91.61 0.19 Allowed Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.26 -0.971 . . . . 0.0 113.043 175.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -107.85 121.26 44.39 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.898 0.38 . . . . 0.0 111.344 -172.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.06 -3.76 28.6 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.475 178.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.721 ' HA2' ' HB1' ' A' ' 125' ' ' ALA . . . 115.31 -139.16 15.29 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -178.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -119.1 152.96 35.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.984 0.421 . . . . 0.0 110.188 175.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.598 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 91.3 t80 -132.38 108.84 9.44 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.085 0.469 . . . . 0.0 110.542 178.049 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -113.57 177.13 4.74 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.109 173.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.26 91.82 0.99 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.048 0.451 . . . . 0.0 110.96 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 149.81 -78.18 0.22 Allowed Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.967 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 24.9 ttt -126.08 152.91 45.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.741 0.305 . . . . 0.0 110.984 -173.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.1 t -143.71 -167.92 2.71 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 34.9 m170 72.27 24.91 2.96 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.404 0.682 . . . . 0.0 111.505 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.445 ' HG3' HD21 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -117.91 151.58 37.13 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 176.184 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.421 ' HA2' ' CB ' ' A' ' 125' ' ' ALA . . . -114.61 8.23 22.15 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.402 -0.904 . . . . 0.0 113.258 -176.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.745 ' HB3' ' HB3' ' A' ' 45' ' ' TRP . 6.6 m -147.02 114.68 6.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 117.037 0.418 . . . . 0.0 110.805 -176.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.445 HD21 ' HG3' ' A' ' 32' ' ' GLN . 90.1 mt -135.55 137.24 41.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.91 0.386 . . . . 0.0 111.499 -178.468 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.1 mt -109.59 100.85 9.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.268 176.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.44 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 93.0 m-85 -90.85 92.56 8.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.861 0.362 . . . . 0.0 110.239 178.303 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.9 mt -96.31 158.56 33.71 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.917 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.555 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 12.2 Cg_exo -71.24 7.34 1.46 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.948 2.432 . . . . 0.0 112.362 179.094 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -122.69 -56.15 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.144 179.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -144.57 154.62 43.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.062 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.1 t -98.4 117.48 43.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.655 174.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -109.2 150.19 28.28 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.086 -176.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.13 127.95 8.46 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 110.764 -0.935 . . . . 0.0 110.764 173.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.745 ' HB3' ' HB3' ' A' ' 34' ' ' SER . 1.1 t90 -99.32 151.41 21.09 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -175.371 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -105.38 9.47 33.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 122.207 1.003 . . . . 0.0 110.386 -178.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.526 HG21 ' HB3' ' A' ' 57' ' ' SER . 86.8 t -96.24 95.01 4.46 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.347 -178.369 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.2 p -93.02 8.89 38.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.915 -176.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.533 ' HB2' ' HB2' ' A' ' 52' ' ' GLN . 97.8 mttt -130.53 132.42 23.97 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.716 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 49' ' ' LYS . 43.1 Cg_exo -58.03 -33.37 97.18 Favored 'Trans proline' 0 CA--C 1.528 0.195 0 C-N-CA 122.931 2.421 . . . . 0.0 112.69 -179.591 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -96.36 10.71 37.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.551 0.691 . . . . 0.0 110.834 -177.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.533 ' HB2' ' HB2' ' A' ' 49' ' ' LYS . 52.5 tt0 -95.39 7.29 46.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.856 0.836 . . . . 0.0 109.295 176.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 69.0 mt -76.37 103.98 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.127 177.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -126.9 169.88 12.82 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.745 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.97 -41.09 64.24 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 122.706 0.403 . . . . 0.0 110.451 177.491 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -66.55 -41.06 89.22 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.571 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.526 ' HB3' HG21 ' A' ' 47' ' ' VAL . 13.8 m -65.75 -24.65 67.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.587 178.163 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 88.5 mt -103.25 16.95 25.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.856 -178.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -58.92 -39.31 81.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.897 0.38 . . . . 0.0 110.753 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -69.34 -27.91 65.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.59 176.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.5 t -70.42 -37.3 70.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.37 179.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -65.29 -40.84 94.37 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.193 0.521 . . . . 0.0 110.009 174.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -69.15 -41.38 77.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.459 -177.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -96.5 17.55 15.97 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.152 -178.245 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.81 -16.05 62.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.026 -177.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -65.25 -31.6 72.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.898 0.38 . . . . 0.0 110.765 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.467 ' O ' ' HG2' ' A' ' 39' ' ' PRO . . . -96.55 -4.43 41.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.804 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 68.0 mt -107.62 111.12 34.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.118 0.485 . . . . 0.0 111.204 -175.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -99.03 -62.3 1.25 Allowed 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 171.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 58.5 m -104.73 116.17 31.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.828 178.372 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.0 tp -105.16 106.58 17.14 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.075 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 50.3 mt -94.54 117.61 38.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.579 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.506 HG22 ' HB3' ' A' ' 122' ' ' ALA . 59.4 t -107.34 129.29 61.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.797 -178.462 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -107.59 111.13 3.35 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 175.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.615 HG21 ' HB3' ' A' ' 80' ' ' TRP . 23.1 p -72.08 -35.93 69.38 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.971 0.415 . . . . 0.0 111.966 -175.215 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 149.26 -127.64 2.53 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.808 -0.71 . . . . 0.0 111.515 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.544 ' HB2' HG13 ' A' ' 126' ' ' VAL . . . -88.05 -47.6 8.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.397 0.618 . . . . 0.0 109.639 177.53 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -82.18 160.43 23.06 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.471 177.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 14.3 p -104.72 113.2 41.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.667 0.746 . . . . 0.0 110.316 -177.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.615 ' HB3' HG21 ' A' ' 75' ' ' THR . 64.8 t90 -99.05 124.62 44.18 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.143 -178.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.2 mp -87.23 119.38 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.08 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.413 ' HA ' ' HD3' ' A' ' 83' ' ' PRO . . . -89.26 143.65 31.26 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.716 -178.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 82' ' ' ALA . 33.2 Cg_exo -61.97 131.5 35.24 Favored 'Trans proline' 0 C--O 1.24 0.586 0 C-N-CA 122.722 2.281 . . . . 0.0 111.944 177.386 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -58.41 -24.71 60.81 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.783 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -61.57 -34.29 75.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.937 0.398 . . . . 0.0 110.558 178.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.1 tp -73.54 -42.58 61.51 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 176.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.811 ' HG2' ' HB3' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -62.54 -38.53 90.38 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.031 176.74 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -68.93 -28.91 67.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.426 -177.055 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.87 -42.45 97.53 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 172.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.614 ' HB3' ' HB ' ' A' ' 95' ' ' VAL . 95.9 mt -72.29 -24.3 61.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.509 175.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.547 ' HD3' ' O ' ' A' ' 91' ' ' ARG . 0.1 OUTLIER -64.9 -30.75 71.77 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 177.172 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -56.67 -38.47 82.3 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.274 176.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.561 HG23 HG23 ' A' ' 95' ' ' VAL . 6.9 m -100.13 15.95 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.085 0.469 . . . . 0.0 110.723 177.57 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 64.01 29.64 14.26 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.199 -0.91 . . . . 0.0 112.599 173.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.614 ' HB ' ' HB3' ' A' ' 90' ' ' LEU . 74.9 t -86.24 118.61 32.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.065 0.459 . . . . 0.0 110.117 175.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 41.7 t -79.2 100.87 4.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 176.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.811 ' HB3' ' HG2' ' A' ' 87' ' ' ARG . 57.9 tp -89.62 121.93 32.27 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.5 -176.568 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -126.75 115.88 20.08 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.923 0.392 . . . . 0.0 110.028 177.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.5 m -97.8 123.06 41.59 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.766 -177.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 73.0 mtm -140.19 -175.75 4.36 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.079 177.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -86.16 162.48 18.34 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 175.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.1 p -54.54 -46.73 73.67 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -171.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -53.66 -67.07 2.33 Favored Glycine 0 CA--C 1.523 0.532 0 C-N-CA 121.34 -0.457 . . . . 0.0 113.277 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.55 -32.5 74.5 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.014 2.476 . . . . 0.0 113.089 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.18 -51.15 68.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.041 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 73.2 mt -62.39 -44.0 98.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -57.51 -52.36 65.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.453 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 15.9 m -65.5 -38.25 89.15 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.169 -177.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -63.62 -45.61 89.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.714 178.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -57.06 -44.92 83.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.542 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.407 ' O ' ' HG2' ' A' ' 115' ' ' GLU . 72.5 mt -66.35 -47.78 83.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.01 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 90.6 mmm -66.77 -38.3 86.28 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -174.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 11.2 tp -69.52 -26.45 31.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-O 121.064 0.459 . . . . 0.0 110.406 -178.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.82 -46.99 8.08 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.959 177.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 111' ' ' ILE . 15.0 mm-40 -61.72 -57.59 11.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.613 0.244 . . . . 0.0 111.027 -179.393 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 76.6 mtt180 -132.83 -104.02 0.25 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.862 0.363 . . . . 0.0 110.521 178.057 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 176.79 -155.55 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 -175.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 19.4 mmt85 62.6 22.09 13.09 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.448 0.642 . . . . 0.0 111.338 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.453 ' O ' ' HG3' ' A' ' 39' ' ' PRO . 7.1 p -116.37 131.02 70.15 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.606 178.27 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -122.96 145.11 48.77 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.396 -178.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.44 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -119.17 111.93 18.87 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.01 0.433 . . . . 0.0 111.047 -179.036 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.506 ' HB3' HG22 ' A' ' 73' ' ' VAL . . . -94.18 99.0 11.35 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 173.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 98.3 mt -108.89 115.93 31.03 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.062 0.458 . . . . 0.0 111.814 -170.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 67.3 mt -98.85 126.19 52.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 170.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.721 ' HB1' ' HA2' ' A' ' 23' ' ' GLY . . . -65.83 148.45 51.76 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.662 -174.302 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.544 HG13 ' HB2' ' A' ' 77' ' ' ALA . 94.0 t . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.691 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.444 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 41.2 m-85 . . . . . 0 N--CA 1.448 -0.54 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 10' ' ' PHE . 7.4 Cg_exo -72.69 77.42 2.23 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 123.081 2.521 . . . . 0.0 112.697 -176.118 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 56.68 76.32 0.31 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.265 177.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.1 t -96.7 133.35 41.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.571 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -107.77 -14.4 14.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.534 0.683 . . . . 0.0 110.183 177.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.57 102.74 15.39 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.067 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.5 mt -107.58 125.67 63.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.108 175.135 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -85.59 -58.3 2.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.709 0.29 . . . . 0.0 111.502 -173.197 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.89 144.96 39.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.89 0.376 . . . . 0.0 111.019 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -149.15 156.04 41.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.357 177.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.67 -56.15 4.68 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.027 -0.606 . . . . 0.0 113.24 175.041 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -51.94 -65.43 0.56 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.011 0.434 . . . . 0.0 111.421 -176.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -121.51 39.71 2.29 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 177.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.653 ' HA2' ' OE1' ' A' ' 32' ' ' GLN . . . 91.23 -168.5 32.39 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -175.104 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.403 ' O ' ' HA ' ' A' ' 30' ' ' SER . 92.1 m-85 -83.15 110.77 18.32 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 174.751 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.591 ' HA ' ' O ' ' A' ' 29' ' ' MET . 55.0 t80 -111.95 98.78 7.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.193 0.521 . . . . 0.0 110.366 -178.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -142.53 137.28 30.06 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.162 173.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 66.98 13.54 9.51 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.727 0.642 . . . . 0.0 111.215 -177.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.24 -9.53 61.21 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.939 -0.648 . . . . 0.0 113.573 176.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.591 ' O ' ' HA ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -88.06 165.03 15.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.153 0.476 . . . . 0.0 110.649 -178.55 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.501 ' OG ' ' HD2' ' A' ' 25' ' ' TYR . 67.8 m -151.53 138.86 19.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.503 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -173.97 137.7 0.58 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.488 176.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.653 ' OE1' ' HA2' ' A' ' 23' ' ' GLY . 10.1 mm100 -94.31 107.01 18.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.056 0.455 . . . . 0.0 109.826 173.156 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.11 -164.72 31.29 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 -178.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.671 ' HB2' ' O ' ' A' ' 45' ' ' TRP . 5.3 m -111.22 131.96 54.71 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 117.172 0.486 . . . . 0.0 110.579 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 96.0 mt -122.03 146.51 47.1 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.602 -177.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.7 111.76 22.35 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -92.17 101.54 14.05 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.126 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.435 ' C ' ' H ' ' A' ' 40' ' ' ASP . 94.5 mt -89.9 159.44 42.98 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.871 178.154 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -68.45 16.88 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.109 2.539 . . . . 0.0 113.058 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.435 ' H ' ' C ' ' A' ' 38' ' ' LEU . 23.9 m-20 -135.54 -53.27 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.66 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -150.28 159.58 44.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.651 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.1 t -89.96 132.02 35.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.264 177.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 79.1 m95 -124.81 159.21 31.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.599 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.63 130.82 10.18 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.807 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.671 ' O ' ' HB2' ' A' ' 34' ' ' SER . 27.0 t90 -136.49 76.91 1.62 Allowed 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 -178.276 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -74.43 97.65 3.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.204 -169.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 57.3 t -128.23 96.03 3.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.277 -0.874 . . . . 0.0 108.689 173.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.3 m -59.44 -46.97 87.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.091 -174.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.43 ' HE2' ' HB3' ' A' ' 49' ' ' LYS . 17.8 mtpt -117.18 127.1 26.93 Favored Pre-proline 0 C--N 1.325 -0.489 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.528 178.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.76 -8.09 20.26 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 123.4 2.733 . . . . 0.0 113.601 -174.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -67.58 -22.96 65.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.093 0.473 . . . . 0.0 110.458 178.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -92.52 24.62 3.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.686 -177.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 71.1 mt -76.01 103.09 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 172.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -136.22 -165.61 1.74 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.666 -174.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 35.8 mtm180 -73.42 -29.11 62.36 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.531 0.197 . . . . 0.0 111.531 -177.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -71.69 -45.32 62.22 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 120.953 0.406 . . . . 0.0 110.555 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.2 p -70.82 -35.24 72.4 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.931 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 88.2 mt -85.45 8.57 18.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.264 178.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -54.53 -41.68 69.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.984 0.421 . . . . 0.0 110.456 177.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -67.19 -30.65 70.65 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.458 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.6 t -71.34 -45.89 67.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.445 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -67.64 -33.15 74.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.767 177.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -72.73 -47.78 44.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.146 -178.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -94.62 23.82 5.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.41 0.624 . . . . 0.0 110.248 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.3 -12.71 54.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.764 -177.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -68.27 -25.13 65.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.925 0.393 . . . . 0.0 110.306 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -114.26 0.18 14.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.052 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.1 mt -112.76 97.96 6.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.077 0.465 . . . . 0.0 110.744 -177.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.947 ' HB3' ' HB3' ' A' ' 118' ' ' ARG . 0.7 OUTLIER -102.36 -34.83 9.04 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.947 176.872 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.504 ' O ' ' HA ' ' A' ' 119' ' ' VAL . 10.1 m -121.0 128.74 52.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.492 177.619 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 57.7 tp -129.85 111.84 12.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.995 0.426 . . . . 0.0 110.92 -177.082 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 59.6 mt -104.8 114.35 44.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.613 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.0 t -101.42 115.54 43.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.554 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -100.2 100.3 2.16 Favored Glycine 0 N--CA 1.443 -0.883 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 176.319 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.52 ' HA ' HD12 ' A' ' 124' ' ' ILE . 68.2 p -80.3 43.83 0.66 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.299 0.571 . . . . 0.0 111.775 -172.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.31 -111.21 3.66 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 111.696 -0.562 . . . . 0.0 111.696 -178.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -119.75 -15.86 8.84 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.127 0.489 . . . . 0.0 110.234 176.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -94.41 90.61 6.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.427 -179.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.461 ' HA ' ' OG1' ' A' ' 75' ' ' THR . 7.3 p -67.57 124.98 24.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.362 0.601 . . . . 0.0 111.785 -173.593 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 43.8 t90 -110.8 117.85 34.54 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.003 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 66.9 mt -87.83 120.22 36.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.244 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.404 ' HA ' ' HD3' ' A' ' 83' ' ' PRO . . . -74.36 135.04 76.13 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.238 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 82' ' ' ALA . 33.4 Cg_exo -60.49 158.93 29.61 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.94 2.427 . . . . 0.0 111.994 177.267 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 38.1 mtm-85 -61.57 -35.14 76.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.323 -175.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -65.87 -39.02 90.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.78 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.1 tp -73.93 -39.69 63.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.148 0.499 . . . . 0.0 110.014 178.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -60.8 -42.55 97.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.608 177.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -69.4 -35.32 75.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.11 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.96 -51.43 69.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.138 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.719 HD12 HD22 ' A' ' 97' ' ' LEU . 70.0 mt -69.64 -33.01 72.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.695 177.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -61.25 -30.91 70.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.29 -31.22 79.8 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 121.189 -0.529 . . . . 0.0 112.216 178.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.473 ' HB ' HG23 ' A' ' 95' ' ' VAL . 5.2 t -89.2 5.03 4.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.527 0.679 . . . . 0.0 109.383 176.615 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 93' ' ' VAL . 88.2 m-20 71.71 13.4 6.23 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 114.823 -1.08 . . . . 0.0 111.623 -179.171 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.496 ' HB ' ' HB3' ' A' ' 90' ' ' LEU . 56.0 t -76.23 110.13 11.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.041 0.448 . . . . 0.0 109.821 177.137 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.6 t -77.5 96.53 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.993 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.719 HD22 HD12 ' A' ' 90' ' ' LEU . 48.1 tp -90.22 138.26 31.67 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.174 -179.266 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -139.12 142.48 38.07 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 172.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.8 p -106.17 109.37 21.29 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -175.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.459 ' O ' ' HA2' ' A' ' 74' ' ' GLY . 21.1 mmt -132.56 -177.51 4.51 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.26 0.552 . . . . 0.0 111.577 -174.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -103.5 161.81 13.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.465 -0.788 . . . . 0.0 108.968 172.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.501 ' O ' HG13 ' A' ' 106' ' ' ILE . 7.5 p -52.43 -62.41 1.66 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -171.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -46.88 -64.23 2.8 Favored Glycine 0 CA--C 1.523 0.579 0 O-C-N 123.476 0.485 . . . . 0.0 113.914 -177.327 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.4 -36.78 94.65 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.772 2.315 . . . . 0.0 112.936 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.2 -42.63 75.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.431 -177.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 102' ' ' THR . 79.1 mt -59.8 -49.77 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-O 120.917 0.389 . . . . 0.0 110.742 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -61.46 -43.57 98.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.714 -178.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 33.0 m -64.48 -42.35 95.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.651 178.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -59.22 -43.01 92.32 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.985 178.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.4 ' O ' HG22 ' A' ' 113' ' ' ILE . 96.5 m-20 -62.5 -33.94 75.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.283 -179.171 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 54.4 mt -72.94 -42.82 60.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.905 0.383 . . . . 0.0 110.837 175.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 57.1 mtt -72.27 -30.19 64.6 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -175.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.4 HD12 ' HA ' ' A' ' 113' ' ' ILE . 10.9 tp -67.43 -8.47 8.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 CA-C-O 121.231 0.539 . . . . 0.0 110.959 -178.784 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -121.26 25.11 7.13 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.998 -0.62 . . . . 0.0 111.886 175.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -148.77 -36.15 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.969 0.414 . . . . 0.0 111.162 -177.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -145.05 79.07 1.58 Allowed 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -74.32 60.98 0.86 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.496 -175.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.947 ' HB3' ' HB3' ' A' ' 69' ' ' ASP . 79.0 mtt180 -135.2 14.78 3.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.244 175.661 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.504 ' HA ' ' O ' ' A' ' 70' ' ' THR . 7.4 p -107.34 134.01 50.35 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-N 114.847 -1.069 . . . . 0.0 111.963 -169.382 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -118.38 147.66 43.31 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.267 173.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -120.44 123.63 43.46 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.981 0.419 . . . . 0.0 111.477 -175.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -108.0 115.33 29.94 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 176.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 90.1 mt -114.38 123.31 49.15 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.922 0.392 . . . . 0.0 111.31 -175.174 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.52 HD12 ' HA ' ' A' ' 75' ' ' THR . 62.0 mt -94.58 148.5 4.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.053 177.759 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -45.44 140.55 3.08 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.367 -179.559 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.813 ' HB2' ' HB1' ' A' ' 41' ' ' ALA . 94.6 m-85 . . . . . 0 CA--C 1.527 0.08 0 CA-C-O 120.798 0.332 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 10' ' ' PHE . 4.3 Cg_exo -82.0 40.87 1.03 Allowed 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 123.661 2.908 . . . . 0.0 113.315 -175.411 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 68.48 104.74 0.05 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.358 0.599 . . . . 0.0 111.294 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.7 m -137.89 117.75 13.25 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.768 178.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -121.56 11.69 10.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.011 0.434 . . . . 0.0 110.73 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.18 115.66 28.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.347 -176.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.5 HD12 HG23 ' A' ' 106' ' ' ILE . 73.0 mt -107.75 126.86 64.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.633 178.782 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.472 ' H ' ' HA ' ' A' ' 26' ' ' PHE . 24.0 t70 -83.57 -55.68 4.15 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.511 -170.423 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -139.21 150.25 45.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.013 0.435 . . . . 0.0 111.28 -176.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -127.16 118.51 24.48 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.991 177.219 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 160.68 -105.56 0.27 Allowed Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.43 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -67.81 127.57 33.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.8 0.333 . . . . 0.0 110.724 -178.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.36 -5.49 80.78 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.904 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.19 -84.96 1.19 Allowed Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.65 -178.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -120.34 136.2 54.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.738 0.304 . . . . 0.0 110.75 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.427 ' CD1' ' HB2' ' A' ' 30' ' ' SER . 21.0 t80 -133.28 125.82 30.11 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 174.177 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.472 ' HA ' ' H ' ' A' ' 17' ' ' ASP . 41.7 p90 -139.2 177.39 7.94 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.789 -179.522 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.49 90.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.455 0.472 . . . . 0.0 110.26 177.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 150.59 -76.58 0.24 Allowed Glycine 0 N--CA 1.442 -0.915 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.942 -177.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -147.69 176.08 10.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.906 0.384 . . . . 0.0 111.656 -175.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.427 ' HB2' ' CD1' ' A' ' 25' ' ' TYR . 31.3 t -129.99 141.26 50.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.4 176.535 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 -167.72 154.11 7.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.617 0.246 . . . . 0.0 110.837 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.15 -163.18 0.8 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 175.705 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.71 -147.27 19.77 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.71 -0.757 . . . . 0.0 111.836 178.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.53 ' HB3' ' HE3' ' A' ' 45' ' ' TRP . 46.3 m -126.0 140.66 52.43 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.823 0.344 . . . . 0.0 110.229 178.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 97.7 mt -120.66 138.12 54.1 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.69 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.807 ' HG ' ' HB2' ' A' ' 45' ' ' TRP . 79.9 mt -99.83 96.43 7.58 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.88 178.395 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.429 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 84.4 m-85 -85.23 92.1 8.33 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.376 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.437 HD23 ' HB1' ' A' ' 120' ' ' ALA . 79.0 mt -102.34 156.82 34.78 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 115.239 -0.892 . . . . 0.0 109.678 -179.242 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -62.8 -11.89 26.31 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.516 2.144 . . . . 0.0 111.886 176.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -90.65 -57.56 2.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.061 177.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.813 ' HB1' ' HB2' ' A' ' 10' ' ' PHE . . . -161.82 172.9 15.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.015 -176.109 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.7 t -91.78 101.28 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.38 176.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -99.33 153.58 18.86 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.484 -177.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.36 126.55 8.29 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.034 -178.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.807 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 3.6 t90 -106.18 106.9 17.64 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.503 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -78.32 73.38 4.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.471 0.653 . . . . 0.0 110.892 -175.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 99.5 t -139.92 128.25 26.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.216 176.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.3 m -105.76 -7.26 18.46 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.125 0.488 . . . . 0.0 111.202 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -123.15 117.31 28.3 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.269 -176.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -62.75 -22.37 73.84 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.507 2.138 . . . . 0.0 111.685 175.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -70.83 -21.05 62.5 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.692 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -98.5 20.0 13.54 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.811 -173.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.436 HD11 HD11 ' A' ' 124' ' ' ILE . 70.7 mt -75.99 113.21 14.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 174.508 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -144.75 -173.28 4.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.502 -175.304 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 33.7 mtp-105 -65.37 -36.6 84.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.25 -177.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -69.73 -43.75 71.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.785 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.1 p -73.67 -28.57 61.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.345 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.419 HD12 HD11 ' A' ' 86' ' ' LEU . 84.7 mt -89.13 14.99 9.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.523 179.277 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -54.76 -37.05 65.5 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.101 0.477 . . . . 0.0 110.605 178.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.615 ' HE ' ' HA ' ' A' ' 60' ' ' ARG . 1.0 OUTLIER -63.76 -30.03 71.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.611 -179.284 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.2 t -74.38 -37.88 45.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.241 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -61.37 -36.92 81.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.535 176.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -55.13 -58.72 6.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.389 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.402 ' OD1' ' HB3' ' A' ' 67' ' ' ALA . 8.5 t-20 -96.13 18.23 14.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.126 -172.256 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.19 -22.47 61.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.971 0.415 . . . . 0.0 111.814 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -69.93 -15.74 63.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 178.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.402 ' HB3' ' OD1' ' A' ' 64' ' ' ASN . . . -118.77 4.61 11.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.668 178.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.2 mt -116.5 111.13 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.221 0.534 . . . . 0.0 110.517 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.911 ' HB2' ' HD3' ' A' ' 118' ' ' ARG . 12.2 t70 -95.62 -55.71 2.93 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.364 177.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.0 m -110.82 130.97 55.43 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.166 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.535 HD23 HD12 ' A' ' 97' ' ' LEU . 62.7 tp -119.36 114.37 22.24 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.883 0.373 . . . . 0.0 110.384 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 72.9 mt -95.81 121.97 46.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.006 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 96.2 t -106.42 121.89 59.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.719 0.295 . . . . 0.0 110.57 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -101.36 91.31 0.92 Allowed Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.827 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.431 HG21 ' H ' ' A' ' 80' ' ' TRP . 3.6 t -79.09 130.09 35.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.154 0.502 . . . . 0.0 110.775 -178.396 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -96.48 161.23 22.14 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.71 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.536 ' H ' HG12 ' A' ' 126' ' ' VAL . . . 75.86 -43.51 0.48 Allowed 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.187 0.995 . . . . 0.0 111.322 178.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -163.26 -175.28 4.19 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 42.3 t -97.96 102.76 13.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.831 0.348 . . . . 0.0 110.58 -177.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.431 ' H ' HG21 ' A' ' 75' ' ' THR . 85.8 t90 -88.03 123.18 32.46 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 174.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.1 mp -96.14 121.24 46.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.075 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.407 ' HA ' ' HD3' ' A' ' 83' ' ' PRO . . . -64.74 127.24 92.33 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.583 177.402 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 82' ' ' ALA . 53.1 Cg_exo -55.66 154.86 23.83 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.187 2.591 . . . . 0.0 111.989 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.1 ptt85 -62.47 -38.9 91.64 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.03 -174.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -59.09 -46.12 89.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.777 0.322 . . . . 0.0 111.271 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.419 HD11 HD12 ' A' ' 58' ' ' LEU . 66.6 tp -63.8 -39.35 94.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.204 0.526 . . . . 0.0 110.11 178.559 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 87' ' ' ARG . 12.8 ttm180 -70.72 -44.15 67.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.994 -177.51 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -68.1 -30.83 70.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.052 -178.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.55 -48.79 71.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.057 0.456 . . . . 0.0 110.287 176.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.9 mt -67.44 -38.47 84.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.622 177.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.431 ' HD2' ' HA ' ' A' ' 91' ' ' ARG . 8.5 tpt180 -63.94 -26.3 68.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.639 179.287 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -63.92 -24.46 68.45 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.963 -0.637 . . . . 0.0 111.858 175.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.439 ' HB ' HG23 ' A' ' 95' ' ' VAL . 4.4 t -99.09 7.13 8.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.306 0.574 . . . . 0.0 109.541 176.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 68.73 20.24 8.22 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.56 -178.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.439 HG23 ' HB ' ' A' ' 93' ' ' VAL . 53.6 t -84.15 106.85 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 175.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.3 t -83.6 90.87 2.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.567 -177.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.535 HD12 HD23 ' A' ' 71' ' ' LEU . 9.9 tt -84.13 126.68 33.33 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.911 177.235 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -133.8 126.32 30.34 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 176.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.7 t -110.49 138.1 47.32 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.124 0.488 . . . . 0.0 111.551 -173.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.5 pmm? -154.53 177.9 10.68 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 176.08 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -61.63 148.86 41.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.571 0.225 . . . . 0.0 110.748 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -51.66 -40.11 59.42 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -175.708 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -57.66 -67.1 2.38 Favored Glycine 0 CA--C 1.523 0.552 0 C-N-CA 121.181 -0.533 . . . . 0.0 112.837 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.43 -30.69 64.92 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.799 2.332 . . . . 0.0 112.929 176.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.25 -48.28 80.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.697 0.284 . . . . 0.0 111.097 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.5 HG23 HD12 ' A' ' 16' ' ' ILE . 76.5 mt -61.23 -39.08 81.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-O 121.361 0.601 . . . . 0.0 110.175 177.666 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -60.81 -57.9 10.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.049 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 83.5 m -60.59 -36.83 79.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.395 -178.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -61.96 -43.24 99.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.815 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -61.01 -39.71 90.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.756 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 74.4 mt -65.17 -43.69 95.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.903 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.571 ' HA ' ' CE ' ' A' ' 112' ' ' MET . 10.4 mmt -66.76 -43.42 84.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.322 -179.17 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 37.3 mm -64.65 -33.24 61.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.11 0.481 . . . . 0.0 110.283 177.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -84.69 16.7 34.64 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.422 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -121.63 -61.06 1.55 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.72 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -140.42 -102.66 0.15 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.093 0.473 . . . . 0.0 111.322 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 176.73 -161.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -175.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.911 ' HD3' ' HB2' ' A' ' 69' ' ' ASP . 15.4 ttt-85 65.69 25.88 11.48 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.477 0.656 . . . . 0.0 109.807 178.514 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.426 HG11 ' HB3' ' A' ' 112' ' ' MET . 7.2 p -128.06 139.86 50.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.551 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.437 ' HB1' HD23 ' A' ' 38' ' ' LEU . . . -130.78 156.89 44.22 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.465 -178.322 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.429 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -129.04 121.32 27.65 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.05 0.453 . . . . 0.0 111.443 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -100.45 95.97 7.09 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 173.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 86.0 mt -103.18 130.62 50.42 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 -172.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.436 HD11 HD11 ' A' ' 53' ' ' ILE . 56.7 mt -113.56 133.98 57.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.195 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.03 154.86 40.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.223 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.536 HG12 ' H ' ' A' ' 77' ' ' ALA . 15.3 m . . . . . 0 C--N 1.321 -0.638 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.492 -177.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.482 ' HZ ' ' HG3' ' A' ' 29' ' ' MET . 89.7 m-85 . . . . . 0 N--CA 1.455 -0.192 0 CA-C-O 120.576 0.227 . . . . 0.0 110.577 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -79.34 70.56 7.45 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.582 2.188 . . . . 0.0 112.3 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? 62.76 96.86 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.863 -178.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.2 t -139.36 138.42 36.6 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.023 175.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -146.66 19.69 1.31 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.988 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.52 102.11 14.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.695 -177.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 70.6 mt -102.8 111.72 33.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.563 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -75.65 -44.56 41.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.649 -177.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -162.31 168.29 22.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.616 179.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -149.14 157.68 43.58 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 175.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 154.89 -115.54 0.67 Allowed Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.154 -1.022 . . . . 0.0 112.699 176.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -69.68 104.55 2.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.905 0.384 . . . . 0.0 110.162 -176.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.458 ' O ' ' HA ' ' A' ' 31' ' ' HIS . . . 110.7 -9.05 30.08 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.043 176.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.24 -144.27 18.0 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.301 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -95.81 149.23 21.75 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.189 0.519 . . . . 0.0 111.408 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -119.05 105.74 11.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.107 176.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -142.15 177.14 8.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.415 -177.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.05 127.23 31.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.984 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.45 -67.06 0.25 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.256 178.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.482 ' HG3' ' HZ ' ' A' ' 10' ' ' PHE . 64.1 mtt -124.65 163.18 22.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.199 0.523 . . . . 0.0 111.104 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.8 m -154.27 173.13 16.56 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 176.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.458 ' HA ' ' O ' ' A' ' 22' ' ' GLY . 40.6 t-80 68.05 26.0 7.39 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.634 0.73 . . . . 0.0 110.187 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.447 ' HB3' HD21 ' A' ' 35' ' ' LEU . 16.6 mm-40 -101.11 124.3 46.6 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.351 177.261 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.44 -57.68 2.3 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.75 -174.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.0 m -114.73 119.97 38.49 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.11 0.481 . . . . 0.0 110.303 -177.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.447 HD21 ' HB3' ' A' ' 32' ' ' GLN . 96.4 mt -129.15 145.71 51.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.114 0.483 . . . . 0.0 111.535 -175.59 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.762 ' HB2' ' HB2' ' A' ' 45' ' ' TRP . 1.6 tt -110.28 101.16 9.92 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 175.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -80.54 112.34 17.8 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.46 -178.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.531 HD12 ' CD1' ' A' ' 43' ' ' TRP . 65.8 mt -104.57 155.85 36.77 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 109.695 -0.484 . . . . 0.0 109.695 176.447 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -61.4 -11.54 20.08 Favored 'Trans proline' 0 CA--C 1.532 0.382 0 C-N-CA 122.946 2.43 . . . . 0.0 113.581 -177.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -103.32 -39.21 6.9 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.766 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -164.12 168.44 19.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.042 0.448 . . . . 0.0 111.023 -176.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.5 t -93.79 122.34 45.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.657 177.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.531 ' CD1' HD12 ' A' ' 38' ' ' LEU . 62.2 m95 -109.78 150.99 27.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.887 0.375 . . . . 0.0 110.655 -178.497 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.01 125.42 6.86 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.446 178.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.762 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 23.2 t90 -127.1 85.85 2.42 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -177.068 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -76.82 80.22 3.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.358 0.599 . . . . 0.0 111.636 -170.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.5 t -131.37 107.52 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.01 173.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.7 m -81.55 -31.39 32.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.03 -173.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 50' ' ' PRO . 47.9 mttm -100.9 124.32 42.3 Favored Pre-proline 0 C--N 1.326 -0.437 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -178.033 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 49' ' ' LYS . 34.4 Cg_endo -66.78 -19.22 53.3 Favored 'Trans proline' 0 CA--C 1.527 0.157 0 C-N-CA 122.293 1.996 . . . . 0.0 110.864 171.585 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -79.39 -12.37 59.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.102 -0.953 . . . . 0.0 110.081 178.144 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 52' ' ' GLN . 33.6 tt0 -97.85 16.22 21.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.761 -171.698 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 65.0 mt -83.13 114.77 24.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.135 0.493 . . . . 0.0 111.084 -177.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.414 ' CG ' ' H ' ' A' ' 55' ' ' ARG . 21.2 t70 -146.51 -169.63 3.32 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 55' ' ' ARG . 7.4 mmm180 -56.06 -38.35 70.51 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.959 0.409 . . . . 0.0 110.844 177.229 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -58.4 -38.41 77.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.946 178.197 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.18 -36.82 22.56 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.099 -177.024 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.516 HD13 HD21 ' A' ' 90' ' ' LEU . 87.7 mt -97.46 15.36 23.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.528 -175.522 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -60.06 -42.13 93.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.155 0.502 . . . . 0.0 110.009 -179.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -68.01 -28.91 67.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.726 177.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.446 HG21 HD22 ' A' ' 58' ' ' LEU . 84.1 t -68.59 -49.69 62.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.634 -178.676 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -63.93 -36.11 82.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.093 0.473 . . . . 0.0 110.535 177.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.66 -33.41 75.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.624 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -108.55 13.05 25.6 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.356 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.86 -14.74 62.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.141 0.496 . . . . 0.0 111.11 -178.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -67.71 -15.73 63.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.99 177.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -117.56 13.31 14.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.121 0.486 . . . . 0.0 110.512 178.282 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.6 mt -121.0 143.14 34.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.035 -175.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.403 ' N ' ' HG2' ' A' ' 118' ' ' ARG . 13.1 t70 -123.75 -53.36 1.77 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.284 171.234 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.488 ' HA ' ' HB ' ' A' ' 96' ' ' VAL . 27.8 m -108.78 126.39 52.98 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.076 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.472 HD22 ' HB3' ' A' ' 120' ' ' ALA . 0.8 OUTLIER -110.24 112.55 24.59 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.534 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.489 ' HA ' ' O ' ' A' ' 98' ' ' ASP . 64.2 mt -100.04 128.57 51.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.157 -179.368 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.435 ' HB ' HG23 ' A' ' 99' ' ' THR . 39.0 t -116.81 120.06 63.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.514 -179.464 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -100.42 93.59 1.22 Allowed Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 176.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.604 HG21 ' HB3' ' A' ' 80' ' ' TRP . 22.4 p -82.89 55.26 3.0 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.14 0.495 . . . . 0.0 112.062 -173.103 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 77.47 -140.54 24.55 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.324 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.64 7.6 45.18 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.187 0.518 . . . . 0.0 110.701 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -127.4 163.38 24.16 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.885 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.659 HG13 ' HA ' ' A' ' 100' ' ' MET . 41.4 t -103.59 98.95 7.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.011 0.434 . . . . 0.0 109.861 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.604 ' HB3' HG21 ' A' ' 75' ' ' THR . 66.7 t90 -86.7 124.61 33.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.622 -176.536 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 68.7 mt -89.01 111.63 23.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.568 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.63 133.1 91.47 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.304 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -63.22 156.32 56.22 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.04 2.493 . . . . 0.0 112.094 178.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -52.46 -38.22 58.81 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.659 -178.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -51.47 -58.68 5.6 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.145 0.498 . . . . 0.0 111.151 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.468 HD11 HD12 ' A' ' 58' ' ' LEU . 37.6 tp -71.23 -40.9 70.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.804 -178.026 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -61.04 -44.87 96.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.31 -177.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -66.39 -39.33 88.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.47 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.58 -45.11 92.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.879 178.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.516 HD21 HD13 ' A' ' 58' ' ' LEU . 87.4 mt -70.11 -49.33 51.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.604 -179.359 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -74.3 -10.72 59.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.876 0.37 . . . . 0.0 111.0 -174.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.15 -26.11 70.14 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.044 -0.598 . . . . 0.0 111.84 174.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.687 ' HB ' HG23 ' A' ' 95' ' ' VAL . 6.3 t -97.87 7.64 8.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-O 121.507 0.67 . . . . 0.0 109.388 176.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.1 t30 66.62 23.92 10.22 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.359 -178.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.687 HG23 ' HB ' ' A' ' 93' ' ' VAL . 60.7 t -73.5 119.81 21.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.678 176.532 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.488 ' HB ' ' HA ' ' A' ' 70' ' ' THR . 46.3 t -71.75 110.31 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.577 -178.579 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 61.3 tp -91.63 114.48 27.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.559 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.489 ' O ' ' HA ' ' A' ' 72' ' ' ILE . 17.4 t70 -119.96 101.45 7.87 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.585 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.435 HG23 ' HB ' ' A' ' 73' ' ' VAL . 17.7 m -113.27 136.44 52.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.099 -176.022 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.659 ' HA ' HG13 ' A' ' 79' ' ' VAL . 22.7 ptp -166.63 -172.34 2.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.701 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -69.94 147.47 50.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.053 176.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.514 ' O ' HG13 ' A' ' 106' ' ' ILE . 81.6 m -53.45 -44.26 68.74 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.343 0.498 . . . . 0.0 112.343 -177.079 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -52.72 -66.61 2.56 Favored Glycine 0 CA--C 1.525 0.707 0 C-N-CA 121.156 -0.545 . . . . 0.0 113.038 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.6 -33.88 88.35 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.641 2.227 . . . . 0.0 112.521 175.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.05 -41.78 99.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.923 179.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.514 HG13 ' O ' ' A' ' 102' ' ' THR . 78.6 mt -59.23 -49.42 83.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.532 177.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 107' ' ' ARG . 67.1 mtt-85 -59.3 -48.03 83.15 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.817 0.341 . . . . 0.0 110.621 178.356 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 36.8 m -61.92 -49.44 76.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.32 -178.115 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -61.44 -44.9 96.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.673 -0.239 . . . . 0.0 110.98 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -56.25 -40.97 75.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.148 -178.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 69.1 mt -75.81 -44.41 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.639 178.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 76.8 mmm -60.21 -47.3 86.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.818 -178.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' A' ' 117' ' ' ARG . 11.4 tp -71.79 -22.95 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.995 0.426 . . . . 0.0 110.601 -177.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.08 -33.07 41.92 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.36 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -101.87 -68.86 0.8 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -177.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -85.75 -36.33 20.22 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -171.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.529 ' HA ' HD12 ' A' ' 113' ' ' ILE . 98.7 mtt180 66.11 -164.03 0.24 Allowed 'General case' 0 N--CA 1.463 0.203 0 O-C-N 123.611 0.569 . . . . 0.0 110.237 -175.139 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.403 ' HG2' ' N ' ' A' ' 69' ' ' ASP . 58.5 ttt180 56.95 32.4 21.5 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 122.386 1.089 . . . . 0.0 110.162 -178.564 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.01 133.71 68.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 114.836 -1.074 . . . . 0.0 109.544 178.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.472 ' HB3' HD22 ' A' ' 71' ' ' LEU . . . -116.95 136.72 52.73 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.944 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -119.47 114.74 22.75 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.083 0.468 . . . . 0.0 111.625 -176.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -95.71 99.21 11.08 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 174.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 85.8 mt -108.6 130.95 55.31 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.941 -174.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 63.0 mt -116.58 119.56 62.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.11 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -79.27 172.81 13.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.84 0.353 . . . . 0.0 110.983 178.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 28.1 m . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.439 -178.04 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.461 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 91.9 m-85 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 10' ' ' PHE . 11.5 Cg_exo -71.22 56.83 2.1 Favored 'Trans proline' 0 N--CA 1.474 0.379 0 C-N-CA 123.712 2.942 . . . . 0.0 114.06 -171.255 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 71.6 mtt180 49.08 65.93 1.24 Allowed 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 123.092 0.557 . . . . 0.0 112.036 176.392 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.555 HG21 ' HB2' ' A' ' 26' ' ' PHE . 23.5 m -90.19 103.36 16.05 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.336 -179.456 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -106.94 10.67 30.43 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.09 178.063 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -120.73 104.94 10.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.543 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 72.0 mt -99.94 133.95 41.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 176.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.28 -36.33 10.93 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.746 0.308 . . . . 0.0 111.648 -176.618 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.435 ' HB3' ' HB3' ' A' ' 25' ' ' TYR . . . -142.16 123.61 14.88 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -177.426 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.7 p90 -105.88 120.2 41.14 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 169.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.22 -150.76 19.79 Favored Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 109.963 -1.255 . . . . 0.0 109.963 -171.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt 68.96 -61.92 0.41 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 122.831 0.452 . . . . 0.0 111.321 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -142.62 8.91 2.33 Favored Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 174.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.486 ' HA3' ' HA ' ' A' ' 32' ' ' GLN . . . 131.13 -107.62 0.76 Allowed Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.349 -0.701 . . . . 0.0 111.349 -177.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -128.18 126.87 41.88 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 173.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.435 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 29.0 t80 -111.7 103.43 11.72 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.252 0.548 . . . . 0.0 109.858 174.415 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.555 ' HB2' HG21 ' A' ' 13' ' ' THR . 33.6 p90 -120.24 177.17 5.12 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 176.397 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.68 102.32 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.056 0.455 . . . . 0.0 110.981 177.065 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.2 -103.08 0.3 Allowed Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.402 -174.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 48.8 ttm -147.77 157.73 43.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.938 0.369 . . . . 0.0 110.311 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.45 126.58 29.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.067 0.461 . . . . 0.0 111.197 177.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 63.0 t-80 -140.91 112.42 7.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.172 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.486 ' HA ' ' HA3' ' A' ' 23' ' ' GLY . 13.9 pt20 -70.7 166.68 20.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.611 0.243 . . . . 0.0 110.615 177.378 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 116.41 -127.56 7.55 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.77 -0.728 . . . . 0.0 111.807 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.453 ' OG ' ' HB3' ' A' ' 45' ' ' TRP . 13.8 p -147.99 155.49 41.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.745 0.307 . . . . 0.0 110.523 178.75 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 96.3 mt -135.06 151.66 50.96 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.823 -178.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.1 mt -111.48 102.08 10.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.124 178.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 109' ' ' TYR . 93.5 m-85 -91.85 96.48 10.42 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.118 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.57 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 56.3 mt -84.74 162.49 50.05 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -179.51 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.57 ' HD2' ' HB3' ' A' ' 38' ' ' LEU . 30.0 Cg_endo -64.89 -11.21 28.39 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.367 2.044 . . . . 0.0 113.168 -178.202 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.504 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 35.0 t70 -113.35 -54.6 2.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.492 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -138.3 167.27 22.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.782 0.325 . . . . 0.0 110.92 -177.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.457 ' HB ' ' HB2' ' A' ' 10' ' ' PHE . 50.3 t -102.0 142.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.262 -179.063 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -131.81 164.71 25.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.191 177.066 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.49 146.9 18.35 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.479 176.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.453 ' HB3' ' OG ' ' A' ' 34' ' ' SER . 2.1 t90 -111.77 153.42 26.55 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -106.48 19.87 19.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.292 0.567 . . . . 0.0 111.047 -173.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.532 HG13 ' HB2' ' A' ' 52' ' ' GLN . 56.0 t -99.64 135.6 34.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.456 -176.147 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.9 m -113.51 -43.74 3.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.093 0.473 . . . . 0.0 110.506 177.132 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.421 ' HB2' ' HG3' ' A' ' 52' ' ' GLN . 44.3 mtpt -99.96 142.51 24.76 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.665 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -57.08 -29.73 84.19 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.694 2.263 . . . . 0.0 112.111 175.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -64.46 -24.63 67.69 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.154 176.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.532 ' HB2' HG13 ' A' ' 47' ' ' VAL . 98.5 mt-30 -81.83 4.25 22.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.621 -174.64 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 71.7 mt -73.38 95.58 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 173.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.495 ' H ' ' HB2' ' A' ' 57' ' ' SER . 15.9 t70 -123.08 163.98 19.49 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.649 -174.256 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -58.37 -34.54 70.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.37 . . . . 0.0 110.934 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -86.61 -14.65 42.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.222 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.495 ' HB2' ' H ' ' A' ' 54' ' ' ASP . 17.4 m -79.26 -28.58 42.39 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 170.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.5 mt -92.23 24.38 3.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.946 175.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -54.85 -47.77 73.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.716 -175.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' A' ' 60' ' ' ARG . 43.1 ttm180 -71.36 -20.99 62.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.107 0.48 . . . . 0.0 110.442 -178.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 99.9 t -73.15 -38.8 55.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.806 176.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -75.16 -22.18 58.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.757 176.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.47 -49.17 72.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.317 0.579 . . . . 0.0 109.709 174.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.497 ' HB3' ' HB3' ' A' ' 67' ' ' ALA . 19.8 m120 -100.93 40.59 1.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.9 175.389 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.03 -60.72 2.27 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -171.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -86.67 1.97 50.13 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.177 0.513 . . . . 0.0 110.946 -173.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.497 ' HB3' ' HB3' ' A' ' 64' ' ' ASN . . . -85.5 -23.93 27.55 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 171.63 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.456 HD11 HD22 ' A' ' 38' ' ' LEU . 69.0 mt -102.21 85.97 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.022 173.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.423 ' HB3' ' HG2' ' A' ' 118' ' ' ARG . 12.9 t70 -74.66 -42.43 58.51 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.207 0.527 . . . . 0.0 110.203 -176.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 77.4 m -114.98 127.26 55.57 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.915 174.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.6 tp -117.22 111.12 18.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.015 0.436 . . . . 0.0 110.224 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 59.4 mt -98.08 124.58 51.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.718 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 66.9 t -111.67 126.46 69.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.62 0.248 . . . . 0.0 110.822 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -103.47 103.22 2.31 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 175.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.2 p -68.87 -41.75 77.94 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -172.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.465 ' HA2' HG22 ' A' ' 126' ' ' VAL . . . 91.92 115.02 2.06 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.585 -0.817 . . . . 0.0 113.303 177.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 79.21 -47.22 0.39 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.108 0.963 . . . . 0.0 111.643 173.136 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -138.72 156.95 46.96 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.788 -178.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.0 t -90.31 99.06 8.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.938 0.399 . . . . 0.0 110.719 -178.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -76.0 130.9 39.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.9 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 6.7 tp -88.43 125.53 41.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.149 0.5 . . . . 0.0 110.734 -177.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.441 ' HA ' ' HD3' ' A' ' 83' ' ' PRO . . . -79.77 129.35 71.26 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.453 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 82' ' ' ALA . 51.4 Cg_exo -55.82 148.05 58.31 Favored 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 123.003 2.468 . . . . 0.0 112.508 179.258 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 84' ' ' ARG . 42.8 mtm180 -60.79 -37.64 82.59 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.904 -176.534 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.5 ' HA ' ' OE1' ' A' ' 85' ' ' GLN . 11.8 mm-40 -66.41 -32.47 73.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.772 0.32 . . . . 0.0 111.143 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.0 tp -69.13 -43.97 73.31 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 87' ' ' ARG . 41.8 ttm180 -66.31 -42.26 88.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.538 177.253 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -56.11 -45.21 79.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.207 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.481 ' O ' HG23 ' A' ' 93' ' ' VAL . . . -67.7 -46.67 71.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.278 -179.59 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.475 HD12 HD22 ' A' ' 97' ' ' LEU . 84.8 mt -62.53 -40.28 96.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.139 -179.221 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 91' ' ' ARG . 33.4 ttp180 -69.63 -27.24 64.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.02 0.438 . . . . 0.0 109.921 178.089 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -69.56 -30.51 70.95 Favored Glycine 0 C--N 1.331 0.274 0 N-CA-C 111.605 -0.598 . . . . 0.0 111.605 175.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 89' ' ' ALA . 21.2 t -82.34 -6.45 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 174.52 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 64.2 t30 69.86 33.89 2.73 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.572 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 70.1 t -98.51 120.93 48.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.808 175.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 49.6 t -77.15 100.87 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.866 0.365 . . . . 0.0 110.247 -179.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.475 HD22 HD12 ' A' ' 90' ' ' LEU . 45.9 tp -86.54 134.73 33.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.451 179.092 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -139.13 116.56 11.26 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 174.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.4 p -100.6 120.31 39.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.408 -177.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 72.8 mtm -140.33 -173.18 3.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.272 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -79.74 160.61 26.16 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.772 173.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.532 ' O ' HG13 ' A' ' 106' ' ' ILE . 3.2 m -59.71 -43.16 94.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.15 -173.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.69 -64.19 4.63 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 121.455 -0.403 . . . . 0.0 113.575 -177.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.39 -31.82 86.63 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.668 2.246 . . . . 0.0 112.714 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.42 -47.06 77.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.119 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 102' ' ' THR . 78.4 mt -58.12 -47.04 88.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 121.014 0.435 . . . . 0.0 110.79 179.364 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.418 ' O ' HG13 ' A' ' 111' ' ' ILE . 66.4 ttt180 -63.28 -47.23 83.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.926 -176.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 26.9 m -63.61 -38.13 89.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -178.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 37' ' ' PHE . 72.3 t80 -58.53 -51.63 69.05 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.652 177.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -60.54 -41.97 95.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.193 -178.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 107' ' ' ARG . 81.9 mt -60.97 -44.83 98.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.13 -179.341 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 22.6 mmt -71.64 -40.44 69.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.406 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.451 HD13 ' HA ' ' A' ' 117' ' ' ARG . 28.5 mm -62.67 -31.42 52.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-O 120.98 0.419 . . . . 0.0 110.927 178.74 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -81.79 7.08 63.45 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.544 178.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -131.41 -81.07 0.52 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 117.055 0.428 . . . . 0.0 110.894 -178.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -107.22 -17.93 14.02 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -174.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.451 ' HA ' HD13 ' A' ' 113' ' ' ILE . 44.0 mtp85 60.14 -136.79 0.69 Allowed 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -173.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.423 ' HG2' ' HB3' ' A' ' 69' ' ' ASP . 73.3 ttt180 64.31 22.16 12.71 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 122.271 1.034 . . . . 0.0 110.591 174.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 9.7 p -137.31 144.79 30.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.869 -176.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.438 ' HB2' ' HD3' ' A' ' 39' ' ' PRO . . . -128.52 152.42 48.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.427 177.732 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -124.35 121.43 34.95 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.003 0.43 . . . . 0.0 111.246 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -99.72 102.46 13.93 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 174.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 85.1 mt -110.24 124.36 51.47 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.695 -171.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 55.0 mt -100.57 141.84 16.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.338 173.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.61 130.32 42.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.891 0.377 . . . . 0.0 111.269 -178.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.465 HG22 ' HA2' ' A' ' 76' ' ' GLY . 46.7 t . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.282 177.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.579 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 73.4 m-85 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.579 ' HD2' ' HB3' ' A' ' 10' ' ' PHE . 2.0 Cg_endo -46.14 -40.47 21.29 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 123.024 2.483 . . . . 0.0 111.92 176.493 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 31.6 ttt180 61.16 86.13 0.11 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.377 172.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.9 t -144.49 147.02 32.75 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.578 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.508 ' HB1' ' HA ' ' A' ' 110' ' ' ASN . . . -100.41 10.08 41.71 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.877 177.503 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.84 102.57 10.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.954 -178.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.455 HD12 HG12 ' A' ' 106' ' ' ILE . 58.3 mt -94.03 100.12 10.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 174.685 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -79.55 -34.06 41.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.899 -171.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.3 89.43 3.13 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.093 0.473 . . . . 0.0 111.515 -176.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.471 ' OH ' HG23 ' A' ' 126' ' ' VAL . 31.7 t80 -127.9 103.0 7.02 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.24 0.543 . . . . 0.0 109.897 173.492 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -173.11 38.55 0.14 Allowed Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 110.301 -1.12 . . . . 0.0 110.301 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.564 ' HG2' ' H ' ' A' ' 22' ' ' GLY . 54.3 tttm -154.05 177.53 10.96 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -174.68 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.564 ' H ' ' HG2' ' A' ' 21' ' ' LYS . . . -74.31 66.52 1.91 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.667 -0.777 . . . . 0.0 111.864 176.209 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 148.11 166.45 12.75 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 121.25 -0.5 . . . . 0.0 111.916 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.403 ' O ' ' HA ' ' A' ' 30' ' ' SER . 81.3 m-85 -95.92 117.65 31.03 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 179.208 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -98.83 110.65 23.22 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.336 0.589 . . . . 0.0 110.203 177.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -133.66 177.42 7.72 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.214 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.55 99.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.023 0.44 . . . . 0.0 111.03 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 141.27 -78.1 0.29 Allowed Glycine 0 N--CA 1.444 -0.787 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.517 -178.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 22.5 ptp -147.93 167.85 23.78 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.767 0.318 . . . . 0.0 110.641 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 24' ' ' PHE . 5.2 p -96.03 103.52 15.41 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 171.675 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -84.11 110.31 18.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.491 -174.222 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -79.53 112.36 16.71 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 173.025 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 132.17 -153.66 20.66 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.144 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.531 ' HB3' ' HE3' ' A' ' 45' ' ' TRP . 15.3 m -101.27 154.29 18.9 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.886 0.374 . . . . 0.0 111.382 -177.283 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.419 HD23 ' HA2' ' A' ' 44' ' ' GLY . 50.5 mt -135.09 147.56 49.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.016 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.864 ' HG ' ' HB2' ' A' ' 45' ' ' TRP . 63.1 mt -110.66 99.03 8.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.094 176.147 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.535 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 86.8 m-85 -81.19 90.43 6.07 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 177.003 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.482 HD22 HD11 ' A' ' 68' ' ' ILE . 66.5 mt -98.7 157.1 34.82 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.162 -176.226 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -52.83 -29.58 43.61 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.573 2.182 . . . . 0.0 112.038 173.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -63.47 -66.03 0.6 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.181 173.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -169.37 -175.09 2.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.021 -178.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.1 t -89.93 100.73 11.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.222 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -100.03 161.81 13.37 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.642 -177.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.419 ' HA2' HD23 ' A' ' 35' ' ' LEU . . . -82.56 154.81 33.14 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.789 178.226 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.864 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 15.0 t90 -141.45 150.15 41.92 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -89.36 -152.93 0.25 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 53.5 t 66.68 88.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.172 0.51 . . . . 0.0 111.132 177.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 p -86.25 -27.53 24.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.966 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -105.64 122.21 43.41 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 173.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.462 ' HG2' ' OE2' ' A' ' 51' ' ' GLU . 6.9 Cg_endo -51.01 -32.9 40.41 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 123.381 2.72 . . . . 0.0 113.243 -177.652 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.462 ' OE2' ' HG2' ' A' ' 50' ' ' PRO . 1.9 mp0 -71.21 84.65 0.75 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.895 0.378 . . . . 0.0 110.353 176.6 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 178.22 -32.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.026 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 70.6 mt -44.48 107.99 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 O-C-N 124.077 0.86 . . . . 0.0 111.867 -176.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.429 ' H ' ' HB2' ' A' ' 57' ' ' SER . 2.5 p-10 -141.34 -170.97 3.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.66 -177.704 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -65.5 -34.23 77.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.287 -177.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.631 ' HA ' ' HG2' ' A' ' 59' ' ' GLN . 56.9 m-85 -74.19 -42.47 59.8 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.858 0.361 . . . . 0.0 110.686 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.429 ' HB2' ' H ' ' A' ' 54' ' ' ASP . 42.5 m -65.73 -21.28 66.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.923 0.392 . . . . 0.0 110.879 178.455 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 99.3 mt -105.22 15.86 26.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.365 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.631 ' HG2' ' HA ' ' A' ' 56' ' ' TYR . 66.0 mm-40 -65.15 -28.5 69.46 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 122.302 -0.249 . . . . 0.0 111.661 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -69.92 -25.8 63.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.175 0.512 . . . . 0.0 109.997 173.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 61.2 t -78.03 -43.54 28.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.713 175.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.457 ' HA ' ' HB2' ' A' ' 65' ' ' ALA . 40.7 m-85 -59.49 -29.65 67.98 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.231 176.37 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -55.38 -55.49 30.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.57 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -110.22 32.18 5.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.682 -178.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.457 ' HB2' ' HA ' ' A' ' 62' ' ' PHE . . . -69.97 -9.57 55.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.613 -177.14 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -71.61 -22.56 61.69 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.429 ' O ' ' HA ' ' A' ' 118' ' ' ARG . . . -103.41 3.48 35.12 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.07 0.462 . . . . 0.0 110.569 177.527 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.482 HD11 HD22 ' A' ' 38' ' ' LEU . 64.0 mt -114.1 105.09 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.767 -176.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -95.88 -33.54 12.17 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.358 0.599 . . . . 0.0 109.908 176.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.1 m -123.88 129.99 51.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.577 177.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.511 HD23 HD12 ' A' ' 97' ' ' LEU . 61.1 tp -118.66 105.71 11.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.037 178.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 51.2 mt -91.69 117.96 36.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.655 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.8 t -105.18 116.06 48.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 120.963 0.411 . . . . 0.0 110.647 -178.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -97.04 101.23 2.57 Favored Glycine 0 N--CA 1.442 -0.903 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 176.601 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.583 HG21 ' HB3' ' A' ' 80' ' ' TRP . 17.0 p -82.27 10.53 6.76 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.119 0.485 . . . . 0.0 111.984 -173.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.492 ' HA2' HG22 ' A' ' 126' ' ' VAL . . . 117.99 -137.89 13.48 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.99 178.529 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -88.37 -21.12 24.5 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.268 0.556 . . . . 0.0 109.905 177.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -113.15 151.38 30.96 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.419 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 91.3 t -95.07 110.35 23.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.857 0.36 . . . . 0.0 110.915 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.583 ' HB3' HG21 ' A' ' 75' ' ' THR . 54.2 t90 -75.49 137.79 41.15 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 171.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 61.8 mt -87.17 106.86 16.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.988 0.423 . . . . 0.0 110.395 -174.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.403 ' HA ' ' HD2' ' A' ' 83' ' ' PRO . . . -74.32 127.65 87.35 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.356 177.592 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 82' ' ' ALA . 15.0 Cg_endo -57.81 139.96 92.07 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.797 2.331 . . . . 0.0 111.837 178.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.7 mtp-105 -68.62 -13.85 62.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.852 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -62.94 -52.17 64.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.296 177.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.9 tp -70.26 -38.43 75.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.772 178.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -62.78 -43.33 99.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.631 -178.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.474 ' HA ' ' OE1' ' A' ' 88' ' ' GLU . 1.7 tp10 -70.87 -30.93 67.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.009 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.06 -43.19 93.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.362 176.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 42.9 mt -67.52 -36.31 80.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.353 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 91' ' ' ARG . 0.9 OUTLIER -68.94 -28.04 66.29 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 177.415 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -61.87 -34.71 89.72 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.489 174.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.525 ' O ' ' HB2' ' A' ' 94' ' ' ASN . 39.0 t -72.45 -80.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 172.204 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.525 ' HB2' ' O ' ' A' ' 93' ' ' VAL . 9.4 t30 171.02 30.02 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 114.981 -1.009 . . . . 0.0 108.947 174.681 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 42.2 t -118.7 108.69 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.515 -174.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.2 t -85.28 100.71 8.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.318 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.511 HD12 HD23 ' A' ' 71' ' ' LEU . 9.6 tt -88.13 125.79 34.78 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.846 178.586 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -134.5 134.47 41.51 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 177.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.1 p -97.54 126.77 43.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.827 -174.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.423 ' O ' ' HA2' ' A' ' 74' ' ' GLY . 88.6 mtp -142.55 -175.59 4.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.792 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.484 ' HB2' ' HD2' ' A' ' 104' ' ' PRO . 21.2 mp0 -78.95 157.99 28.08 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 174.632 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.565 ' O ' HG13 ' A' ' 106' ' ' ILE . 6.5 p -61.64 -45.63 93.25 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -178.222 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -54.11 -63.97 4.69 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 121.526 -0.369 . . . . 0.0 113.321 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.484 ' HD2' ' HB2' ' A' ' 101' ' ' GLN . 52.1 Cg_exo -55.0 -35.1 89.23 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.781 2.321 . . . . 0.0 112.7 177.313 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.62 -41.36 98.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.786 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.565 HG13 ' O ' ' A' ' 102' ' ' THR . 82.7 mt -59.81 -44.87 95.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.184 176.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 54.4 ttp85 -59.87 -55.6 32.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.093 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.467 ' O ' ' HG3' ' A' ' 112' ' ' MET . 62.7 m -60.78 -44.75 96.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.287 -177.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -61.44 -42.88 99.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.791 0.329 . . . . 0.0 110.56 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.508 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 27.0 t-20 -55.09 -50.66 68.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.756 178.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.34 -43.34 87.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.277 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.467 ' HG3' ' O ' ' A' ' 108' ' ' THR . 83.9 mtp -64.64 -36.34 83.94 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -175.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.404 HD13 ' HA ' ' A' ' 113' ' ' ILE . 26.5 mm -64.31 -46.36 93.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.787 0.327 . . . . 0.0 110.376 176.312 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -68.71 -19.39 73.12 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.961 -0.637 . . . . 0.0 111.974 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -74.49 -72.03 0.31 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 116' ' ' ARG . 35.0 ttp180 -161.75 18.71 0.11 Allowed 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 120.782 0.325 . . . . 0.0 111.359 -178.509 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 42.6 mtt85 61.1 -142.11 0.5 Allowed 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.802 177.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.429 ' HA ' ' O ' ' A' ' 67' ' ' ALA . 48.0 mtp180 66.36 23.5 10.66 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.594 0.712 . . . . 0.0 110.799 -179.323 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.439 HG11 ' HB2' ' A' ' 112' ' ' MET . 7.2 p -134.65 143.05 38.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.003 -178.605 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.455 ' HB1' HD23 ' A' ' 38' ' ' LEU . . . -128.51 147.01 50.66 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.986 177.347 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.535 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -120.66 118.42 30.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.895 0.378 . . . . 0.0 111.306 -178.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -99.28 98.94 9.85 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 175.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 88.3 mt -111.24 126.64 55.09 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.451 -172.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 56.3 mt -101.35 138.46 25.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.747 177.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.78 123.79 20.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 111.073 178.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.492 HG22 ' HA2' ' A' ' 76' ' ' GLY . 44.5 t . . . . . 0 C--N 1.325 -0.467 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.6 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.466 ' CD1' ' HB1' ' A' ' 41' ' ' ALA . 2.3 p90 . . . . . 0 CA--C 1.532 0.27 0 CA-C-O 121.07 0.462 . . . . 0.0 111.624 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 10' ' ' PHE . 94.8 Cg_endo -102.25 40.67 0.05 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 124.062 3.175 . . . . 0.0 111.498 178.133 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.0 ttp180 70.71 104.26 0.06 Allowed 'General case' 0 N--CA 1.463 0.195 0 O-C-N 124.005 0.816 . . . . 0.0 109.434 -170.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.8 m -90.03 103.29 15.97 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.165 0.507 . . . . 0.0 110.381 -176.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.6 9.34 43.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.688 -177.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.449 ' HA ' ' OD1' ' A' ' 110' ' ' ASN . . . -151.37 112.91 4.4 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.697 177.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.486 HD13 HD21 ' A' ' 110' ' ' ASN . 2.2 mp -78.03 131.4 34.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 175.717 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -70.91 -64.47 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.867 -172.408 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.516 ' HB3' ' HB3' ' A' ' 25' ' ' TYR . . . -133.81 146.58 50.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.145 0.498 . . . . 0.0 111.798 -175.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -142.83 149.64 38.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.617 177.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 154.63 -160.45 29.61 Favored Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 178.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 ptmm? -67.55 155.93 37.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.895 0.378 . . . . 0.0 110.628 177.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.41 -37.89 3.28 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.057 -175.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.39 157.94 7.47 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.412 ' HE1' HD12 ' A' ' 35' ' ' LEU . 7.1 p90 -77.14 153.64 34.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.945 0.402 . . . . 0.0 110.629 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.516 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 81.3 t80 -139.22 141.61 37.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.793 -172.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -126.96 177.19 6.78 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 175.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.64 97.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.037 0.446 . . . . 0.0 110.99 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.41 -79.31 0.25 Allowed Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.991 -179.095 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -147.86 164.1 34.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.633 0.254 . . . . 0.0 110.618 -177.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.4 p -102.77 151.05 22.85 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 174.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -138.39 112.55 8.6 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.926 0.393 . . . . 0.0 110.953 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -74.24 153.01 39.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.619 174.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 111.51 -107.44 2.15 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -175.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.606 ' HB3' ' O ' ' A' ' 45' ' ' TRP . 15.8 t -159.2 157.64 31.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.094 0.473 . . . . 0.0 110.542 177.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.466 HD23 ' HA2' ' A' ' 44' ' ' GLY . 73.6 mt -139.5 150.0 44.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.036 178.254 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.717 ' HG ' ' HB2' ' A' ' 45' ' ' TRP . 83.4 mt -100.22 99.18 9.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.47 179.309 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.543 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 66.4 m-85 -89.53 88.9 7.61 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 175.132 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.421 ' C ' ' H ' ' A' ' 40' ' ' ASP . 75.4 mt -87.22 160.31 48.98 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.831 -178.552 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 38' ' ' LEU . 67.2 Cg_endo -74.63 32.73 0.36 Allowed 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.722 2.281 . . . . 0.0 112.044 176.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.421 ' H ' ' C ' ' A' ' 38' ' ' LEU . 29.7 t70 -150.92 -58.88 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.076 -175.567 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.466 ' HB1' ' CD1' ' A' ' 10' ' ' PHE . . . -146.3 167.21 24.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.437 179.604 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.1 t -110.92 128.62 67.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -127.0 163.28 24.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.727 0.299 . . . . 0.0 111.044 -177.574 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.466 ' HA2' HD23 ' A' ' 35' ' ' LEU . . . -88.88 135.46 13.03 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.095 -0.574 . . . . 0.0 111.898 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.717 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 5.7 t90 -137.74 92.77 2.71 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -175.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -79.16 84.06 5.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.379 0.609 . . . . 0.0 111.637 -174.085 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.7 t -124.06 99.12 6.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.259 172.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.1 m -78.46 -31.5 47.95 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.534 -175.473 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.666 ' HB2' ' HG3' ' A' ' 52' ' ' GLN . 89.1 mttt -113.06 127.67 26.55 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -61.64 -21.11 71.28 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.578 2.185 . . . . 0.0 112.15 178.01 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -71.91 -7.48 48.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.43 178.153 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.666 ' HG3' ' HB2' ' A' ' 49' ' ' LYS . 92.6 mt-30 -95.97 12.24 31.12 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.381 -177.239 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.425 HG22 HD21 ' A' ' 86' ' ' LEU . 69.3 mt -81.23 116.9 26.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.325 0.583 . . . . 0.0 110.828 -179.035 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.3 p30 -153.39 -167.08 2.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.863 -176.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.0 mtp-105 -77.88 -11.77 59.92 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.658 0.266 . . . . 0.0 111.303 -179.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -80.77 -44.25 18.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.225 0.536 . . . . 0.0 109.763 177.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.6 p -74.91 -43.78 52.39 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.68 177.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.6 mt -86.34 15.59 5.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.243 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.8 tm0? -52.95 -47.89 67.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.002 0.43 . . . . 0.0 110.748 -177.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.4 ttt-85 -69.82 -30.98 68.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.125 -178.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.9 t -68.85 -40.61 81.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.552 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -65.31 -29.3 70.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.707 176.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -80.4 -40.08 27.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.938 0.399 . . . . 0.0 110.488 179.075 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -86.34 17.89 3.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.18 -25.69 67.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.735 -177.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -69.96 -8.47 49.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.87 0.367 . . . . 0.0 111.239 178.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.414 ' O ' ' HB3' ' A' ' 118' ' ' ARG . . . -121.64 11.88 10.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.859 179.273 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 79.4 mt -136.7 119.59 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.88 -177.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -112.46 -25.06 9.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.818 0.342 . . . . 0.0 110.385 175.015 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.2 m -125.14 126.24 44.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.422 178.227 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.5 tp -116.79 104.93 11.83 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 178.281 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 59.8 mt -99.96 116.31 42.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.2 t -107.9 113.35 43.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.089 -175.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.443 ' HA3' ' HA ' ' A' ' 102' ' ' THR . . . -85.06 94.64 1.91 Allowed Glycine 0 N--CA 1.444 -0.786 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 170.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.552 HG21 ' HB3' ' A' ' 80' ' ' TRP . 16.5 p -67.45 -13.33 61.93 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -167.652 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.99 121.19 1.39 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.512 -0.851 . . . . 0.0 113.494 173.385 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.605 ' H ' HG12 ' A' ' 126' ' ' VAL . . . 76.47 -43.78 0.47 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.257 1.023 . . . . 0.0 111.76 173.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -152.29 177.32 10.69 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.2 t -92.53 106.81 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.096 0.474 . . . . 0.0 110.871 -176.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.552 ' HB3' HG21 ' A' ' 75' ' ' THR . 83.7 t90 -92.78 117.9 30.51 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.787 178.03 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 64.3 mt -87.41 116.49 29.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.345 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.61 140.8 97.62 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.296 -178.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -53.59 147.11 40.41 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 123.05 2.5 . . . . 0.0 112.377 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -55.22 -41.58 72.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.133 -175.182 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 50.0 tp60 -70.54 -37.04 74.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.742 0.306 . . . . 0.0 110.819 -176.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.425 HD21 HG22 ' A' ' 53' ' ' ILE . 58.3 tp -65.58 -42.9 91.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.27 0.557 . . . . 0.0 109.703 177.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 66.2 ttt180 -62.05 -43.38 98.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.226 177.313 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -66.43 -33.01 74.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.195 -179.289 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.05 96.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.024 0.44 . . . . 0.0 110.691 177.041 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.561 HD12 HD22 ' A' ' 97' ' ' LEU . 95.8 mt -70.01 -42.85 72.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.801 178.609 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 91' ' ' ARG . 1.3 mmp_? -70.7 -21.17 62.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.456 -179.212 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -66.34 -38.74 93.9 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 121.173 -0.537 . . . . 0.0 112.573 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.55 ' O ' ' HB2' ' A' ' 94' ' ' ASN . 19.5 m -81.79 -45.82 20.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.316 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.55 ' HB2' ' O ' ' A' ' 93' ' ' VAL . 66.6 t30 165.74 -21.95 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.794 0 O-C-N 123.487 0.492 . . . . 0.0 111.283 -178.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 48.4 t -69.87 125.64 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.198 0.523 . . . . 0.0 111.932 -169.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.2 t -87.66 108.34 18.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.454 173.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.561 HD22 HD12 ' A' ' 90' ' ' LEU . 69.9 tp -86.36 124.41 32.68 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.546 -179.311 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -130.67 114.58 15.58 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.991 0.424 . . . . 0.0 110.024 178.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.7 p -98.29 133.65 42.4 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.426 -176.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 22.9 ptp -161.27 -172.92 3.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.215 179.144 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -75.65 157.38 33.77 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 177.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.506 ' O ' HG13 ' A' ' 106' ' ' ILE . 4.3 m -58.55 -41.94 86.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.795 -176.094 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.25 -64.86 4.01 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 121.447 -0.406 . . . . 0.0 113.399 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.27 -34.08 78.24 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.788 2.325 . . . . 0.0 112.745 177.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.26 -46.12 91.69 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.9 0.381 . . . . 0.0 110.525 178.198 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 102' ' ' THR . 72.8 mt -58.97 -49.22 83.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.425 176.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -54.95 -52.26 63.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.248 -179.19 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.3 m -61.76 -36.6 81.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.415 -176.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -63.05 -46.7 86.27 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.644 177.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.486 HD21 HD13 ' A' ' 16' ' ' ILE . 29.6 m-80 -58.35 -31.84 67.97 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.162 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 49.3 mm -77.08 -54.1 13.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.032 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.518 ' HB2' HG11 ' A' ' 119' ' ' VAL . 25.4 mmt -67.87 -29.25 68.32 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -172.413 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 10.9 tp -63.49 -27.39 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.959 0.409 . . . . 0.0 110.946 -177.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -71.42 -29.27 68.36 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.036 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -91.78 13.65 17.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.67 0.271 . . . . 0.0 111.215 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 60.54 24.24 13.92 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.543 178.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -71.91 138.47 48.16 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.414 ' HB3' ' O ' ' A' ' 67' ' ' ALA . 60.6 mtt180 -78.15 67.3 3.95 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.301 0.572 . . . . 0.0 110.202 -178.396 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.518 HG11 ' HB2' ' A' ' 112' ' ' MET . 3.5 p -102.54 121.91 54.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.868 -177.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -103.11 121.41 42.57 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.723 176.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.543 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -98.51 104.47 16.51 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.079 0.466 . . . . 0.0 110.908 -179.186 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -89.07 98.41 11.75 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 175.148 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 86.4 mt -101.69 110.63 22.65 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.185 -172.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 64.1 mt -93.34 134.71 30.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 174.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -75.75 146.72 39.83 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.775 -177.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.605 HG12 ' H ' ' A' ' 77' ' ' ALA . 23.2 m . . . . . 0 C--N 1.322 -0.592 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.775 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.444 ' CD2' ' HB ' ' A' ' 42' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.821 0.343 . . . . 0.0 110.226 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -104.04 161.3 0.22 Allowed 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 123.753 2.969 . . . . 0.0 113.469 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.6 mmm-85 56.38 32.31 20.32 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.659 169.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.544 ' HB ' HG21 ' A' ' 42' ' ' VAL . 8.6 m -90.1 106.23 18.34 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.879 0.371 . . . . 0.0 110.533 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.468 ' HB2' HG21 ' A' ' 113' ' ' ILE . . . -129.03 6.48 5.43 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.349 179.052 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.38 102.22 14.9 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.468 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.474 HD12 HG23 ' A' ' 106' ' ' ILE . 67.5 mt -103.03 121.39 54.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 175.394 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -80.69 -59.81 2.54 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.174 -171.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.537 ' HB3' ' HB3' ' A' ' 25' ' ' TYR . . . -126.97 153.52 45.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.015 0.436 . . . . 0.0 110.71 -178.027 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -132.5 114.06 13.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.421 -178.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 141.06 -77.4 0.3 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.357 178.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -74.65 139.81 43.82 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.928 0.394 . . . . 0.0 110.394 -179.122 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.35 18.83 58.97 Favored Glycine 0 CA--C 1.52 0.359 0 CA-C-N 115.489 -0.778 . . . . 0.0 112.716 -176.433 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.436 ' HA3' ' HA ' ' A' ' 32' ' ' GLN . . . 75.08 -104.69 1.77 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.948 -178.262 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -107.4 108.3 19.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.0 0.429 . . . . 0.0 110.205 176.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.537 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 85.3 t80 -103.43 120.84 41.6 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.242 178.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -135.99 177.2 8.02 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 176.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.83 96.79 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.964 0.412 . . . . 0.0 110.512 178.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 146.45 -60.9 0.47 Allowed Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.627 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 22.3 ptp -147.88 161.63 40.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.993 0.425 . . . . 0.0 111.869 -175.285 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.0 m -101.46 96.87 7.43 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 168.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -105.51 105.47 15.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.138 0.494 . . . . 0.0 111.569 -171.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.436 ' HA ' ' HA3' ' A' ' 23' ' ' GLY . 5.4 pm0 -84.59 159.0 20.73 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 172.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.19 -111.97 3.34 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.474 -0.87 . . . . 0.0 111.526 -178.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.505 ' OG ' ' HB3' ' A' ' 45' ' ' TRP . 20.7 p -151.74 156.17 39.75 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.19 0.519 . . . . 0.0 111.34 178.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 90.3 mt -128.85 135.9 49.73 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.963 177.503 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.0 tt -108.71 105.54 15.18 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.542 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 97.6 m-85 -94.65 131.53 40.33 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.777 -178.287 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.2 mt -117.85 161.08 36.01 Favored Pre-proline 0 C--N 1.318 -0.765 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 175.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -47.69 -30.47 12.7 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.168 2.578 . . . . 0.0 114.027 -176.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -137.26 19.69 2.96 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -178.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -153.15 153.54 32.98 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.791 -176.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.544 HG21 ' HB ' ' A' ' 13' ' ' THR . 59.6 t -129.34 121.58 53.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 174.161 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -119.97 143.67 47.9 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.938 0.399 . . . . 0.0 110.995 -177.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.57 118.21 5.17 Favored Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 173.233 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.505 ' HB3' ' OG ' ' A' ' 34' ' ' SER . 2.1 t90 -87.16 141.11 28.89 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -176.4 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -91.7 10.61 27.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.836 0.827 . . . . 0.0 111.127 -172.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 91.9 t -91.73 117.0 34.11 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.895 -175.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.0 m -108.25 -3.5 18.39 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.462 0.648 . . . . 0.0 110.172 -179.381 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.618 ' HB2' ' HB2' ' A' ' 52' ' ' GLN . 50.3 mttp -128.03 124.43 23.13 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.046 -178.456 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.28 -39.46 86.67 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.565 2.177 . . . . 0.0 112.724 178.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -84.2 9.57 12.5 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 121.363 0.601 . . . . 0.0 110.796 -178.137 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.618 ' HB2' ' HB2' ' A' ' 49' ' ' LYS . 53.9 tt0 -91.03 -9.28 46.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.333 0.587 . . . . 0.0 110.417 179.135 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.43 HD12 ' CZ3' ' A' ' 80' ' ' TRP . 66.1 mt -67.72 105.64 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.359 0.599 . . . . 0.0 110.891 -179.103 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.825 ' H ' ' HB3' ' A' ' 57' ' ' SER . 2.8 p-10 -130.38 -168.81 2.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.007 -178.548 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.78 -43.4 90.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.122 -178.582 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -80.51 -31.05 37.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.454 -176.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.825 ' HB3' ' H ' ' A' ' 54' ' ' ASP . 38.3 t -61.03 -36.8 80.52 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.254 0.549 . . . . 0.0 110.187 175.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.54 HD12 HD11 ' A' ' 86' ' ' LEU . 92.8 mt -93.53 24.83 3.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.995 179.654 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -52.04 -44.3 64.15 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.046 0.45 . . . . 0.0 110.744 178.012 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -73.12 -21.33 60.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.906 -177.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.513 HG21 HD22 ' A' ' 58' ' ' LEU . 87.0 t -80.8 -47.1 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.272 179.319 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -66.37 -33.94 76.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.846 0.355 . . . . 0.0 110.284 176.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -57.04 -54.91 41.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.27 178.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -107.7 30.19 6.53 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.27 -175.015 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.04 -30.59 68.14 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.617 -178.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -62.69 -23.44 67.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.486 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -98.41 -0.17 44.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.025 0.44 . . . . 0.0 111.05 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 67.4 mt -108.84 136.49 44.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.979 -176.248 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.41 ' HB3' ' HB2' ' A' ' 118' ' ' ARG . 4.9 t70 -116.78 -61.64 1.69 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 172.293 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.0 m -104.97 126.78 52.4 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.355 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.6 tp -112.34 107.19 15.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.008 0.433 . . . . 0.0 110.188 178.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 61.3 mt -94.2 113.25 28.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.917 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 80.9 t -107.75 116.54 51.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.85 0.357 . . . . 0.0 110.858 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -95.09 109.7 3.89 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 175.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.468 ' CG2' ' HB3' ' A' ' 80' ' ' TRP . 72.2 p -88.75 13.13 13.11 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -172.005 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.41 -139.3 14.46 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.524 178.083 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.33 -47.64 33.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.908 0.385 . . . . 0.0 111.153 -176.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -97.45 156.27 16.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.008 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.4 t -87.56 111.05 21.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -176.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.468 ' HB3' ' CG2' ' A' ' 75' ' ' THR . 58.7 t90 -88.8 123.23 33.0 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 174.414 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 11.0 tt -93.27 116.04 33.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.302 0.572 . . . . 0.0 110.148 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.69 133.67 89.15 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.757 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -51.16 136.52 45.84 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.702 2.268 . . . . 0.0 111.2 177.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.434 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 71.8 ttt180 -59.12 -35.85 74.18 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 121.217 -0.193 . . . . 0.0 111.268 -174.222 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -61.05 -39.37 89.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.961 0.41 . . . . 0.0 110.552 177.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.54 HD11 HD12 ' A' ' 58' ' ' LEU . 55.8 tp -72.26 -42.25 65.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.157 177.401 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -57.33 -51.1 70.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.711 178.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 84' ' ' ARG . 10.9 mm-40 -66.66 -30.29 70.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.203 -177.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.88 -46.68 80.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.872 0.368 . . . . 0.0 110.575 176.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.799 HD12 HD22 ' A' ' 97' ' ' LEU . 91.0 mt -70.51 -41.86 72.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.718 178.616 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 56.9 ttp85 -63.34 -28.01 69.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.682 -178.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -74.99 -30.71 58.82 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.454 178.171 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.49 HG23 HG23 ' A' ' 95' ' ' VAL . 30.1 m -96.08 29.64 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 O-C-N 122.71 -0.288 . . . . 0.0 111.287 -178.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.2 t30 77.51 0.67 2.93 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.976 171.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.49 HG23 HG23 ' A' ' 93' ' ' VAL . 65.2 t -87.38 107.45 17.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 O-C-N 122.011 -0.431 . . . . 0.0 110.873 -177.471 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.2 t -76.67 93.96 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.155 0.502 . . . . 0.0 109.867 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.799 HD22 HD12 ' A' ' 90' ' ' LEU . 54.3 tp -83.07 120.31 25.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.236 -177.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -129.83 125.18 35.08 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.5 p -103.87 126.04 50.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.522 -176.564 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 24.5 ptp -147.99 175.94 10.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.467 -177.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -72.53 159.91 33.16 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 176.091 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.482 ' O ' HG13 ' A' ' 106' ' ' ILE . 0.1 OUTLIER -63.14 -31.53 72.7 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -178.419 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.55 -67.06 2.41 Favored Glycine 0 CA--C 1.522 0.489 0 C-N-CA 121.117 -0.564 . . . . 0.0 112.414 178.08 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -57.96 -29.16 85.67 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.663 2.242 . . . . 0.0 112.485 176.355 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.05 -48.37 78.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.065 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' ' 102' ' ' THR . 78.8 mt -60.38 -42.53 91.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-O 120.82 0.343 . . . . 0.0 110.254 178.292 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -57.06 -56.02 27.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.724 177.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.5 m -64.55 -41.63 96.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.453 -175.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -61.07 -47.86 84.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.806 -0.179 . . . . 0.0 111.291 -178.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -60.33 -37.34 80.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.011 0.434 . . . . 0.0 110.59 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 76.7 mt -74.18 -43.53 50.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 178.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 17.8 mmt -61.5 -43.32 99.07 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -177.503 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.468 HG21 ' HB2' ' A' ' 14' ' ' ALA . 10.8 tp -68.89 -26.04 31.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.941 0.4 . . . . 0.0 110.421 -179.188 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -85.49 -21.67 53.36 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.161 178.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.416 ' OE2' ' HD2' ' A' ' 117' ' ' ARG . 30.1 tt0 -85.26 -4.47 59.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.14 0.495 . . . . 0.0 110.054 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 63.39 66.51 0.7 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.703 176.255 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.416 ' HD2' ' OE2' ' A' ' 115' ' ' GLU . 35.8 mtp-105 -127.59 170.89 12.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.03 176.578 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.41 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 89.8 mtt180 -84.58 86.26 7.33 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 176.459 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 7.6 p -120.02 137.07 55.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 121.222 0.534 . . . . 0.0 111.433 -175.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -122.14 142.27 50.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.324 -0.853 . . . . 0.0 108.886 173.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.542 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -125.78 118.46 25.6 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.016 0.436 . . . . 0.0 111.517 -175.745 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -103.76 95.99 6.4 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 75.5 mt -103.65 116.57 32.59 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.199 -173.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 60.3 mt -101.84 128.04 54.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.492 176.095 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.84 163.08 28.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.71 -178.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 19.0 m . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.52 179.71 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.482 ' HD1' ' HB1' ' A' ' 41' ' ' ALA . 68.0 m-85 . . . . . 0 N--CA 1.456 -0.133 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 10' ' ' PHE . 16.6 Cg_exo -69.06 53.55 0.84 Allowed 'Trans proline' 0 N--CA 1.476 0.497 0 C-N-CA 123.597 2.865 . . . . 0.0 114.149 -172.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 50.3 ttp180 52.94 82.38 0.07 Allowed 'General case' 0 C--O 1.235 0.308 0 C-N-CA 123.295 0.638 . . . . 0.0 111.659 174.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.435 ' HB ' ' CG2' ' A' ' 42' ' ' VAL . 20.0 m -101.03 103.4 14.52 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.186 0.517 . . . . 0.0 110.615 179.524 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.514 ' HB1' HG21 ' A' ' 113' ' ' ILE . . . -119.68 -25.8 5.85 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.804 177.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.34 104.61 17.12 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.837 177.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.513 ' HB ' HG23 ' A' ' 106' ' ' ILE . 57.0 mt -75.79 126.01 36.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.278 -177.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.569 ' HB3' ' HA ' ' A' ' 26' ' ' PHE . 45.0 t0 -68.57 -74.23 0.13 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.751 -173.065 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -163.48 176.62 9.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.925 0.393 . . . . 0.0 111.511 -179.195 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -149.1 159.32 44.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.812 176.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -138.69 -159.42 8.05 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.867 -0.683 . . . . 0.0 111.68 179.086 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.635 ' HD3' ' H ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -84.42 -20.07 32.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.979 0.418 . . . . 0.0 110.322 179.619 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.603 ' O ' ' HA ' ' A' ' 31' ' ' HIS . . . -101.83 37.01 3.85 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.56 179.348 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.02 -167.1 20.44 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.11 -179.123 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -79.86 156.74 27.2 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.86 0.362 . . . . 0.0 110.647 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -137.1 96.08 3.22 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.569 ' HA ' ' HB3' ' A' ' 17' ' ' ASP . 17.2 p90 -132.99 120.77 21.83 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.583 -173.126 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 60.87 17.21 7.55 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.291 174.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 109.58 -13.57 32.75 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.232 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 86.8 mtp -87.64 126.91 35.23 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.8 t -133.51 173.34 11.59 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.028 -173.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.603 ' HA ' ' O ' ' A' ' 22' ' ' GLY . 18.8 m-70 65.21 25.46 12.32 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.882 177.274 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.523 ' HG2' HD21 ' A' ' 35' ' ' LEU . 56.4 tp60 -96.47 112.82 24.42 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 175.398 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.51 -40.18 39.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.932 -0.652 . . . . 0.0 113.397 -174.391 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.729 ' HB2' ' HB3' ' A' ' 45' ' ' TRP . 0.9 OUTLIER -136.38 140.62 43.36 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.97 0.385 . . . . 0.0 110.963 -176.426 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.523 HD21 ' HG2' ' A' ' 32' ' ' GLN . 50.8 mt -132.11 139.6 48.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.514 ' HG ' ' HB2' ' A' ' 45' ' ' TRP . 97.6 mt -106.31 98.14 7.85 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.984 177.206 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.423 ' CE1' HD12 ' A' ' 123' ' ' LEU . 69.5 m-85 -86.01 94.29 9.19 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.713 -179.45 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.4 mt -89.27 160.17 43.19 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 175.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -72.49 44.8 0.76 Allowed 'Trans proline' 0 CA--C 1.535 0.548 0 C-N-CA 122.942 2.428 . . . . 0.0 112.983 -177.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -173.87 -57.3 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.297 0.57 . . . . 0.0 109.979 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.482 ' HB1' ' HD1' ' A' ' 10' ' ' PHE . . . -130.69 152.34 50.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.914 -177.493 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.435 ' CG2' ' HB ' ' A' ' 13' ' ' THR . 59.3 t -110.1 122.68 65.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.045 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 88.2 m95 -112.91 171.54 7.47 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.688 -177.451 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.74 153.51 21.26 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.907 -0.664 . . . . 0.0 112.59 -178.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.729 ' HB3' ' HB2' ' A' ' 34' ' ' SER . 2.8 t90 -134.88 160.33 38.59 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.571 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -121.01 29.12 7.52 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.374 0.606 . . . . 0.0 111.722 -171.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.563 HG13 ' HB2' ' A' ' 52' ' ' GLN . 74.1 t -111.25 97.81 6.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 O-C-N 121.691 -0.63 . . . . 0.0 110.852 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.2 m -86.78 -33.06 20.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.282 0.563 . . . . 0.0 110.539 -179.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -106.85 126.37 30.4 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 175.209 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -60.19 -11.94 17.84 Favored 'Trans proline' 0 N--CA 1.474 0.356 0 C-N-CA 122.917 2.411 . . . . 0.0 112.951 -176.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -86.45 1.92 49.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.043 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.563 ' HB2' HG13 ' A' ' 47' ' ' VAL . 52.9 mt-30 -94.4 -8.45 38.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.883 178.025 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 65.2 mt -68.75 104.29 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.289 0.566 . . . . 0.0 111.955 -173.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -109.62 167.91 9.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.095 173.041 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -55.51 -39.77 70.92 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.857 0.36 . . . . 0.0 110.742 175.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -81.42 -12.07 59.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.662 -178.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.9 m -76.78 -25.91 53.88 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 170.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.0 mt -97.12 19.42 12.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.282 177.363 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -53.66 -44.72 69.87 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.259 0.552 . . . . 0.0 110.889 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -71.77 -19.88 61.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.337 -177.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.6 t -87.12 -49.01 15.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.045 -176.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -59.47 -30.24 68.38 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.877 0.37 . . . . 0.0 111.447 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -68.3 -40.8 81.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.117 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -96.17 13.91 25.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.462 0.649 . . . . 0.0 110.29 -175.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.71 -16.81 43.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.534 -175.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 35.9 p30 -67.82 -22.55 65.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.766 0.317 . . . . 0.0 111.248 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -103.99 4.17 34.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.968 0.413 . . . . 0.0 110.448 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 51.0 mt -107.17 89.61 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.86 -177.014 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.403 ' HB3' ' HB2' ' A' ' 118' ' ' ARG . 2.7 t70 -75.13 -47.85 26.6 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.377 -0.829 . . . . 0.0 108.991 172.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.47 ' HB ' HG23 ' A' ' 119' ' ' VAL . 25.0 m -117.95 128.5 54.86 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.078 176.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 51.6 tp -110.33 111.31 22.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.002 177.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 75.2 mt -97.34 122.44 48.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.583 -179.117 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.6 t -104.8 106.9 21.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 175.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -99.97 98.71 1.94 Allowed Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.904 -178.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.503 ' O ' ' HA ' ' A' ' 101' ' ' GLN . 16.6 p -99.45 121.91 41.8 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.072 0.463 . . . . 0.0 111.275 -177.235 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -87.97 42.35 3.1 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.625 -0.797 . . . . 0.0 111.902 177.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -149.85 79.48 1.37 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 120.78 0.324 . . . . 0.0 110.616 -176.102 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.2 t70 66.04 -157.88 0.26 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.973 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 38.7 t -96.48 96.94 5.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 176.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 72.4 t90 -90.87 111.77 23.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.037 0.446 . . . . 0.0 110.509 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 11.0 tt -92.09 131.93 37.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.838 175.541 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.16 132.98 87.85 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.682 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -57.6 145.56 88.65 Favored 'Trans proline' 0 C--O 1.236 0.382 0 C-N-CA 122.818 2.345 . . . . 0.0 111.286 177.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.438 ' HD3' ' N ' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -63.41 -28.53 70.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.123 -173.606 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.438 ' N ' ' HD3' ' A' ' 84' ' ' ARG . 57.7 tt0 -60.08 -43.85 95.19 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.888 0.375 . . . . 0.0 110.048 177.001 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.2 tp -76.95 -44.55 30.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.397 -178.047 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 61.0 ttp85 -57.65 -47.97 80.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.21 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -78.94 -21.74 46.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.485 -177.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.61 -43.09 77.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.96 0.409 . . . . 0.0 109.942 173.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.62 HD12 HD22 ' A' ' 97' ' ' LEU . 96.0 mt -67.1 -34.57 77.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.364 176.246 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -59.91 -34.13 72.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.245 176.09 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -63.44 -27.39 70.74 Favored Glycine 0 CA--C 1.518 0.227 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.217 177.292 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.436 ' O ' ' HB2' ' A' ' 94' ' ' ASN . 8.0 t -90.86 -2.48 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.158 0.504 . . . . 0.0 109.738 178.748 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 93' ' ' VAL . 4.1 m-20 73.62 23.26 2.44 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.262 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.7 t -91.2 124.96 43.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.404 179.203 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.2 t -78.64 109.77 13.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.36 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.62 HD22 HD12 ' A' ' 90' ' ' LEU . 63.5 tp -92.37 133.94 35.4 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.425 -177.146 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -142.65 129.84 20.92 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 175.017 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.5 t -123.01 138.78 54.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.017 0.436 . . . . 0.0 111.346 -176.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -160.79 -171.88 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.706 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.503 ' HA ' ' O ' ' A' ' 75' ' ' THR . 26.1 mp0 -80.23 159.83 25.79 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 179.227 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.479 ' O ' HG13 ' A' ' 106' ' ' ILE . 3.5 m -51.78 -47.88 64.01 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 123.552 0.533 . . . . 0.0 112.121 -176.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -54.39 -65.45 3.49 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 121.245 -0.502 . . . . 0.0 113.012 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.16 -34.42 78.57 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.713 2.275 . . . . 0.0 112.685 176.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.34 -44.71 94.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.151 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.513 HG23 ' HB ' ' A' ' 16' ' ' ILE . 77.7 mt -56.65 -49.4 78.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.106 0.479 . . . . 0.0 110.299 177.308 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 107' ' ' ARG . 43.4 ttp180 -61.41 -45.05 95.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.665 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 45.7 m -64.07 -45.38 89.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.269 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -65.31 -43.35 91.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.652 0.263 . . . . 0.0 110.771 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -59.49 -30.67 68.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.792 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 77.1 mt -82.06 -49.54 17.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.948 0.404 . . . . 0.0 110.829 175.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.462 ' HA ' ' HB3' ' A' ' 115' ' ' GLU . 47.9 mtt -64.59 -28.36 69.57 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -174.622 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.514 HG21 ' HB1' ' A' ' 14' ' ' ALA . 10.7 tp -62.82 -32.01 54.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.865 0.364 . . . . 0.0 110.505 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -89.87 -29.21 16.21 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.603 176.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.462 ' HB3' ' HA ' ' A' ' 112' ' ' MET . 31.2 tt0 -69.62 -62.37 1.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.886 0.374 . . . . 0.0 111.45 179.587 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.418 ' O ' ' HG3' ' A' ' 118' ' ' ARG . 60.3 mtt180 -100.72 -33.93 10.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.65 -172.743 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 46.7 tpt85 67.97 7.79 6.03 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.604 0.716 . . . . 0.0 110.434 -178.447 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' A' ' 116' ' ' ARG . 55.4 mtp180 -127.1 31.76 5.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.084 -177.16 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.47 HG23 ' HB ' ' A' ' 70' ' ' THR . 7.4 p -111.8 136.49 47.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.014 0.435 . . . . 0.0 111.03 -175.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -120.6 136.35 54.83 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.791 177.512 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.416 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -118.39 117.78 30.0 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.036 0.446 . . . . 0.0 111.503 -176.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -95.17 99.53 11.48 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 173.456 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.423 HD12 ' CE1' ' A' ' 37' ' ' PHE . 66.0 mt -100.96 133.39 45.51 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.143 0.497 . . . . 0.0 111.847 -172.716 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 64.2 mt -115.93 135.49 55.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.224 175.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.64 -174.26 2.9 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.031 0.443 . . . . 0.0 111.352 -179.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 45.7 t . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.055 179.474 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.436 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 71.4 m-85 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 121.021 0.439 . . . . 0.0 110.685 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 10' ' ' PHE . 15.5 Cg_endo -91.35 113.64 0.38 Allowed 'Trans proline' 0 N--CA 1.448 -1.154 0 C-N-CA 123.541 2.827 . . . . 0.0 112.203 -178.159 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' A' ' 39' ' ' PRO . 24.0 ttm-85 62.28 29.75 17.4 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.672 177.196 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.3 m -90.6 103.41 16.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.875 -178.045 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -108.38 24.48 12.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.78 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -103.43 103.27 13.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.176 -177.135 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.7 mt -100.95 112.93 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 175.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.405 ' OD1' ' HA ' ' A' ' 26' ' ' PHE . 7.0 p-10 -91.56 -8.67 46.77 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -174.646 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.464 ' HB3' ' HB3' ' A' ' 25' ' ' TYR . . . -154.51 124.46 6.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.085 0.469 . . . . 0.0 111.804 175.259 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -137.16 137.01 38.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.238 0.542 . . . . 0.0 110.737 175.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 152.27 -167.39 31.29 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt 64.33 -83.05 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.943 0.437 . . . . 0.0 111.046 176.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -174.65 27.28 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -165.4 168.19 39.29 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.432 -178.202 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -104.01 120.59 41.39 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.53 ' HA ' ' O ' ' A' ' 29' ' ' MET . 86.3 t80 -109.86 113.38 26.06 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 175.294 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.405 ' HA ' ' OD1' ' A' ' 17' ' ' ASP . 30.6 p90 -142.22 127.89 19.19 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.804 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 64.2 11.14 6.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.057 -0.974 . . . . 0.0 113.018 172.128 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 130.22 -23.53 4.6 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 119.937 -1.125 . . . . 0.0 113.967 175.125 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.53 ' O ' ' HA ' ' A' ' 25' ' ' TYR . 13.0 ptp -106.6 144.46 33.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 117.757 0.778 . . . . 0.0 111.304 -178.276 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.5 t -117.18 100.44 7.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.222 176.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -108.35 121.18 44.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.679 0.276 . . . . 0.0 110.517 -176.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -86.41 152.67 22.51 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.002 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.91 -132.09 10.94 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.29 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.491 ' HB3' ' HE3' ' A' ' 45' ' ' TRP . 40.2 m -121.09 154.14 36.52 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.808 0.337 . . . . 0.0 110.896 -177.704 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 88.6 mt -138.52 152.33 48.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.844 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.873 ' HG ' ' HB2' ' A' ' 45' ' ' TRP . 82.8 mt -110.69 104.56 13.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.305 178.127 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.462 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 97.1 m-85 -90.33 98.58 11.86 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.2 mt -92.07 155.89 42.62 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.667 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.518 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 36.1 Cg_exo -61.82 -10.68 17.97 Favored 'Trans proline' 0 CA--C 1.53 0.288 0 C-N-CA 122.959 2.439 . . . . 0.0 113.521 -176.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -120.38 -24.63 5.83 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -177.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -164.43 161.03 21.25 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.814 0.34 . . . . 0.0 111.424 -178.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.1 t -104.68 128.64 58.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.429 179.376 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -129.09 174.85 9.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.456 179.428 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.51 156.17 22.5 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.309 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.873 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 12.3 t90 -131.06 122.33 26.55 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -90.86 74.05 6.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.374 0.607 . . . . 0.0 111.969 -172.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.9 t -135.05 116.04 19.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 168.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.7 m -83.82 -32.6 25.21 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 120.892 0.377 . . . . 0.0 111.905 -170.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.478 ' HE3' ' HB2' ' A' ' 49' ' ' LYS . 30.6 ttmt -138.33 125.95 13.66 Favored Pre-proline 0 C--N 1.323 -0.567 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.605 -175.361 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.467 ' HD3' HG21 ' A' ' 124' ' ' ILE . 25.6 Cg_endo -62.65 92.7 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.061 2.507 . . . . 0.0 112.308 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -179.16 -49.67 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.067 -0.97 . . . . 0.0 108.926 -177.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -96.21 51.47 1.22 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.142 -175.451 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 57.8 mt -92.3 118.17 37.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.339 173.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -134.23 -171.6 2.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.612 -174.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.521 ' HG3' ' CE2' ' A' ' 62' ' ' PHE . 18.4 ttt180 -72.46 -23.55 61.07 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -174.557 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -78.59 -31.78 47.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.986 0.422 . . . . 0.0 110.522 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.4 p -83.94 -28.02 28.13 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.962 0.411 . . . . 0.0 110.724 178.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 88.3 mt -91.52 9.6 31.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.906 175.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -62.12 -32.92 73.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.934 0.397 . . . . 0.0 111.028 -175.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.42 ' HD3' ' CD1' ' A' ' 36' ' ' LEU . 40.4 mtt85 -60.57 -31.31 70.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.12 175.341 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.487 HG11 HD22 ' A' ' 71' ' ' LEU . 64.0 t -76.52 -40.7 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.794 -178.554 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.521 ' CE2' ' HG3' ' A' ' 55' ' ' ARG . 74.3 m-85 -62.85 -32.41 73.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.558 -178.17 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -77.01 -50.1 13.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.059 0.457 . . . . 0.0 110.447 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -86.26 20.9 2.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.294 0.569 . . . . 0.0 110.754 -175.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.32 -9.83 27.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.078 0.466 . . . . 0.0 111.433 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -75.92 -22.54 55.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.527 176.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -112.35 -28.17 8.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.424 178.33 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 62.9 mt -87.97 87.58 2.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.308 177.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -82.69 -58.0 3.08 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.659 176.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.6 m -104.2 123.93 48.21 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.541 176.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.487 HD22 HG11 ' A' ' 61' ' ' VAL . 56.4 tp -115.45 128.07 55.78 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.041 0.448 . . . . 0.0 110.916 -177.542 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 74.4 mt -115.76 124.29 72.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.853 178.119 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.614 ' HB ' HG22 ' A' ' 99' ' ' THR . 92.8 t -116.8 120.81 66.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.925 0.393 . . . . 0.0 110.626 178.771 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -95.63 109.16 3.79 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 176.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.601 HG21 ' HB3' ' A' ' 80' ' ' TRP . 25.6 p -88.21 29.97 0.91 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.024 0.44 . . . . 0.0 111.929 -174.498 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.18 -133.65 11.97 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.17 178.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.69 -18.42 21.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.089 0.471 . . . . 0.0 110.781 179.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -99.17 162.25 13.16 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.1 t -108.94 107.95 24.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 120.837 0.351 . . . . 0.0 111.429 -175.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.601 ' HB3' HG21 ' A' ' 75' ' ' THR . 88.2 t90 -105.02 112.88 26.17 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 174.099 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 7.8 tp -87.08 134.64 27.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.716 -178.02 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.425 ' HA ' ' HD3' ' A' ' 83' ' ' PRO . . . -68.15 123.85 88.3 Favored Pre-proline 0 C--O 1.236 0.388 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.452 178.001 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 82' ' ' ALA . 33.1 Cg_exo -58.2 156.34 30.43 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 123.175 2.583 . . . . 0.0 112.392 -178.778 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.505 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 40.8 ttm180 -62.72 -45.66 91.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.973 -177.345 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -56.77 -41.58 77.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.917 0.389 . . . . 0.0 110.854 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.7 tp -67.31 -45.04 77.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.341 177.012 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.3 ttm180 -61.5 -40.18 93.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.472 -179.386 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 84' ' ' ARG . 33.5 mm-40 -59.34 -45.68 90.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.818 0.342 . . . . 0.0 110.482 177.235 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.27 96.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.865 178.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 66.4 mt -62.19 -46.9 86.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.305 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 91' ' ' ARG . 37.5 ttp-105 -67.52 -21.4 65.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.052 0.454 . . . . 0.0 110.491 -177.424 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -70.09 -19.25 75.42 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.845 175.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.401 ' O ' ' HB3' ' A' ' 94' ' ' ASN . 3.0 t -110.32 17.58 7.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 178.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.401 ' HB3' ' O ' ' A' ' 93' ' ' VAL . 8.4 t30 77.69 -11.45 1.2 Allowed 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.935 176.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 48.2 t -65.21 110.76 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.99 0.424 . . . . 0.0 111.557 -175.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 37.7 t -90.65 93.48 4.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.773 176.203 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.489 HD11 HG23 ' A' ' 73' ' ' VAL . 31.4 tp -102.64 126.64 49.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.245 0.545 . . . . 0.0 112.044 -176.224 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -126.94 135.07 50.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.58 172.174 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.614 HG22 ' HB ' ' A' ' 73' ' ' VAL . 33.1 p -108.96 142.04 40.18 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.784 0.326 . . . . 0.0 110.947 -177.733 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -162.26 -174.38 4.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.907 178.062 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -66.29 151.25 47.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.462 176.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.472 ' O ' HG13 ' A' ' 106' ' ' ILE . 17.5 m -63.36 -29.8 71.05 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.474 -177.581 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -57.24 -67.11 2.38 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 121.173 -0.537 . . . . 0.0 112.83 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -58.35 -28.27 84.21 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.83 2.353 . . . . 0.0 112.51 175.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.78 -49.44 72.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.845 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 102' ' ' THR . 79.2 mt -58.68 -43.96 88.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.524 178.189 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 69.8 mtt85 -57.52 -53.57 56.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.339 178.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.8 m -63.49 -43.62 96.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.66 -177.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -63.49 -47.76 80.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.999 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -53.76 -48.38 69.78 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.348 0.405 . . . . 0.0 111.549 -177.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 70.3 mt -69.66 -47.86 68.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.1 0.476 . . . . 0.0 110.753 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 12.6 tpt -64.49 -42.64 95.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.676 -175.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.782 ' HA ' ' HA ' ' A' ' 117' ' ' ARG . 10.1 tp -68.24 -28.57 41.3 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-O 121.031 0.443 . . . . 0.0 110.631 -177.568 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -77.69 -43.02 15.85 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.455 -0.879 . . . . 0.0 111.71 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -74.42 -60.27 2.35 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -176.426 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.59 ' O ' ' HG2' ' A' ' 117' ' ' ARG . 47.7 mtt180 -121.49 -17.16 7.63 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.176 0.435 . . . . 0.0 112.176 -172.585 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.782 ' HA ' ' HA ' ' A' ' 113' ' ' ILE . 2.2 ptp180 45.55 36.54 2.58 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.717 0.807 . . . . 0.0 112.196 -179.181 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -94.55 23.79 5.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.466 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 14.4 p -133.67 149.58 31.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.036 -171.522 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -124.19 142.05 51.55 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 172.307 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.462 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -117.08 120.1 37.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.091 0.472 . . . . 0.0 112.08 -174.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.561 ' HB3' HG22 ' A' ' 73' ' ' VAL . . . -105.3 97.19 7.07 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 172.036 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 87.9 mt -105.8 128.57 53.81 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.417 -171.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.467 HG21 ' HD3' ' A' ' 50' ' ' PRO . 35.6 mt -102.74 144.35 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.41 175.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -72.65 156.96 38.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.938 0.399 . . . . 0.0 110.893 178.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 17.8 m . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.8 178.12 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 . . . . . 0 C--O 1.232 0.147 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.44 ' HA ' ' O ' ' A' ' 40' ' ' ASP . 71.7 Cg_endo -87.59 89.37 0.56 Allowed 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.87 2.38 . . . . 0.0 113.625 -173.271 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 12' ' ' ARG . 33.0 ttp-105 63.57 104.43 0.03 OUTLIER 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.796 170.365 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.4 m -90.0 103.3 15.98 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 171.175 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.9 -45.59 10.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.917 0.389 . . . . 0.0 111.402 -175.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -96.42 102.68 14.5 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.603 -179.574 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.428 ' HB ' ' CG2' ' A' ' 106' ' ' ILE . 45.0 mt -99.8 140.94 17.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -99.89 -167.45 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.386 -176.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.63 147.93 5.93 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -178.01 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -133.42 157.79 44.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.991 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.96 -83.13 0.32 Allowed Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.217 177.444 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.475 ' HA ' ' HD3' ' A' ' 21' ' ' LYS . 26.1 mmtp -73.44 106.36 5.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.235 0.54 . . . . 0.0 110.792 -179.114 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.59 -3.29 71.38 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.874 -177.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.44 ' HA3' ' O ' ' A' ' 32' ' ' GLN . . . 99.77 -126.56 8.96 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.896 -0.668 . . . . 0.0 111.762 -178.521 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -99.01 124.36 43.94 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 176.31 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -125.07 103.6 8.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.483 -174.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -142.57 177.22 8.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.48 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.04 97.18 3.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.311 0.577 . . . . 0.0 111.195 -176.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 154.09 -74.24 0.24 Allowed Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 58.5 mtt -140.77 141.79 34.79 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 173.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.8 m -132.65 113.13 12.65 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.68 -178.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 175.06 171.39 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.134 -176.16 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.44 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 32.1 mt-30 71.71 149.33 0.09 Allowed 'General case' 0 N--CA 1.467 0.421 0 O-C-N 124.096 0.872 . . . . 0.0 112.124 174.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.6 1.63 69.22 Favored Glycine 0 N--CA 1.445 -0.717 0 CA-C-N 115.454 -0.794 . . . . 0.0 112.457 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.572 ' HB2' ' O ' ' A' ' 45' ' ' TRP . 49.3 m -156.29 148.23 23.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.951 0.405 . . . . 0.0 110.483 178.116 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 82.3 mt -139.76 142.09 36.79 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.939 176.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.3 tt -105.42 105.07 14.94 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.552 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 99.2 m-85 -96.3 111.33 23.44 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.061 -177.254 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.558 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 94.3 mt -89.74 163.64 31.96 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 171.198 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.558 ' HD2' ' HB3' ' A' ' 38' ' ' LEU . 33.3 Cg_endo -65.48 11.9 0.13 Allowed 'Trans proline' 0 CA--C 1.535 0.572 0 C-N-CA 122.679 2.253 . . . . 0.0 114.286 -177.576 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.44 ' O ' ' HA ' ' A' ' 11' ' ' PRO . 14.4 t70 -162.54 -40.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.882 0.372 . . . . 0.0 110.859 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.428 ' O ' ' HB2' ' A' ' 38' ' ' LEU . . . -106.81 135.65 47.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.828 0.347 . . . . 0.0 111.439 -177.603 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.6 t -102.22 127.29 55.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.246 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 65.3 m95 -120.03 145.3 46.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.949 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -83.75 131.89 10.71 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 176.446 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.572 ' O ' ' HB2' ' A' ' 34' ' ' SER . 0.8 OUTLIER -119.95 104.59 10.29 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -174.31 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -78.93 84.73 4.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.292 0.567 . . . . 0.0 110.818 -177.372 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.466 HG13 ' HB3' ' A' ' 52' ' ' GLN . 92.7 t -134.62 143.7 36.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.436 179.142 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.8 m -130.87 -5.55 4.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.338 0.589 . . . . 0.0 110.694 177.48 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -136.18 137.06 23.72 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.227 -178.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -62.66 -19.69 68.81 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.3 2.0 . . . . 0.0 110.948 173.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -72.22 -12.81 61.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.828 178.076 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.466 ' HB3' HG13 ' A' ' 47' ' ' VAL . 39.5 tt0 -91.71 19.37 6.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.002 -173.221 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 64.3 mt -102.28 103.52 15.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.239 0.543 . . . . 0.0 111.707 -176.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -121.87 178.09 5.02 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 174.071 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -64.51 -25.54 68.04 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 176.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -65.41 -40.65 93.65 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.0 174.035 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.5 m -69.33 -33.08 72.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.116 178.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 87.5 mt -94.93 27.22 3.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.661 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -54.18 -41.73 68.86 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.41 -177.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -66.92 -36.39 82.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.847 0.356 . . . . 0.0 110.851 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.518 HG11 HD22 ' A' ' 71' ' ' LEU . 61.4 t -68.93 -42.64 82.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.006 -176.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -70.74 -20.13 62.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.762 0.315 . . . . 0.0 111.389 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -84.43 -51.31 7.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.047 0.451 . . . . 0.0 110.491 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -90.22 25.8 2.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.535 -179.056 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.68 -37.38 68.23 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -173.045 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -57.96 -39.64 78.63 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.056 0.455 . . . . 0.0 110.611 -178.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.77 -11.72 55.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.714 -175.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.8 mt -103.28 108.67 24.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.963 0.411 . . . . 0.0 110.802 -178.353 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -92.69 -43.2 9.2 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.284 0.564 . . . . 0.0 109.808 177.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.6 m -120.27 126.73 51.31 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.75 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.518 HD22 HG11 ' A' ' 61' ' ' VAL . 61.3 tp -111.92 105.13 13.48 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.875 178.25 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 61.0 mt -95.02 119.41 43.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.08 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.3 t -111.81 117.78 56.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.506 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.556 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -93.99 107.92 3.6 Favored Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 176.67 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 22.2 p -89.06 30.2 0.97 Allowed 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -173.087 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.46 -74.66 2.49 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.422 178.131 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -137.75 -68.75 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.872 0.368 . . . . 0.0 110.68 -178.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -81.62 137.0 35.53 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.105 179.339 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.682 HG13 ' HB ' ' A' ' 99' ' ' THR . 87.4 t -74.34 122.52 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.083 0.468 . . . . 0.0 110.837 -178.213 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 77.6 t90 -98.58 128.53 44.93 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.903 178.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 64.3 mt -91.41 116.88 33.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.401 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.01 155.66 71.53 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.222 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.458 ' HD2' HD23 ' A' ' 86' ' ' LEU . 85.2 Cg_exo -49.07 141.78 21.92 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.926 2.417 . . . . 0.0 112.344 177.08 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 75.8 mtt85 -50.03 -50.23 48.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.488 -175.325 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -77.5 -21.4 52.83 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.519 -176.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.458 HD23 ' HD2' ' A' ' 83' ' ' PRO . 55.1 tp -75.64 -39.83 57.15 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 175.178 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -59.76 -47.84 84.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.757 174.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.41 -41.33 98.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.735 178.573 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.484 ' O ' HG23 ' A' ' 93' ' ' VAL . . . -56.53 -49.2 75.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.85 -53.55 56.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.388 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -65.0 -26.67 68.39 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.707 0.289 . . . . 0.0 111.544 -177.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.89 -29.32 75.03 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.815 176.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 89' ' ' ALA . 5.6 t -94.68 16.51 1.86 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-O 121.145 0.498 . . . . 0.0 109.823 179.147 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.469 ' HB3' ' O ' ' A' ' 93' ' ' VAL . 8.8 t30 80.12 -13.49 0.94 Allowed 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.428 177.685 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 43.1 t -68.6 105.55 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.136 0.493 . . . . 0.0 110.958 -178.126 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 66.3 t -76.74 113.2 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.625 179.097 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 63.6 tp -80.02 116.84 20.38 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.643 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -118.68 112.34 19.68 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.305 178.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.682 ' HB ' HG13 ' A' ' 79' ' ' VAL . 7.6 p -97.55 118.17 33.45 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.518 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.556 ' O ' ' HA2' ' A' ' 74' ' ' GLY . 49.2 tpp -141.46 163.45 32.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.339 -173.444 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -65.4 140.64 58.66 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 171.126 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.54 ' O ' HG13 ' A' ' 106' ' ' ILE . 19.9 m -55.04 -45.4 75.21 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -172.426 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -54.17 -68.27 1.74 Allowed Glycine 0 CA--C 1.525 0.671 0 C-N-CA 121.269 -0.491 . . . . 0.0 113.48 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.19 -36.16 84.92 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.509 2.139 . . . . 0.0 112.277 176.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.76 -39.83 90.21 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 120.768 0.318 . . . . 0.0 111.064 178.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.54 HG13 ' O ' ' A' ' 102' ' ' THR . 76.5 mt -58.31 -45.67 89.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.281 176.09 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -67.71 -40.63 84.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.8 m -57.87 -46.44 84.85 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.2 0.524 . . . . 0.0 110.047 176.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -62.16 -46.73 87.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.814 177.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -53.07 -45.52 68.17 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.712 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 66.4 mt -71.02 -48.81 53.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.828 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 46.2 tpp -65.87 -36.38 83.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.95 -174.041 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.417 HD11 ' HA ' ' A' ' 39' ' ' PRO . 11.2 tp -67.43 -24.65 31.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.775 0.321 . . . . 0.0 111.123 -176.532 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -96.13 -16.79 36.84 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.104 178.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -88.48 -63.75 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.95 0.405 . . . . 0.0 111.071 -177.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.449 ' O ' ' HB2' ' A' ' 117' ' ' ARG . 15.6 ttm180 -128.27 -22.03 3.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.062 -172.185 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' A' ' 116' ' ' ARG . 84.0 mtt85 66.05 -142.78 0.18 Allowed 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 -171.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 63.72 21.57 12.74 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.259 0.552 . . . . 0.0 110.756 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 9.3 p -126.73 140.15 49.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.554 -175.248 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -121.91 137.47 54.77 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.345 174.495 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.552 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -113.36 110.39 20.26 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.076 0.465 . . . . 0.0 111.337 -176.28 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -97.25 95.09 7.48 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 173.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 96.0 mt -104.76 120.91 42.48 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.562 -171.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 55.3 mt -109.26 142.83 20.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.455 176.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -92.53 177.8 6.01 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 176.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 30.5 m . . . . . 0 C--N 1.324 -0.521 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 178.276 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 . . . . . 0 C--O 1.231 0.126 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.1 33.65 0.21 Allowed 'Trans proline' 0 N--CA 1.478 0.606 0 C-N-CA 123.383 2.722 . . . . 0.0 114.115 -173.259 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 54.23 40.3 31.57 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.4 0.619 . . . . 0.0 110.675 177.007 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.0 t -90.2 143.36 26.84 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.594 -178.162 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.38 5.17 9.66 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.573 176.529 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.57 107.14 19.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.973 -178.008 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.514 HD12 HG23 ' A' ' 106' ' ' ILE . 68.2 mt -76.89 108.0 9.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 173.244 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.566 ' HB3' ' HA ' ' A' ' 26' ' ' PHE . 16.0 t70 -63.99 -60.63 3.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.282 -172.676 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.413 ' HB3' ' HD2' ' A' ' 25' ' ' TYR . . . -145.62 159.1 43.64 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 -178.472 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.473 ' OH ' HG22 ' A' ' 126' ' ' VAL . 75.7 t80 -114.3 115.29 27.16 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 175.1 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.89 -170.8 16.06 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.476 -0.868 . . . . 0.0 112.471 -175.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -89.46 119.8 30.22 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.76 -14.39 29.43 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.688 -176.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 152.25 -171.84 31.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.792 177.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -76.23 157.42 32.64 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.784 0.326 . . . . 0.0 110.781 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.413 ' HD2' ' HB3' ' A' ' 18' ' ' ALA . 86.9 t80 -137.36 131.66 32.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.986 -178.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.566 ' HA ' ' HB3' ' A' ' 17' ' ' ASP . 42.9 p90 -142.49 177.22 8.43 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 171.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.77 103.89 0.3 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.948 0.404 . . . . 0.0 111.19 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 121.18 -99.72 0.71 Allowed Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.246 179.346 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.671 ' HG2' HE21 ' A' ' 32' ' ' GLN . 26.8 ttt -89.47 152.47 21.44 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.698 0.285 . . . . 0.0 110.485 -176.022 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.7 p -158.56 -171.79 3.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.133 -177.295 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 64.4 t60 69.29 24.81 5.79 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 122.133 0.968 . . . . 0.0 109.714 -178.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.671 HE21 ' HG2' ' A' ' 29' ' ' MET . 58.1 mt-30 -93.69 106.59 18.55 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.403 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.04 -42.74 7.45 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.917 -0.659 . . . . 0.0 113.198 -174.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.497 ' OG ' ' HB3' ' A' ' 45' ' ' TRP . 22.7 t -114.33 115.8 27.95 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -178.228 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.451 HD21 ' HB3' ' A' ' 32' ' ' GLN . 86.7 mt -132.52 137.29 47.11 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.223 0.535 . . . . 0.0 111.699 -176.639 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.485 HD23 ' HD2' ' A' ' 60' ' ' ARG . 56.7 tp -106.25 100.63 10.15 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.404 -0.816 . . . . 0.0 108.87 174.039 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.506 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 90.0 m-85 -83.11 102.68 11.99 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.534 -178.035 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.441 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 80.1 mt -89.3 152.05 47.22 Favored Pre-proline 0 C--N 1.319 -0.723 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 174.042 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 38' ' ' LEU . 15.0 Cg_exo -69.98 39.17 0.28 Allowed 'Trans proline' 0 CA--C 1.534 0.493 0 C-N-CA 123.368 2.712 . . . . 0.0 113.482 -175.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -170.2 -35.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.93 0.395 . . . . 0.0 110.726 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -146.57 146.74 30.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -178.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 37.7 t -97.58 126.71 50.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.066 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 99.7 m95 -119.59 152.57 36.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.832 0.349 . . . . 0.0 110.961 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -84.38 127.1 7.94 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.499 175.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.497 ' HB3' ' OG ' ' A' ' 34' ' ' SER . 2.3 t90 -93.64 152.04 19.26 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 -177.077 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -97.89 16.96 19.3 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.624 0.726 . . . . 0.0 111.152 -172.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.565 HG13 ' HB2' ' A' ' 52' ' ' GLN . 90.0 t -114.55 95.6 3.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.302 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.0 m -89.31 -30.39 18.47 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.019 0.438 . . . . 0.0 111.018 -176.469 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 54.6 mtmt -113.53 133.79 22.11 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 176.037 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 49' ' ' LYS . 31.6 Cg_exo -59.39 174.6 1.01 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.144 2.563 . . . . 0.0 113.155 -178.088 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 75.95 -7.82 1.73 Allowed 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.004 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.565 ' HB2' HG13 ' A' ' 47' ' ' VAL . 46.9 mt-30 -93.92 23.24 5.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.193 0.52 . . . . 0.0 110.101 175.098 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 59.2 mt -86.78 102.11 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.733 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -132.3 172.73 12.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.322 -175.22 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.9 mtp85 -53.94 -37.26 63.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.146 176.287 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -63.49 -44.54 94.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.693 176.601 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -68.24 -34.1 75.59 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.168 -177.389 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.4 mt -99.75 15.04 28.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.332 -176.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -60.47 -35.31 75.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.824 0.345 . . . . 0.0 110.888 -176.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.485 ' HD2' HD23 ' A' ' 36' ' ' LEU . 39.6 ttm-85 -66.66 -30.32 70.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.391 178.688 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.51 HG11 HD22 ' A' ' 71' ' ' LEU . 77.2 t -66.73 -39.23 83.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.017 178.151 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -64.82 -34.73 79.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.83 176.453 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -75.37 -44.13 46.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.429 -178.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -92.07 23.52 3.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.68 0.276 . . . . 0.0 111.17 -178.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.05 -23.82 64.05 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -176.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -76.53 -0.99 25.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.71 0.291 . . . . 0.0 111.258 -178.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -126.08 5.14 7.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.913 0.387 . . . . 0.0 110.573 177.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.6 mt -119.43 111.81 34.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.084 -176.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.447 ' HB2' ' HE ' ' A' ' 118' ' ' ARG . 23.2 t70 -95.17 -52.26 4.27 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.266 174.138 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.0 m -112.68 133.04 54.91 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.235 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.51 HD22 HG11 ' A' ' 61' ' ' VAL . 64.3 tp -113.75 100.59 8.58 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 177.334 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 65.7 mt -91.64 117.72 35.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.147 -0.478 . . . . 0.0 109.967 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 40.0 t -107.99 115.37 48.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.322 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.568 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -93.06 101.09 2.73 Favored Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 178.468 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.601 HG21 ' HB3' ' A' ' 80' ' ' TRP . 33.6 p -94.54 40.25 1.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -172.222 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.43 -138.14 15.56 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.522 176.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -101.87 10.24 39.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.982 0.42 . . . . 0.0 110.789 -177.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -131.27 149.27 52.64 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.973 -177.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.8 t -84.95 108.61 17.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.905 0.384 . . . . 0.0 110.517 -179.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.601 ' HB3' HG21 ' A' ' 75' ' ' THR . 80.4 t90 -91.85 120.7 32.79 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 65.6 mt -87.45 117.43 31.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.369 -177.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.63 131.13 80.27 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.503 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -54.09 143.9 60.47 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 123.013 2.475 . . . . 0.0 112.001 178.359 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.644 ' HG2' HH21 ' A' ' 87' ' ' ARG . 68.3 mtm-85 -62.45 -30.54 71.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.439 -175.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -62.09 -50.43 71.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.022 0.439 . . . . 0.0 110.496 175.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.2 tp -66.49 -42.61 87.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.7 -179.346 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.644 HH21 ' HG2' ' A' ' 84' ' ' ARG . 63.1 ttp85 -64.66 -45.16 87.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.226 -178.131 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -65.6 -35.3 80.42 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.38 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.578 ' O ' HG23 ' A' ' 93' ' ' VAL . . . -59.92 -52.44 65.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.507 177.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.648 HD12 HD22 ' A' ' 97' ' ' LEU . 97.2 mt -61.44 -39.29 90.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.49 177.728 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -59.69 -38.9 82.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.411 178.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -69.56 -23.54 76.57 Favored Glycine 0 N--CA 1.452 -0.262 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.402 178.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 89' ' ' ALA . 17.3 t -86.4 7.79 2.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-O 121.464 0.65 . . . . 0.0 109.535 177.785 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 66.8 t30 74.93 13.1 3.41 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.819 178.092 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 57.8 t -96.72 113.22 30.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.098 178.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.4 t -77.04 103.23 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.927 0.394 . . . . 0.0 110.284 178.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.648 HD22 HD12 ' A' ' 90' ' ' LEU . 68.1 tp -77.89 124.59 28.19 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.836 -178.575 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -136.8 116.57 13.07 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.843 178.252 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.45 HG21 ' O ' ' A' ' 80' ' ' TRP . 6.1 m -101.71 138.08 39.17 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.429 -178.2 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.568 ' O ' ' HA2' ' A' ' 74' ' ' GLY . 48.3 ttm -154.57 158.75 40.24 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -176.551 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -65.53 144.55 56.93 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 174.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.481 ' O ' HG13 ' A' ' 106' ' ' ILE . 22.7 m -53.27 -40.92 65.03 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -172.72 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.58 -67.29 2.29 Favored Glycine 0 CA--C 1.522 0.503 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.631 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.424 ' HB2' ' SD ' ' A' ' 100' ' ' MET . 35.5 Cg_exo -58.64 -25.93 77.14 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.751 2.301 . . . . 0.0 112.592 176.214 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.98 -40.68 91.41 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.679 0.275 . . . . 0.0 110.857 177.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.514 HG23 HD12 ' A' ' 16' ' ' ILE . 86.2 mt -61.87 -42.42 94.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.266 0.555 . . . . 0.0 109.603 174.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.416 ' O ' HG13 ' A' ' 111' ' ' ILE . 28.5 tpt180 -57.96 -55.35 36.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.049 177.54 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.2 p -66.59 -42.11 87.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.753 -176.328 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.401 ' O ' HG12 ' A' ' 113' ' ' ILE . 61.8 t80 -59.57 -43.56 93.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.751 0.31 . . . . 0.0 110.684 178.18 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -61.39 -37.59 83.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.597 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 107' ' ' ARG . 75.7 mt -72.2 -40.22 65.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.052 0.453 . . . . 0.0 110.729 178.616 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.408 ' HA ' ' HB3' ' A' ' 115' ' ' GLU . 51.5 mtt -70.82 -4.2 22.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.238 -177.806 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 109' ' ' TYR . 44.4 mm -67.68 -56.05 14.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 175.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -77.15 -12.38 84.67 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.806 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.408 ' HB3' ' HA ' ' A' ' 112' ' ' MET . 34.3 tt0 -94.12 -56.57 2.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.834 0.349 . . . . 0.0 111.431 178.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 116' ' ' ARG . 3.4 tpp85 -101.95 -63.76 1.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.871 -170.353 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 117' ' ' ARG . 12.2 ttp180 62.1 18.48 10.06 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.786 0.803 . . . . 0.0 110.028 -172.197 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.447 ' HE ' ' HB2' ' A' ' 69' ' ' ASP . 36.3 ttt85 -133.47 37.02 3.35 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 176.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 4.8 p -119.73 130.16 74.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 114.505 -1.225 . . . . 0.0 110.317 -177.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -103.54 126.8 50.91 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 177.527 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.506 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -113.32 109.65 19.06 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.135 0.493 . . . . 0.0 111.391 -176.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -89.06 95.5 10.34 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 173.162 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 81.7 mt -105.83 117.98 35.41 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.212 -172.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 64.8 mt -104.76 123.91 59.05 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.505 175.28 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.0 140.84 51.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.207 176.096 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.473 HG22 ' OH ' ' A' ' 19' ' ' TYR . 34.4 m . . . . . 0 C--N 1.325 -0.466 0 CA-C-O 120.911 0.386 . . . . 0.0 111.235 -176.209 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -72.71 16.82 0.39 Allowed 'Trans proline' 0 N--CA 1.473 0.316 0 C-N-CA 122.907 2.405 . . . . 0.0 113.862 -172.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.1 ttt85 57.25 80.38 0.16 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.743 0.783 . . . . 0.0 109.96 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.7 m -90.18 112.42 23.91 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.251 -171.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.433 ' HB1' HG21 ' A' ' 113' ' ' ILE . . . -94.39 -4.98 47.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.217 -179.183 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -151.45 126.99 10.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.965 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.549 ' H ' HD12 ' A' ' 16' ' ' ILE . 3.8 mp -64.06 132.51 29.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 176.145 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -81.15 -41.0 23.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.608 0.242 . . . . 0.0 110.859 -174.219 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.41 ' HB3' ' HD2' ' A' ' 25' ' ' TYR . . . -165.02 174.17 10.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.72 177.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -137.0 123.42 20.78 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 176.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.58 135.45 7.86 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.272 -0.966 . . . . 0.0 112.864 -175.156 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm 64.9 -90.87 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 123.277 0.631 . . . . 0.0 110.404 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.05 37.77 0.93 Allowed Glycine 0 N--CA 1.445 -0.761 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.587 ' HA3' ' HG2' ' A' ' 32' ' ' GLN . . . -151.97 158.6 27.88 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.957 -0.64 . . . . 0.0 111.874 -179.259 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -91.5 144.32 25.68 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.996 0.427 . . . . 0.0 110.186 -177.378 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.41 ' HD2' ' HB3' ' A' ' 18' ' ' ALA . 55.9 t80 -121.4 131.91 54.45 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.009 179.521 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -134.15 177.18 7.94 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.53 178.331 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.22 98.76 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.436 0.46 . . . . 0.0 110.936 178.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 137.61 -75.64 0.38 Allowed Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.272 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 24.1 ttt -147.84 158.48 44.05 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 -176.451 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.1 t -97.89 151.9 19.77 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 177.108 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -143.83 128.0 17.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.93 0.395 . . . . 0.0 110.819 176.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.587 ' HG2' ' HA3' ' A' ' 23' ' ' GLY . 52.8 mt-30 -91.27 162.99 14.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.765 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.39 -99.62 1.88 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.376 178.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.5 t -152.91 143.47 22.68 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -178.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 90.7 mt -126.84 137.85 53.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.793 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.659 ' HG ' ' HB2' ' A' ' 45' ' ' TRP . 91.6 mt -101.53 107.45 18.74 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.321 179.452 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.541 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 87.2 m-85 -89.0 99.58 12.54 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.633 177.675 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.2 mt -98.22 162.11 23.13 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.212 -178.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.84 -15.2 36.66 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.87 2.38 . . . . 0.0 113.074 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -95.7 -58.24 2.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.985 0.421 . . . . 0.0 110.525 178.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -157.72 -179.59 8.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.668 -177.173 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.6 t -100.65 130.16 50.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.346 -179.287 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -123.36 178.03 5.34 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.279 178.178 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -103.38 144.25 15.93 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.615 -0.802 . . . . 0.0 111.896 179.12 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.659 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 4.0 t90 -111.83 132.91 54.38 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.563 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -81.21 4.42 20.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.912 0.863 . . . . 0.0 111.391 -173.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.488 HG21 ' HB3' ' A' ' 57' ' ' SER . 58.2 t -93.99 88.8 2.43 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.231 176.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.4 p -82.78 -7.69 59.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.987 -173.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.442 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 98.1 mttt -135.9 139.43 30.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.462 -178.586 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.499 ' O ' ' HB3' ' A' ' 51' ' ' GLU . 21.1 Cg_exo -65.45 177.82 2.47 Favored 'Trans proline' 0 C--O 1.237 0.457 0 C-N-CA 122.847 2.365 . . . . 0.0 111.943 177.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.565 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 31.3 tt0 75.18 -44.15 0.53 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.199 0.599 . . . . 0.0 111.819 179.458 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -78.82 33.89 0.22 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.072 0.463 . . . . 0.0 111.56 -176.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 62.5 mt -103.06 118.86 50.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.181 -178.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -137.56 -170.94 2.86 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 178.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -56.28 -40.73 74.73 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.154 0.502 . . . . 0.0 110.826 178.164 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -63.47 -37.18 86.3 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.869 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.488 ' HB3' HG21 ' A' ' 47' ' ' VAL . 2.5 m -71.41 -34.65 70.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.385 0.612 . . . . 0.0 110.02 178.697 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.1 mt -94.58 15.47 17.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.073 -178.153 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -58.07 -40.34 80.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.049 0.452 . . . . 0.0 110.537 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -66.5 -27.58 67.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.187 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.8 t -79.8 -43.26 22.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.526 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -57.95 -34.9 70.41 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.591 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -63.83 -42.15 97.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.794 0.331 . . . . 0.0 111.115 179.128 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -103.27 22.91 13.28 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.444 0.64 . . . . 0.0 110.209 -177.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.86 -17.17 64.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.13 -175.066 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -85.93 -1.5 57.36 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.754 0.311 . . . . 0.0 111.015 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -119.14 -5.36 10.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.069 0.461 . . . . 0.0 110.592 177.274 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.8 mt -109.73 107.55 23.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.481 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -79.63 -67.94 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.48 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.459 ' O ' ' HA ' ' A' ' 119' ' ' VAL . 30.1 m -104.52 139.77 38.93 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.954 178.696 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.8 tp -125.59 105.37 8.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.762 0.315 . . . . 0.0 110.226 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 73.0 mt -92.26 117.28 35.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.162 0.506 . . . . 0.0 110.148 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.8 t -106.41 121.11 58.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.355 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.535 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -96.96 108.65 3.7 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 177.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.596 HG21 ' HB3' ' A' ' 80' ' ' TRP . 34.0 p -86.37 14.35 6.78 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.119 0.485 . . . . 0.0 111.909 -175.442 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.37 -110.29 3.33 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.843 176.107 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.95 -63.24 1.29 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.796 0.332 . . . . 0.0 111.337 -175.041 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -87.44 162.31 17.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.064 -178.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.3 p -99.23 121.58 50.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.365 0.602 . . . . 0.0 111.409 -177.207 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.596 ' HB3' HG21 ' A' ' 75' ' ' THR . 58.1 t90 -94.77 122.78 37.73 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.28 174.721 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 66.9 mt -87.59 106.56 16.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.948 0.404 . . . . 0.0 110.015 -177.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.422 ' HA ' ' HD3' ' A' ' 83' ' ' PRO . . . -57.14 126.02 72.3 Favored Pre-proline 0 C--O 1.235 0.332 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.668 177.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 82' ' ' ALA . 42.9 Cg_exo -57.27 147.04 79.18 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 123.1 2.533 . . . . 0.0 112.482 -177.49 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 17.3 mtm180 -55.51 -44.0 76.19 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.084 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -57.1 -51.43 69.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.013 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.1 tp -65.49 -40.27 92.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.609 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -65.69 -40.6 92.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.557 -178.178 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -65.05 -43.18 93.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.635 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.45 -36.04 77.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.065 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.427 ' HB3' ' HB ' ' A' ' 95' ' ' VAL . 91.4 mt -68.84 -48.64 62.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.986 178.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 62.0 mtp180 -71.02 -18.23 62.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.958 -178.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.25 -26.22 70.35 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 174.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.485 ' O ' ' HB2' ' A' ' 94' ' ' ASN . 40.1 t -94.32 -56.45 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 176.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.485 ' HB2' ' O ' ' A' ' 93' ' ' VAL . 0.2 OUTLIER 170.96 -29.39 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.154 -177.495 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.427 ' HB ' ' HB3' ' A' ' 90' ' ' LEU . 57.4 t -63.79 111.79 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -170.184 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.0 t -93.96 96.6 6.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 173.134 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.2 tt -80.28 130.56 35.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.428 -178.288 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -127.05 127.48 44.79 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.467 177.428 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.497 HG21 ' O ' ' A' ' 80' ' ' TRP . 6.5 m -97.23 124.42 41.31 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.94 -175.427 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.535 ' O ' ' HA2' ' A' ' 74' ' ' GLY . 87.9 mmm -138.85 167.73 21.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.282 -177.711 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -84.98 157.75 20.7 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 173.021 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.409 ' O ' HG13 ' A' ' 106' ' ' ILE . 11.8 m -50.74 -45.24 58.66 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -175.205 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -59.93 -67.63 2.06 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 121.172 -0.537 . . . . 0.0 113.057 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -57.42 -27.31 75.38 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.781 2.321 . . . . 0.0 112.997 179.35 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.68 -50.42 64.97 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.742 -0.208 . . . . 0.0 110.741 177.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 102' ' ' THR . 78.2 mt -61.82 -37.01 77.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 120.968 0.413 . . . . 0.0 110.367 178.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -59.94 -58.44 8.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.483 178.239 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.1 m -60.76 -37.44 81.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.755 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.527 ' O ' HG12 ' A' ' 113' ' ' ILE . 84.7 t80 -55.42 -55.72 28.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.586 178.549 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -55.9 -38.67 70.53 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.762 -178.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 72.1 mt -65.05 -51.29 68.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.297 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 89.8 mtp -72.6 -31.9 65.55 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.592 -175.198 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.67 ' HA ' ' HG2' ' A' ' 117' ' ' ARG . 45.1 mm -72.0 -23.77 22.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.042 0.449 . . . . 0.0 110.456 178.654 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -68.28 -9.1 56.96 Favored Glycine 0 CA--C 1.52 0.371 0 CA-C-N 115.863 -0.608 . . . . 0.0 113.218 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -121.62 -90.62 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 177.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -103.03 -26.66 12.99 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -167.32 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.67 ' HG2' ' HA ' ' A' ' 113' ' ' ILE . 31.6 mtm-85 62.01 76.5 0.36 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.091 0.472 . . . . 0.0 111.375 -176.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 23.9 mtp180 -111.83 24.37 12.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.371 0.605 . . . . 0.0 109.807 176.216 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.459 ' HA ' ' O ' ' A' ' 70' ' ' THR . 7.1 p -136.55 135.05 49.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.083 -174.21 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -104.09 142.77 33.89 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 172.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.541 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -116.21 124.31 49.95 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.947 0.404 . . . . 0.0 111.578 -175.729 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -108.66 96.95 6.69 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 174.416 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.5 mt -101.98 114.37 28.42 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.347 -174.034 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 49.4 mt -100.03 146.3 9.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.68 177.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -73.17 165.26 25.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.974 0.416 . . . . 0.0 111.169 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 35.0 m . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.2 -178.605 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.427 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 91.8 m-85 . . . . . 0 CA--C 1.53 0.189 0 CA-C-O 120.921 0.391 . . . . 0.0 111.377 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 10' ' ' PHE . 60.5 Cg_endo -91.07 135.79 1.91 Allowed 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 123.243 2.629 . . . . 0.0 111.948 175.553 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 46.61 85.58 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.375 0.607 . . . . 0.0 111.555 -176.043 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.49 ' HB ' HG21 ' A' ' 42' ' ' VAL . 27.1 m -122.92 106.51 10.93 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.695 -179.442 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -113.31 19.38 17.06 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.101 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.49 117.75 31.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.839 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.451 HD12 HG23 ' A' ' 106' ' ' ILE . 62.1 mt -120.24 130.7 74.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.993 178.446 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -148.09 154.99 40.93 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 -177.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 58.42 91.61 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.952 0.782 . . . . 0.0 112.564 177.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -115.01 128.26 56.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.59 178.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 126.62 -77.82 0.39 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.548 176.222 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -68.92 99.31 1.04 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.826 0.345 . . . . 0.0 110.36 -178.182 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.4 18.44 60.48 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.077 -178.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.9 -103.33 2.45 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.133 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -121.52 116.43 24.66 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 178.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -106.48 93.65 4.71 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.242 0.544 . . . . 0.0 110.384 179.163 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -128.43 115.14 17.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.814 -178.529 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 63.86 -77.95 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.217 -0.901 . . . . 0.0 112.808 175.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.54 -72.52 0.98 Allowed Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.25 -0.5 . . . . 0.0 113.367 -173.116 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 23.8 ptp -147.77 172.14 14.58 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 122.742 -0.27 . . . . 0.0 110.924 -175.022 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.7 m -81.6 108.79 15.46 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 174.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -92.72 103.79 16.13 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.681 -0.407 . . . . 0.0 111.374 -176.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.93 113.94 16.32 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 172.648 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.592 ' HA2' HG22 ' A' ' 48' ' ' THR . . . 142.26 -176.03 22.43 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.827 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.568 ' HB3' ' O ' ' A' ' 45' ' ' TRP . 27.8 t -92.03 140.68 29.41 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.166 0.507 . . . . 0.0 110.575 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 97.9 mt -115.55 127.36 55.21 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.012 178.488 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.703 ' HB2' ' HB2' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -101.54 96.15 6.93 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.117 0.484 . . . . 0.0 109.698 -178.879 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.411 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 89.2 m-85 -78.38 93.87 4.78 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.466 177.163 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.3 mt -76.6 158.53 80.92 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.821 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.476 ' HB3' ' H ' ' A' ' 118' ' ' ARG . 17.3 Cg_exo -69.58 44.18 0.39 Allowed 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 123.286 2.657 . . . . 0.0 113.351 -178.142 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -168.67 -55.88 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -138.83 164.36 29.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.975 -178.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.49 HG21 ' HB ' ' A' ' 13' ' ' THR . 41.4 t -91.06 118.28 35.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.472 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 37.6 m95 -115.83 176.19 5.2 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.003 0.43 . . . . 0.0 110.692 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -105.76 145.98 16.01 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.9 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.703 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 11.5 t90 -134.23 112.61 11.21 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -83.28 75.25 9.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.279 0.562 . . . . 0.0 111.058 -174.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 85.7 t -138.94 90.44 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 170.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.592 HG22 ' HA2' ' A' ' 33' ' ' GLY . 1.9 p -84.87 -20.4 30.87 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.572 -175.747 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -121.47 115.55 31.11 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 120.844 0.354 . . . . 0.0 110.161 178.261 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -58.01 -24.09 63.73 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.763 2.975 . . . . 0.0 114.238 -172.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -67.41 -17.09 64.58 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.775 0.322 . . . . 0.0 111.496 -178.057 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 41.1 tp60 -97.21 15.16 23.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.09 0.471 . . . . 0.0 111.01 -176.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.447 HG22 HD21 ' A' ' 86' ' ' LEU . 70.3 mt -69.51 122.47 21.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 174.56 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -149.63 168.69 22.87 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 -176.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' A' ' 55' ' ' ARG . 50.1 mtm180 -57.94 -33.75 69.15 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.761 0.315 . . . . 0.0 110.748 178.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -62.63 -45.07 94.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.689 176.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.4 m -72.01 -30.13 64.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.101 0.477 . . . . 0.0 110.54 179.325 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.9 mt -86.9 5.01 39.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.411 -178.667 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -58.07 -34.18 69.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.198 0.523 . . . . 0.0 110.376 179.164 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -69.36 -20.41 63.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.225 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.1 t -90.88 -45.16 14.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.323 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -55.82 -36.79 67.85 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.203 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -63.08 -26.02 68.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.471 -177.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -119.23 29.37 7.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.896 -176.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.51 -31.23 69.19 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 112.242 -176.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -63.24 -34.42 77.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.186 0.517 . . . . 0.0 111.101 178.409 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.59 -23.79 23.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.979 -178.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.9 mt -102.07 99.11 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.286 -176.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.489 ' HB2' ' CZ ' ' A' ' 118' ' ' ARG . 6.5 t70 -87.5 -54.58 4.2 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.117 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.6 m -106.47 119.72 40.02 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.606 -178.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.9 tp -112.31 106.81 15.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.319 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 59.6 mt -94.83 125.12 47.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.775 178.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 79.0 t -112.82 130.35 66.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.486 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -111.62 100.62 1.21 Allowed Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.484 -0.646 . . . . 0.0 111.484 177.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.8 p -71.48 -42.47 68.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.029 0.442 . . . . 0.0 111.792 -176.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.22 -59.59 1.38 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.695 -0.764 . . . . 0.0 113.015 175.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.18 -67.64 0.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.911 0.386 . . . . 0.0 110.844 -178.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -150.61 172.49 15.44 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 175.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 44.7 t -73.76 93.41 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.137 0.494 . . . . 0.0 110.345 -179.102 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 81.2 t90 -88.17 112.43 22.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.734 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 47.7 mt -93.03 116.21 33.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.444 -177.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.29 148.73 95.58 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.238 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.95 152.39 29.6 Favored 'Trans proline' 0 C--O 1.239 0.543 0 C-N-CA 123.009 2.473 . . . . 0.0 112.58 177.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -61.47 -41.6 97.49 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.429 -175.118 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -51.99 -45.84 64.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.038 0.447 . . . . 0.0 110.807 -178.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.447 HD21 HG22 ' A' ' 53' ' ' ILE . 52.8 tp -73.15 -47.03 47.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.988 -178.594 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.491 ' HG3' HD23 ' A' ' 97' ' ' LEU . 62.2 ttt180 -66.94 -39.48 87.33 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.059 0.457 . . . . 0.0 111.106 -176.284 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -71.85 -30.97 66.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.536 -178.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.98 -41.61 99.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.948 0.404 . . . . 0.0 110.216 176.234 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.47 -48.17 78.78 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.931 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 59.5 ttp85 -74.64 -20.94 59.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.698 -177.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -68.35 -23.04 75.0 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.142 -0.552 . . . . 0.0 111.737 175.237 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 46.4 t -86.33 -80.0 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 173.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -175.45 21.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.354 176.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 47.4 t -110.44 116.29 51.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.869 0.366 . . . . 0.0 110.932 -174.316 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 65.7 t -87.11 110.39 20.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.198 177.464 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.491 HD23 ' HG3' ' A' ' 87' ' ' ARG . 48.4 tp -85.71 107.21 17.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.606 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -108.72 101.48 10.6 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.288 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.4 m -102.51 119.24 38.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.575 -173.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 70.7 mtm -138.89 -172.37 3.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.747 178.086 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -81.56 160.58 23.82 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 173.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.431 ' O ' HG13 ' A' ' 106' ' ' ILE . 3.1 m -57.58 -39.46 76.83 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 -175.148 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -53.26 -69.05 1.33 Allowed Glycine 0 CA--C 1.522 0.514 0 C-N-CA 121.228 -0.51 . . . . 0.0 113.031 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -57.71 -32.57 95.0 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.856 2.371 . . . . 0.0 112.646 177.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.64 -48.8 77.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.65 0.262 . . . . 0.0 110.846 178.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.451 HG23 HD12 ' A' ' 16' ' ' ILE . 81.4 mt -57.94 -48.7 83.39 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.135 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.239 177.317 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 107' ' ' ARG . 42.9 ttt-85 -56.61 -51.2 69.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.027 -179.399 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.5 m -61.96 -46.18 90.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.169 -178.005 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -66.95 -45.72 76.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.926 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -57.98 -31.54 67.01 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.049 -176.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 79.5 mt -84.12 -53.09 11.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 177.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.538 ' HA ' ' OE1' ' A' ' 115' ' ' GLU . 38.5 ttp -72.21 -15.99 61.95 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -170.637 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 11.1 tp -74.61 -17.75 16.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.254 0.55 . . . . 0.0 109.641 174.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -72.24 -18.84 78.32 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.736 177.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.538 ' OE1' ' HA ' ' A' ' 112' ' ' MET . 0.4 OUTLIER -63.73 -69.71 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 175.676 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.544 ' HG3' ' H ' ' A' ' 117' ' ' ARG . 7.3 ptp180 -163.96 -74.35 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 176.612 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.544 ' H ' ' HG3' ' A' ' 116' ' ' ARG . 15.0 ptm180 178.86 -166.04 0.06 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 117.737 0.244 . . . . 0.0 111.157 -175.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.557 ' HG3' ' O ' ' A' ' 118' ' ' ARG . 0.0 OUTLIER 75.28 15.94 2.78 Favored 'General case' 0 C--O 1.245 0.822 0 CA-C-O 123.161 1.458 . . . . 0.0 110.873 -179.737 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 5.4 p -117.38 132.61 66.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-N 113.419 -1.719 . . . . 0.0 108.757 171.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -118.17 147.53 43.26 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.241 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.411 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -127.62 114.71 17.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.946 0.403 . . . . 0.0 110.99 -178.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -97.04 95.17 7.61 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 174.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 79.4 mt -98.33 107.84 20.4 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.553 -176.283 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 60.8 mt -90.02 117.76 33.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.238 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.427 ' HB3' ' H ' ' A' ' 33' ' ' GLY . . . -80.77 128.02 33.18 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 172.035 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 15.4 m . . . . . 0 C--N 1.323 -0.556 0 CA-C-O 120.939 0.4 . . . . 0.0 110.715 -178.346 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.675 ' HZ ' ' HA3' ' A' ' 28' ' ' GLY . 84.4 m-85 . . . . . 0 N--CA 1.465 0.3 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -97.38 105.79 0.08 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 123.651 2.901 . . . . 0.0 112.069 176.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 47.0 ttp180 62.6 92.23 0.06 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.406 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.7 m -102.27 144.64 30.52 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 177.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.8 -64.95 1.14 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.776 0.322 . . . . 0.0 111.195 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.9 155.01 16.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.995 0.426 . . . . 0.0 111.187 -176.171 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.4 mt -119.73 138.16 51.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.763 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.546 ' HB2' ' HA ' ' A' ' 26' ' ' PHE . 55.2 m-20 -64.99 -55.71 17.46 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 123.195 0.309 . . . . 0.0 111.49 -177.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.45 151.01 33.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.716 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -149.18 165.62 31.3 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.95 -102.76 1.42 Allowed Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.896 177.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.11 130.72 42.87 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 176.605 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.432 ' O ' ' HA ' ' A' ' 31' ' ' HIS . . . 79.53 -4.8 62.77 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.932 -0.652 . . . . 0.0 112.088 -174.355 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.43 -142.6 18.11 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 121.103 -0.57 . . . . 0.0 112.017 -178.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.47 ' HB2' ' HB2' ' A' ' 32' ' ' GLN . 94.0 m-85 -84.35 107.36 16.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.932 0.396 . . . . 0.0 110.289 176.766 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -113.67 93.65 4.48 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.994 -177.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.546 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 43.0 p90 -134.24 171.37 14.35 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.385 -178.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.4 102.79 0.57 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.059 0.457 . . . . 0.0 110.926 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.675 ' HA3' ' HZ ' ' A' ' 10' ' ' PHE . . . 151.28 -64.55 0.38 Allowed Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.933 -179.153 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 64.8 mtt -141.55 150.97 42.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.648 0.261 . . . . 0.0 110.434 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.4 p -117.01 158.74 23.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -177.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.432 ' HA ' ' O ' ' A' ' 22' ' ' GLY . 34.3 t60 58.91 78.59 0.25 Allowed 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.658 0.599 . . . . 0.0 111.182 176.655 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.47 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 43.0 mt-30 -135.26 136.34 41.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.04 -179.232 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.36 -42.22 1.65 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.858 -175.274 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.446 ' HB3' ' HB3' ' A' ' 45' ' ' TRP . 10.7 m -132.58 118.17 18.87 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.671 0.272 . . . . 0.0 110.817 -176.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 92.8 mt -126.67 136.04 51.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.985 0.421 . . . . 0.0 111.001 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.486 ' HG ' ' HB2' ' A' ' 45' ' ' TRP . 97.9 mt -101.87 101.66 12.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.789 177.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.475 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 90.1 m-85 -85.48 104.65 15.46 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.194 -179.541 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.0 mt -102.63 156.85 34.76 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.7 177.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -53.4 -26.94 37.49 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.113 2.542 . . . . 0.0 113.392 -177.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -95.46 -56.81 2.58 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.674 0.273 . . . . 0.0 111.487 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -147.02 169.61 18.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.803 0.335 . . . . 0.0 111.278 -175.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.7 t -103.56 132.3 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.725 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.459 ' HB3' HH11 ' A' ' 60' ' ' ARG . 76.7 m95 -113.87 164.51 13.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.276 178.109 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -98.15 134.33 11.68 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.535 177.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.486 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 4.3 t90 -102.63 144.87 30.48 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 -177.596 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -100.71 15.92 26.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.764 0.792 . . . . 0.0 110.65 -175.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.1 t -120.14 101.67 11.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.823 178.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.0 m -107.77 12.99 26.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.542 0.687 . . . . 0.0 110.86 -176.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.1 mttp -139.76 143.16 33.78 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.63 176.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.406 ' O ' ' HB2' ' A' ' 51' ' ' GLU . 33.4 Cg_endo -64.78 174.85 4.15 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.647 2.231 . . . . 0.0 111.33 175.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 50' ' ' PRO . 35.7 mt-10 74.09 -37.44 0.37 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.05 0.54 . . . . 0.0 111.496 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -74.61 -15.38 60.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.148 0.499 . . . . 0.0 110.589 178.453 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 54.3 mt -69.66 114.95 7.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.75 -179.184 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.94 -177.63 5.53 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.418 ' HG3' ' CE2' ' A' ' 62' ' ' PHE . 19.9 ttt180 -62.89 -38.13 89.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.533 0.206 . . . . 0.0 111.128 -179.039 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -64.07 -43.04 96.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.99 0.424 . . . . 0.0 110.7 -177.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.5 p -77.09 -13.61 59.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.207 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 86.6 mt -104.99 10.91 33.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.679 178.287 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -60.59 -29.04 68.95 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -178.176 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.459 HH11 ' HB3' ' A' ' 43' ' ' TRP . 32.8 ttm180 -69.63 -28.19 65.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.116 0.484 . . . . 0.0 109.813 176.567 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 63.5 t -78.04 -42.67 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.897 178.297 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.418 ' CE2' ' HG3' ' A' ' 55' ' ' ARG . 60.5 m-85 -62.89 -32.46 73.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 176.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -69.6 -33.89 73.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.051 0.453 . . . . 0.0 110.799 178.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -103.73 17.8 23.32 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.899 -178.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.34 -21.78 65.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.548 -176.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -59.4 -27.06 65.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.802 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -101.95 3.99 39.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.3 mt -116.57 110.17 30.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.239 0.542 . . . . 0.0 110.942 -176.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -98.44 -46.16 5.87 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.277 173.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.9 m -116.76 133.79 55.58 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.913 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 64.5 tp -123.87 111.32 15.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.974 0.416 . . . . 0.0 110.496 -179.137 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 66.6 mt -97.35 126.15 50.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.531 178.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.53 HG22 ' HB3' ' A' ' 122' ' ' ALA . 93.4 t -120.26 122.23 67.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.985 0.422 . . . . 0.0 110.996 -177.227 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -103.0 102.91 2.31 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 175.218 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.57 HG21 ' HB3' ' A' ' 80' ' ' TRP . 7.3 p -87.74 25.13 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -173.014 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 98.55 -123.7 7.96 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.997 175.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.47 -27.33 22.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.852 0.358 . . . . 0.0 111.308 -175.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -121.86 165.22 16.24 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.276 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.765 HG22 ' HA ' ' A' ' 100' ' ' MET . 58.9 t -94.85 104.12 15.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.118 178.188 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.57 ' HB3' HG21 ' A' ' 75' ' ' THR . 70.2 t90 -80.16 119.97 23.65 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 176.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.6 mm -87.26 115.48 27.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.023 -178.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.9 136.56 95.07 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.717 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -56.22 151.56 42.99 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.855 2.37 . . . . 0.0 112.109 178.345 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 84' ' ' ARG . 11.2 ttp180 -48.86 -43.6 38.95 Favored 'General case' 0 N--CA 1.463 0.219 0 O-C-N 123.474 0.484 . . . . 0.0 111.557 -178.433 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -53.98 -50.67 66.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.228 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.2 tp -77.03 -39.68 49.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.754 -177.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -59.73 -47.75 84.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.337 -178.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -73.82 -31.53 63.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.777 -177.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.14 -45.92 89.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.721 0.296 . . . . 0.0 110.718 176.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.74 -46.67 84.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.752 178.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 67.4 ttt-85 -63.64 -35.65 81.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.999 0.428 . . . . 0.0 110.654 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -63.09 -28.25 71.83 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.616 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.7 HG13 HG23 ' A' ' 95' ' ' VAL . 7.2 p -98.29 21.52 1.43 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 CA-C-O 121.526 0.679 . . . . 0.0 109.995 179.06 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.424 ' HB3' ' O ' ' A' ' 93' ' ' VAL . 9.6 t30 79.97 -7.03 1.71 Allowed 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 115.114 -0.948 . . . . 0.0 112.101 172.593 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.7 HG23 HG13 ' A' ' 93' ' ' VAL . 81.1 t -70.86 105.77 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.236 0.541 . . . . 0.0 110.825 -176.801 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.1 t -74.8 100.54 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.027 177.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 59.8 tp -79.59 125.95 30.26 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.603 -179.059 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -128.72 117.5 21.25 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 175.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.1 134.22 55.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.64 -169.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.765 ' HA ' HG22 ' A' ' 79' ' ' VAL . 1.4 pmm? -166.02 -171.58 2.05 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.386 176.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -62.67 150.89 39.74 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.322 174.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.564 ' O ' HG13 ' A' ' 106' ' ' ILE . 6.5 m -55.91 -44.56 78.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.936 -176.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.07 -64.61 4.23 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 121.203 -0.522 . . . . 0.0 113.038 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -51.78 -38.98 68.14 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.691 2.261 . . . . 0.0 112.531 175.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.36 -43.41 92.85 Favored 'General case' 0 C--O 1.232 0.169 0 O-C-N 123.356 0.41 . . . . 0.0 111.338 -179.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.564 HG13 ' O ' ' A' ' 102' ' ' THR . 71.4 mt -61.48 -40.37 86.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.111 0.481 . . . . 0.0 109.974 177.481 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.443 ' HA ' ' HD2' ' A' ' 107' ' ' ARG . 16.6 tpt180 -63.71 -48.1 78.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.925 -177.663 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.584 ' O ' ' HG2' ' A' ' 112' ' ' MET . 0.1 OUTLIER -63.88 -38.92 92.87 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.618 0.247 . . . . 0.0 111.091 178.292 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.537 ' O ' HG12 ' A' ' 113' ' ' ILE . 44.2 t80 -56.56 -40.73 75.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.571 178.176 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -63.91 -41.07 97.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.644 177.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 107' ' ' ARG . 58.2 mt -65.33 -46.01 91.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.048 -179.2 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.584 ' HG2' ' O ' ' A' ' 108' ' ' THR . 97.2 mmm -59.7 -32.33 70.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.855 -175.073 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.537 HG12 ' O ' ' A' ' 109' ' ' TYR . 48.3 mm -54.38 -32.36 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-O 121.007 0.432 . . . . 0.0 111.183 -179.188 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -115.12 39.45 2.77 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.509 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -156.54 -44.62 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.017 0.437 . . . . 0.0 110.937 178.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 116' ' ' ARG . 17.7 ttm-85 -148.03 86.36 1.57 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 177.622 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -64.05 179.72 0.51 Allowed 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 114.52 -1.218 . . . . 0.0 110.6 175.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 3.3 mpp_? 69.2 29.26 4.69 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.855 0.836 . . . . 0.0 108.891 -169.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 7.1 p -104.18 133.05 49.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.769 178.391 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -117.26 154.68 30.76 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.913 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.475 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -128.47 114.73 17.15 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.985 0.421 . . . . 0.0 111.336 -178.565 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.53 ' HB3' HG22 ' A' ' 73' ' ' VAL . . . -95.01 96.52 9.32 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 173.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 94.7 mt -108.28 122.6 47.3 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.14 0.495 . . . . 0.0 111.612 -172.05 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 57.3 mt -104.59 134.65 45.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.239 -0.891 . . . . 0.0 108.792 172.287 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.62 143.94 56.77 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.916 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 58.3 t . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.022 178.129 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.439 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 98.3 m-85 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 10' ' ' PHE . 3.0 Cg_exo -76.02 63.47 6.83 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 123.027 2.485 . . . . 0.0 111.911 179.425 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.687 ' HG2' ' HA ' ' A' ' 40' ' ' ASP . 99.9 mtt180 54.76 74.46 0.35 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.46 0.648 . . . . 0.0 110.708 -177.526 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.8 m -113.66 103.8 11.6 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.892 -176.621 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -105.86 83.92 1.99 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.692 176.301 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -151.34 120.97 6.95 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 -177.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.8 mt -103.16 112.46 36.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 176.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.568 ' HB2' ' HA ' ' A' ' 26' ' ' PHE . 23.0 m-20 -80.84 -68.75 0.66 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.437 -176.199 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.433 ' HB3' ' HB3' ' A' ' 25' ' ' TYR . . . -126.15 144.66 50.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.182 0.515 . . . . 0.0 111.501 -178.216 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -140.9 136.34 32.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.779 175.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 133.2 -58.67 0.69 Allowed Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.265 175.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.442 ' HE3' ' HB2' ' A' ' 21' ' ' LYS . 36.6 ttmt -84.51 114.15 21.74 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 120.901 0.381 . . . . 0.0 110.415 -178.601 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.97 48.24 74.53 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.474 -178.067 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.74 -131.55 10.83 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.784 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -100.52 150.7 22.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.899 0.38 . . . . 0.0 110.773 178.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.566 ' HD1' ' HA ' ' A' ' 30' ' ' SER . 62.3 t80 -142.17 117.89 10.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.788 174.252 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.568 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 26.6 p90 -142.6 171.99 13.31 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 177.125 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.57 90.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.16 0.505 . . . . 0.0 111.327 178.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 149.46 -43.16 0.78 Allowed Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.959 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.507 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . 24.3 mmt -135.53 127.53 29.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.007 0.432 . . . . 0.0 110.407 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.566 ' HA ' ' HD1' ' A' ' 25' ' ' TYR . 37.3 p -106.47 112.43 25.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.217 -177.736 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 69.05 90.79 0.09 Allowed 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.888 0.743 . . . . 0.0 112.082 176.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -143.1 138.0 29.55 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.017 173.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.518 ' HA3' HG23 ' A' ' 48' ' ' THR . . . -90.22 1.64 80.15 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.959 -177.58 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.481 ' HB2' ' HB2' ' A' ' 45' ' ' TRP . 8.5 p -157.33 117.23 3.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.92 0.391 . . . . 0.0 111.492 -178.497 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 97.0 mt -130.58 146.14 52.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.052 -178.182 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.5 mt -113.08 96.88 6.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.42 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.427 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 86.4 m-85 -83.82 93.49 7.99 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.024 179.099 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.474 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 82.7 mt -90.63 160.47 38.77 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.644 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -53.15 -31.73 56.32 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.089 2.526 . . . . 0.0 113.919 -176.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.687 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 6.2 m-20 -105.07 -46.8 4.16 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -178.133 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.474 ' O ' ' HB2' ' A' ' 38' ' ' LEU . . . -137.96 153.33 49.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.145 0.498 . . . . 0.0 111.748 -175.411 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.7 t -94.88 122.68 46.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.064 177.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 20.3 m95 -107.76 178.47 4.52 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.92 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -132.03 150.72 19.65 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.215 -0.993 . . . . 0.0 112.847 -176.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.481 ' HB2' ' HB2' ' A' ' 34' ' ' SER . 1.4 m0 -110.7 -166.4 1.08 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -140.31 22.36 2.38 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 171.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.481 ' O ' ' HB3' ' A' ' 34' ' ' SER . 45.2 t -101.6 91.69 2.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 114.639 -1.164 . . . . 0.0 110.163 -175.283 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.518 HG23 ' HA3' ' A' ' 33' ' ' GLY . 8.5 m -95.68 -14.14 23.68 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.292 0.568 . . . . 0.0 110.753 -177.455 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.436 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 46.7 mtmt -103.4 125.03 36.14 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.077 177.315 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 49' ' ' LYS . 34.2 Cg_exo -60.62 173.42 2.14 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 123.172 2.581 . . . . 0.0 112.586 179.645 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.41 ' HB3' ' O ' ' A' ' 50' ' ' PRO . 44.0 tt0 74.37 -29.51 0.2 Allowed 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.443 0.697 . . . . 0.0 111.83 -179.375 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -78.05 22.31 0.3 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.958 0.409 . . . . 0.0 111.62 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.1 mt -81.8 78.64 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 175.116 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -101.62 168.83 9.23 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.858 -177.369 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 -58.64 -30.51 67.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.978 0.418 . . . . 0.0 110.079 177.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -61.95 -30.33 70.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.064 177.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.7 t -92.06 -24.37 19.19 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.162 0.506 . . . . 0.0 110.053 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.6 mt -86.8 15.1 6.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.576 -177.371 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.412 ' HA ' ' OE1' ' A' ' 59' ' ' GLN . 13.2 mm-40 -59.88 -38.59 82.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.754 0.311 . . . . 0.0 110.622 179.102 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 60' ' ' ARG . 58.9 mtt85 -69.79 -11.39 60.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.141 177.673 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.5 t -94.97 -45.84 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.236 178.541 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -66.6 -34.86 78.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.885 0.374 . . . . 0.0 110.902 178.351 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -66.7 -25.82 66.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.683 178.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -116.51 27.32 9.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.479 -178.341 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.58 -26.7 68.81 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.768 -176.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -87.8 5.71 38.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.994 0.426 . . . . 0.0 111.129 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -120.02 -0.68 10.53 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.754 178.668 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 71.7 mt -130.39 128.84 64.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.566 -177.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.495 ' HB3' ' HB2' ' A' ' 118' ' ' ARG . 7.6 t70 -102.11 -57.69 2.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.128 0.49 . . . . 0.0 109.937 176.297 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 43.0 m -112.64 132.08 55.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.276 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.0 tp -117.36 113.47 22.16 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.807 0.337 . . . . 0.0 110.178 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 66.5 mt -96.98 115.72 37.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.925 178.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 89.0 t -100.11 119.82 48.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.528 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.476 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -91.28 117.16 5.11 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 178.098 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.515 HG21 ' HB3' ' A' ' 80' ' ' TRP . 0.8 OUTLIER -97.48 -1.03 45.03 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.108 0.48 . . . . 0.0 111.716 -177.31 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.418 ' HA2' ' OG1' ' A' ' 102' ' ' THR . . . 79.23 -106.28 2.37 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.961 -0.637 . . . . 0.0 113.834 173.285 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -85.38 -26.43 26.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -170.602 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.513 ' O ' ' HB ' ' A' ' 75' ' ' THR . 2.8 m-20 -134.19 131.81 39.03 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.416 -179.49 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.423 ' HB ' ' HG3' ' A' ' 101' ' ' GLN . 6.3 p -80.83 97.38 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 122.084 0.945 . . . . 0.0 110.677 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.541 ' O ' HG21 ' A' ' 99' ' ' THR . 79.4 t90 -79.46 116.07 19.46 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.274 176.062 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 7.9 tp -87.1 123.16 39.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.314 0.578 . . . . 0.0 110.273 -177.372 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.07 131.0 89.2 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.731 -179.214 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -75.1 170.93 19.3 Favored 'Trans proline' 0 C--O 1.237 0.472 0 C-N-CA 122.5 2.133 . . . . 0.0 112.598 -178.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.4 ' O ' ' HB2' ' A' ' 88' ' ' GLU . 34.5 mmm-85 -50.11 -44.7 52.25 Favored 'General case' 0 C--O 1.222 -0.395 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.833 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -49.85 -53.84 23.09 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.011 0.434 . . . . 0.0 111.522 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 36.3 tp -72.46 -41.03 66.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.959 -176.547 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -69.57 -35.11 75.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.688 -176.566 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.545 ' OE1' ' HD3' ' A' ' 91' ' ' ARG . 3.5 tp10 -66.77 -38.43 86.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.972 178.683 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.5 -48.07 83.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.071 179.026 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.587 HD12 HD22 ' A' ' 97' ' ' LEU . 79.2 mt -73.18 -28.53 62.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.111 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.545 ' HD3' ' OE1' ' A' ' 88' ' ' GLU . 29.3 ttt180 -61.69 -36.34 80.61 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.989 0.423 . . . . 0.0 110.108 174.492 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -68.09 -11.94 62.01 Favored Glycine 0 CA--C 1.52 0.366 0 CA-C-N 115.817 -0.629 . . . . 0.0 113.13 -178.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.489 HG23 HG23 ' A' ' 95' ' ' VAL . 16.6 m -119.14 14.01 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 117.01 0.405 . . . . 0.0 111.29 177.714 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 69.26 22.11 6.81 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 175.5 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.489 HG23 HG23 ' A' ' 93' ' ' VAL . 96.6 t -95.34 114.77 32.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.047 0.451 . . . . 0.0 110.318 178.786 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 42.7 t -76.25 106.5 6.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.094 179.236 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.587 HD22 HD12 ' A' ' 90' ' ' LEU . 65.1 tp -88.46 118.18 27.91 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.359 -177.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -126.47 125.91 42.88 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 174.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.541 HG21 ' O ' ' A' ' 80' ' ' TRP . 5.1 m -104.9 125.92 51.42 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.308 -179.392 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.476 ' O ' ' HA2' ' A' ' 74' ' ' GLY . 45.8 tpp -139.5 156.59 46.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.748 -174.707 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.423 ' HG3' ' HB ' ' A' ' 79' ' ' VAL . 44.5 mt-30 -83.2 167.6 17.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.877 177.555 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.444 ' O ' HG13 ' A' ' 106' ' ' ILE . 7.8 m -44.17 -64.47 0.67 Allowed 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -170.678 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -52.86 -67.91 1.87 Allowed Glycine 0 C--N 1.333 0.382 0 C-N-CA 121.453 -0.403 . . . . 0.0 113.621 -173.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -56.12 -29.81 76.43 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.722 2.281 . . . . 0.0 112.903 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.0 -48.62 73.3 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.549 0.214 . . . . 0.0 110.928 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 102' ' ' THR . 69.9 mt -59.75 -44.13 93.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.706 -179.17 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 18.8 mtm180 -62.26 -51.53 67.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.585 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 27.0 m -62.49 -41.08 98.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.231 -176.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.403 ' CD1' ' HB2' ' A' ' 121' ' ' ALA . 64.5 t80 -61.17 -53.45 56.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.073 -179.603 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -57.7 -42.57 84.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.784 0.326 . . . . 0.0 111.376 -177.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 83.0 mt -70.26 -45.07 76.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.002 -178.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.681 ' HB3' HG11 ' A' ' 119' ' ' VAL . 35.0 tpp -66.68 -31.41 72.06 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.951 0.405 . . . . 0.0 110.64 -177.334 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.9 mm -69.29 -41.85 81.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.29 173.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -60.61 -42.5 99.25 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.274 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -81.69 -3.88 54.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.908 0.385 . . . . 0.0 110.867 178.066 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 55.29 48.98 18.05 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.003 174.574 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.56 ' HD3' ' SD ' ' A' ' 112' ' ' MET . 44.7 mtp85 -92.5 33.91 1.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.555 -178.428 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.495 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 48.7 mtm-85 59.48 47.01 11.53 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.789 171.401 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.681 HG11 ' HB3' ' A' ' 112' ' ' MET . 10.7 p -106.39 146.9 12.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.895 0.379 . . . . 0.0 111.426 -175.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -130.38 154.33 47.8 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 173.691 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.427 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -121.84 128.99 52.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.201 0.524 . . . . 0.0 111.91 -176.412 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -110.89 99.15 8.1 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 173.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 91.0 mt -103.91 120.78 41.73 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.977 0.418 . . . . 0.0 111.651 -171.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 65.1 mt -108.53 139.5 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.425 175.357 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -102.49 178.07 4.69 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.951 0.405 . . . . 0.0 111.109 -177.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 22.7 m . . . . . 0 C--N 1.324 -0.537 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.699 179.109 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 120.47 0.176 . . . . 0.0 110.619 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 56.38 -160.84 0.2 Allowed 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.596 -175.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -82.75 73.4 9.79 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.236 0.541 . . . . 0.0 110.532 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.9 mtp85 60.75 11.57 3.25 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.012 -0.995 . . . . 0.0 113.039 174.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.5 m -158.52 149.32 20.36 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -68.88 154.29 42.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.803 0.335 . . . . 0.0 110.569 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.426 ' H ' HG13 ' A' ' 7' ' ' ILE . 2.6 pp -75.77 145.78 78.77 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.538 178.08 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -59.07 131.72 43.12 Favored 'Trans proline' 0 C--O 1.233 0.261 0 C-N-CA 122.782 2.321 . . . . 0.0 112.777 -177.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -103.64 140.26 37.81 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 176.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.463 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 57.2 m-85 -84.26 107.61 11.48 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.157 -179.445 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.698 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 7.9 Cg_endo -87.05 101.01 0.53 Allowed 'Trans proline' 0 N--CA 1.452 -0.934 0 C-N-CA 123.218 2.612 . . . . 0.0 112.412 -174.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.424 ' O ' ' HD2' ' A' ' 12' ' ' ARG . 6.9 tmm_? 61.4 89.48 0.08 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.681 0.753 . . . . 0.0 110.858 179.005 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.571 HG22 ' H ' ' A' ' 15' ' ' ALA . 29.4 m -114.14 136.7 52.65 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.325 -178.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -104.33 -5.02 22.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.093 0.473 . . . . 0.0 111.023 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.571 ' H ' HG22 ' A' ' 13' ' ' THR . . . -105.57 110.1 22.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.541 -176.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 57.0 mt -108.47 137.68 39.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 173.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -142.19 150.63 41.27 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.881 -173.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 25' ' ' TYR . . . 52.89 84.57 0.05 Allowed 'General case' 0 N--CA 1.465 0.308 0 O-C-N 124.287 0.992 . . . . 0.0 112.775 174.194 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.448 ' OH ' HG13 ' A' ' 126' ' ' VAL . 52.7 t80 -107.54 131.61 54.15 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.364 177.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 148.79 -104.57 0.28 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.471 177.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -75.24 116.56 16.1 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.965 0.412 . . . . 0.0 110.033 -177.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.47 -1.27 62.02 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.479 -175.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.06 -113.53 4.31 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.066 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -111.57 98.18 7.26 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.497 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 83.7 t80 -92.72 93.41 8.45 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.404 0.621 . . . . 0.0 110.022 -178.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -142.69 135.41 27.99 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.336 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 60.67 83.23 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.03 0.831 . . . . 0.0 112.577 175.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.4 -69.65 2.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.828 -0.701 . . . . 0.0 114.094 170.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.2 tpt -136.23 156.64 48.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.84 0.32 . . . . 0.0 111.242 -171.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.7 m -63.27 138.73 58.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.162 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -119.78 107.41 13.15 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -116.23 175.42 5.56 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.716 0.293 . . . . 0.0 111.098 -176.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.99 -114.12 4.6 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 -176.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.488 ' OG ' ' HB3' ' A' ' 45' ' ' TRP . 7.7 p -141.88 133.08 26.31 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 175.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 97.6 mt -114.13 136.86 52.47 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.047 -176.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.589 ' HG ' ' HB2' ' A' ' 45' ' ' TRP . 97.4 mt -106.26 98.57 8.23 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.963 176.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.543 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 90.0 m-85 -78.34 96.76 5.39 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.149 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.7 mt -107.65 156.49 37.87 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.41 -177.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -57.12 -29.46 83.37 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.598 2.199 . . . . 0.0 112.097 175.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -70.92 -56.19 6.78 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.441 177.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.698 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -169.82 172.97 6.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.042 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.9 t -90.05 101.71 12.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 175.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -103.03 165.17 11.18 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.679 -176.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.03 141.51 15.56 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.101 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.589 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 6.5 t90 -100.6 153.88 19.04 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.049 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -100.29 22.69 11.15 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.326 0.584 . . . . 0.0 111.338 -172.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.454 HG13 ' HB2' ' A' ' 52' ' ' GLN . 71.5 t -102.88 129.77 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.13 177.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.6 m -93.38 -42.04 9.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.765 -174.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -139.2 163.68 44.19 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.919 -174.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -56.51 165.88 4.08 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.647 2.232 . . . . 0.0 112.305 174.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 71.29 -21.57 0.2 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.53 0.732 . . . . 0.0 112.196 -177.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.454 ' HB2' HG13 ' A' ' 47' ' ' VAL . 49.2 mt-30 -76.88 -5.92 50.36 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.114 0.483 . . . . 0.0 110.26 173.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.434 HD11 HD11 ' A' ' 124' ' ' ILE . 52.6 mt -77.8 86.79 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.548 0.69 . . . . 0.0 109.958 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -108.84 169.99 8.32 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.448 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.3 mtm-85 -59.59 -32.74 70.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.702 0.287 . . . . 0.0 110.806 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -76.67 -28.94 56.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.038 178.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.8 m -73.54 -20.42 60.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.244 0.545 . . . . 0.0 110.176 178.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.6 mt -88.61 19.76 3.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.675 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -49.81 -60.58 2.77 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.64 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -66.56 -19.56 65.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 -176.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.8 t -74.86 -52.58 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.293 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -63.55 -34.41 77.74 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.163 0.506 . . . . 0.0 110.432 176.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -59.63 -36.11 75.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.372 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -111.69 14.99 21.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.042 -177.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.3 -9.04 36.94 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -175.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -71.84 -26.65 62.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.029 0.442 . . . . 0.0 110.466 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.61 1.98 41.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.662 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.3 mt -105.51 115.23 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.851 -176.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.482 ' HB3' ' HB2' ' A' ' 118' ' ' ARG . 10.6 t70 -96.32 -47.67 5.91 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.39 175.043 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.417 ' HB ' HG23 ' A' ' 119' ' ' VAL . 4.9 m -117.29 133.97 55.35 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.11 178.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 55.3 tp -119.66 111.34 17.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.926 0.393 . . . . 0.0 110.199 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 61.9 mt -93.75 117.56 37.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.031 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 87.5 t -101.81 111.06 30.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.815 0.341 . . . . 0.0 110.383 177.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.422 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -96.33 108.21 3.64 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 176.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 22.1 p -84.41 7.2 20.42 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -173.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.52 -115.65 4.36 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.711 -0.757 . . . . 0.0 113.312 174.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.17 -22.24 18.57 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -172.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -127.5 155.73 43.28 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -178.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.4 t -90.83 104.42 15.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.058 0.456 . . . . 0.0 111.369 -175.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.439 ' O ' HG21 ' A' ' 99' ' ' THR . 74.8 t90 -97.9 113.82 25.74 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 174.211 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 7.4 tp -86.98 125.47 40.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 120.977 0.418 . . . . 0.0 110.639 -177.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.14 132.29 93.78 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.418 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.88 149.86 40.1 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.927 2.418 . . . . 0.0 112.088 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 -50.94 -49.36 59.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.93 -176.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -61.82 -46.18 90.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.567 0.222 . . . . 0.0 111.094 -177.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.57 -43.86 98.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.983 0.42 . . . . 0.0 110.673 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.668 ' HG3' HD23 ' A' ' 97' ' ' LEU . 50.8 ttt180 -64.58 -40.46 95.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.428 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -73.31 -35.06 66.02 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.256 -176.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.44 -44.07 92.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.717 177.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.796 HD12 HD22 ' A' ' 97' ' ' LEU . 89.8 mt -63.6 -35.97 82.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.616 178.028 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -60.88 -33.37 73.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.277 175.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -71.31 -15.97 75.15 Favored Glycine 0 N--CA 1.452 -0.248 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.542 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.41 ' O ' ' HB2' ' A' ' 94' ' ' ASN . 10.3 t -94.61 3.37 9.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 177.21 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 93' ' ' VAL . 45.2 m-80 71.32 17.96 5.74 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.264 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 58.1 t -92.54 117.97 37.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.391 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.8 t -73.6 100.98 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.03 178.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.796 HD22 HD12 ' A' ' 90' ' ' LEU . 40.6 tp -90.17 130.56 36.3 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.158 -178.349 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -137.87 133.8 34.3 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 173.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.439 HG21 ' O ' ' A' ' 80' ' ' TRP . 22.8 m -106.13 123.99 48.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.268 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.516 ' SD ' ' HB2' ' A' ' 104' ' ' PRO . 40.6 ttm -146.64 165.69 28.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.09 -174.352 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -77.32 149.25 35.33 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 173.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.567 ' O ' HG13 ' A' ' 106' ' ' ILE . 5.9 m -54.03 -42.29 69.0 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -171.143 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -55.56 -67.37 2.25 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 121.051 -0.595 . . . . 0.0 113.217 -177.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.516 ' HB2' ' SD ' ' A' ' 100' ' ' MET . 32.3 Cg_exo -59.01 -27.85 86.2 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.531 2.154 . . . . 0.0 112.059 177.406 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.08 -40.69 94.99 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.522 177.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.567 HG13 ' O ' ' A' ' 102' ' ' THR . 88.8 mt -59.07 -45.99 92.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.314 176.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.416 ' O ' HG13 ' A' ' 111' ' ' ILE . 83.9 mtt180 -63.6 -50.77 68.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.052 178.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.9 m -62.0 -37.61 85.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.85 0.357 . . . . 0.0 110.967 -178.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -61.76 -47.29 85.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.458 176.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -59.58 -29.1 67.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.145 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 107' ' ' ARG . 78.1 mt -77.57 -51.88 17.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.03 178.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 65.5 mtm -77.58 -20.38 54.11 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -173.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 10.1 tp -63.94 -35.27 72.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.754 0.311 . . . . 0.0 110.511 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -87.21 -23.01 42.29 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.637 -0.792 . . . . 0.0 111.758 177.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -72.08 -70.6 0.33 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.77 0.319 . . . . 0.0 110.705 -178.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.463 ' O ' ' HG3' ' A' ' 118' ' ' ARG . 2.9 ptp180 -99.21 -28.09 13.5 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -175.051 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.6 4.52 3.39 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 122.591 0.356 . . . . 0.0 111.666 -177.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.482 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 34.3 mtt180 -108.72 26.41 10.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.209 0.528 . . . . 0.0 110.137 -178.374 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.417 HG23 ' HB ' ' A' ' 70' ' ' THR . 7.2 p -105.59 132.4 52.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.984 -174.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -115.84 136.23 53.24 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.631 177.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.543 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -114.51 118.11 32.85 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.982 0.42 . . . . 0.0 111.14 -177.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -104.12 96.11 6.43 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 175.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 90.3 mt -109.09 126.23 52.97 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.065 -174.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.434 HD11 HD11 ' A' ' 53' ' ' ILE . 57.7 mt -101.5 140.29 20.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.841 177.12 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.28 151.73 36.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.887 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.451 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . 22.7 m -66.29 135.53 94.92 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.612 -178.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 126' ' ' VAL . 6.5 Cg_exo -73.57 80.6 1.97 Allowed 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.751 2.3 . . . . 0.0 111.025 174.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 41.9 tp -67.71 -17.14 64.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.717 -178.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.407 ' H ' ' HG3' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -91.98 5.44 50.1 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.052 179.636 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 15.6 p80 46.82 24.31 0.34 Allowed 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.563 1.145 . . . . 0.0 112.87 175.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -92.98 107.35 19.15 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.966 0.412 . . . . 0.0 110.656 -174.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 12.5 p80 -129.02 -4.12 5.07 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.474 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 70.17 176.63 0.28 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.37 177.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -168.27 140.95 3.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.778 -0.647 . . . . 0.0 109.741 178.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 9.3 p80 . . . . . 0 C--O 1.247 0.945 0 CA-C-O 119.302 -0.38 . . . . 0.0 110.245 175.627 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.7 mtp . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 58.79 -162.62 0.23 Allowed 'General case' 0 C--O 1.235 0.292 0 O-C-N 123.591 0.557 . . . . 0.0 110.864 -176.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -117.78 136.18 53.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.357 178.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.4 ttt85 -60.09 106.83 0.55 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.532 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 p -172.3 -42.03 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.234 -176.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -95.2 -97.53 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.087 -175.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.586 HG21 ' HA ' ' A' ' 11' ' ' PRO . 52.5 mt 56.12 84.29 0.21 Allowed Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.818 -176.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -77.53 73.13 5.72 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 123.15 2.567 . . . . 0.0 112.371 -176.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.444 ' HB3' ' H ' ' A' ' 10' ' ' PHE . 3.2 t-80 -173.56 -81.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.079 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.444 ' H ' ' HB3' ' A' ' 9' ' ' HIS . 40.6 m-85 -157.24 99.76 1.94 Allowed Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 173.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.586 ' HA ' HG21 ' A' ' 7' ' ' ILE . 88.4 Cg_exo -47.42 -55.68 3.73 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.973 2.449 . . . . 0.0 113.136 -174.174 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.495 ' HB2' ' O ' ' A' ' 11' ' ' PRO . 21.6 ttm180 169.25 85.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.287 -0.869 . . . . 0.0 108.675 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.4 t -143.77 127.19 16.82 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.273 0.559 . . . . 0.0 111.127 -173.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -106.44 64.54 0.66 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 173.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.46 102.52 15.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.362 -171.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.795 HG21 HD13 ' A' ' 106' ' ' ILE . 35.5 mm -112.09 99.38 8.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 173.226 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -62.9 -56.58 16.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.075 0.464 . . . . 0.0 109.912 -177.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -170.23 174.33 5.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.078 177.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 48.3 p90 -144.63 157.49 44.18 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.834 0.35 . . . . 0.0 110.225 176.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 148.82 108.53 0.49 Allowed Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.936 -0.65 . . . . 0.0 111.495 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.557 ' HA ' HD21 ' A' ' 128' ' ' LEU . 66.4 tttm 70.01 124.72 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.381 0.61 . . . . 0.0 110.951 -176.414 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.37 -73.46 1.68 Allowed Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.751 -178.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 177.08 -121.57 0.79 Allowed Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.485 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -114.06 137.74 51.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.654 0.264 . . . . 0.0 110.568 -177.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -104.18 109.24 20.98 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.157 177.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.517 ' HE1' ' HB2' ' A' ' 31' ' ' HIS . 14.4 p90 -140.86 138.02 33.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.219 -178.393 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 59.89 15.21 4.75 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 176.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.39 -0.41 63.58 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.388 -178.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 65.3 mtt -102.66 131.6 49.34 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.691 0.281 . . . . 0.0 110.932 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.7 m -94.92 90.98 6.19 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 174.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.517 ' HB2' ' HE1' ' A' ' 26' ' ' PHE . 25.7 t60 -89.3 110.02 20.84 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.19 -173.117 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -82.01 139.61 34.42 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.945 174.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.12 -123.62 6.78 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.292 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.4 p -133.76 155.42 49.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.093 0.473 . . . . 0.0 111.438 -178.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 49.4 mt -122.91 154.47 38.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.47 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 tt -128.39 97.07 4.61 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.54 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 78.6 m-85 -85.55 125.16 32.88 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.377 -178.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 71.2 mt -116.37 159.6 39.28 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.712 177.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -64.58 -17.11 58.51 Favored 'Trans proline' 0 CA--C 1.529 0.272 0 C-N-CA 122.573 2.182 . . . . 0.0 112.849 -178.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -100.13 -25.05 14.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.712 -0.222 . . . . 0.0 111.588 -176.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -175.97 172.87 2.36 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.87 0.366 . . . . 0.0 111.089 -178.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.0 t -94.55 128.59 45.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.039 177.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 69.9 m95 -126.37 -179.18 4.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.896 0.379 . . . . 0.0 110.313 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -115.46 160.18 13.41 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 121.028 -0.606 . . . . 0.0 111.805 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -112.99 169.51 8.87 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -118.47 23.37 11.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.573 0.702 . . . . 0.0 111.136 -171.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 68.0 t -113.62 103.16 14.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.139 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.9 m -81.28 -34.99 31.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.258 -177.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -124.28 130.12 24.46 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.325 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.27 91.8 0.22 Allowed 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.034 2.49 . . . . 0.0 113.42 -175.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -171.89 -46.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.03 174.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -80.81 42.31 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.814 -177.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 51.6 mt -81.95 80.61 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 171.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -109.11 168.66 9.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.449 -173.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.4 ttp180 -50.31 -37.52 36.88 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.128 0.571 . . . . 0.0 111.698 177.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -73.01 -34.01 66.11 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.853 0.358 . . . . 0.0 111.321 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.6 m -70.45 -24.44 62.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.386 0.612 . . . . 0.0 110.121 177.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.557 HD13 HD21 ' A' ' 90' ' ' LEU . 76.3 mt -99.74 19.84 15.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.446 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -56.29 -42.9 78.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.304 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 73.6 mtm-85 -75.47 -14.61 60.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.636 0.255 . . . . 0.0 111.233 179.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 58.4 t -82.2 -47.81 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.152 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -64.66 -33.79 76.77 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.018 0.437 . . . . 0.0 110.566 177.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -70.37 -48.67 55.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.328 -178.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -95.35 29.23 2.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.062 0.458 . . . . 0.0 110.875 -176.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.411 ' HA ' ' HB ' ' A' ' 68' ' ' ILE . . . -73.03 7.81 1.89 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.574 -179.143 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -78.08 -36.79 47.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.376 0.608 . . . . 0.0 109.489 174.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.81 -22.88 14.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.9 178.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.411 ' HB ' ' HA ' ' A' ' 65' ' ' ALA . 62.7 mt -84.58 94.55 3.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.046 0.45 . . . . 0.0 110.784 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.64 ' HB2' ' HD3' ' A' ' 118' ' ' ARG . 7.8 t70 -94.53 -60.49 1.7 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.791 174.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.5 m -104.51 124.09 48.65 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.792 177.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 65.5 tp -116.44 111.89 20.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.784 0.326 . . . . 0.0 110.821 -177.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 62.5 mt -97.31 120.11 46.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.198 178.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.7 t -101.3 122.88 53.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -104.27 98.4 1.54 Allowed Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.385 -176.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.1 p -120.19 97.8 5.76 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.924 0.392 . . . . 0.0 110.793 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.38 8.91 77.4 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.259 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.457 ' HB2' ' HD2' ' A' ' 127' ' ' PRO . . . -90.27 -34.83 15.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.849 0.357 . . . . 0.0 110.852 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -172.94 160.83 4.37 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 -178.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.1 t -86.9 97.71 6.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.913 0.387 . . . . 0.0 110.098 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 61.7 t90 -82.83 118.69 23.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.458 -178.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 66.4 mt -103.79 121.92 55.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.239 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.414 ' HA ' ' HD3' ' A' ' 83' ' ' PRO . . . -74.15 133.18 78.53 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 -179.194 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 82' ' ' ALA . 20.6 Cg_exo -65.22 165.1 23.09 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.815 2.343 . . . . 0.0 111.363 176.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.587 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 66.8 mtm-85 -64.72 -43.42 93.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.642 -173.022 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -60.74 -46.84 88.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.803 0.335 . . . . 0.0 110.857 -177.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.8 tp -67.81 -38.46 83.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 179.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 31.4 ttp85 -64.89 -43.77 91.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.826 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.587 ' HG2' ' O ' ' A' ' 84' ' ' ARG . 25.7 mm-40 -63.6 -32.44 73.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.933 0.397 . . . . 0.0 110.414 177.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.54 -51.71 47.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.688 177.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.557 HD21 HD13 ' A' ' 58' ' ' LEU . 74.3 mt -67.17 -54.9 16.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.031 -178.53 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.456 ' HA ' ' O ' ' A' ' 95' ' ' VAL . 18.6 ttt85 -74.15 -19.83 60.43 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.936 0.398 . . . . 0.0 110.738 -173.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -68.84 -33.34 75.1 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.101 177.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.51 HG23 HG23 ' A' ' 95' ' ' VAL . 27.3 m -90.79 26.54 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.841 0.353 . . . . 0.0 110.409 177.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.44 ' HB3' ' O ' ' A' ' 93' ' ' VAL . 7.0 t30 85.29 -24.24 0.14 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.968 174.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.51 HG23 HG23 ' A' ' 93' ' ' VAL . 79.3 t -60.44 108.46 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.376 0.608 . . . . 0.0 111.512 -175.152 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.1 t -80.02 102.51 6.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.717 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 52.2 tp -78.78 119.68 22.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.498 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -128.52 116.23 19.36 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.19 177.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.9 p -97.43 139.46 33.33 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.015 0.436 . . . . 0.0 111.384 -178.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 52.9 tpp -152.3 164.01 38.29 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.114 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -75.7 155.52 35.6 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 175.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.407 ' O ' HG13 ' A' ' 106' ' ' ILE . 31.6 m -49.07 -51.45 31.35 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -174.214 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.74 -68.21 1.82 Allowed Glycine 0 CA--C 1.522 0.5 0 C-N-CA 121.231 -0.509 . . . . 0.0 113.298 -177.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -57.66 -27.79 78.83 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 122.7 2.267 . . . . 0.0 112.95 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.87 -47.87 73.45 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.583 0.23 . . . . 0.0 110.713 178.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.795 HD13 HG21 ' A' ' 16' ' ' ILE . 92.3 mt -60.33 -47.03 94.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.52 179.073 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 53.7 ttm-85 -58.64 -51.94 67.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 45.8 m -64.15 -39.6 94.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -64.73 -39.22 93.28 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.282 -0.167 . . . . 0.0 110.852 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -59.8 -41.35 91.02 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.999 0.428 . . . . 0.0 110.743 177.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 69.3 mt -71.7 -39.54 69.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.395 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.541 ' HG2' HG21 ' A' ' 119' ' ' VAL . 2.5 tpt -65.39 -51.96 56.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.519 -178.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 11.4 tp -72.23 -17.9 19.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.895 0.379 . . . . 0.0 111.219 -175.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -66.82 -14.15 62.58 Favored Glycine 0 CA--C 1.518 0.254 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.891 -178.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -101.08 6.87 43.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.803 -0.234 . . . . 0.0 110.572 178.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 116' ' ' ARG . 13.2 ttp85 56.21 78.72 0.19 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.771 0.796 . . . . 0.0 110.083 -175.098 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -122.54 151.05 41.76 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.184 -174.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.64 ' HD3' ' HB2' ' A' ' 69' ' ' ASP . 10.0 ptp180 -69.59 78.69 0.42 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.375 0.607 . . . . 0.0 110.793 174.015 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.541 HG21 ' HG2' ' A' ' 112' ' ' MET . 9.7 p -138.58 146.54 26.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.414 -176.536 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -128.86 155.55 45.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.347 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.54 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -130.62 120.37 23.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.918 0.389 . . . . 0.0 111.522 -178.018 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -105.5 97.57 7.39 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 175.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 91.5 mt -103.3 126.86 50.69 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.048 -173.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 55.1 mt -111.47 138.8 38.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.975 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.89 156.66 38.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.031 0.443 . . . . 0.0 111.161 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 42.6 t -96.59 126.68 42.43 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.421 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.501 ' HB2' ' HB2' ' A' ' 130' ' ' HIS . 18.2 Cg_endo -58.64 151.0 66.11 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.862 2.374 . . . . 0.0 111.45 175.292 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.557 HD21 ' HA ' ' A' ' 21' ' ' LYS . 86.4 mt -85.07 -26.85 26.71 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.426 -172.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.86 51.71 0.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.253 0.549 . . . . 0.0 111.44 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.501 ' HB2' ' HB2' ' A' ' 127' ' ' PRO . 6.6 m80 -138.91 143.36 38.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.637 178.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -150.19 169.22 21.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.464 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -100.32 175.65 5.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.006 174.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -73.46 77.8 1.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 170.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -145.28 99.43 3.31 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.633 -175.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.653 -0.689 . . . . 0.0 109.731 -179.032 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.483 1.193 0 CA-C-O 120.446 0.165 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.33 -80.29 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.763 0.316 . . . . 0.0 111.124 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -160.07 -77.9 0.06 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.412 ' H ' ' HG2' ' A' ' 4' ' ' ARG . 3.9 ptm180 -90.12 -54.33 4.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.499 173.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m 60.86 -87.26 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.328 0 O-C-N 123.861 0.725 . . . . 0.0 112.129 173.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -90.8 91.06 8.2 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.309 0.576 . . . . 0.0 110.598 -177.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.453 ' O ' HD12 ' A' ' 7' ' ' ILE . 2.6 pp -86.89 145.26 38.24 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.45 -177.652 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 7' ' ' ILE . 25.1 Cg_exo -62.95 122.46 10.73 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.863 2.375 . . . . 0.0 111.867 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -81.93 113.69 20.02 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.095 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.608 ' HE1' ' HA3' ' A' ' 28' ' ' GLY . 66.6 m-85 -62.87 123.61 80.41 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.018 -177.326 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -82.01 63.5 8.33 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.965 2.444 . . . . 0.0 112.416 -177.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 66.22 92.76 0.07 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.215 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.5 m -91.61 103.62 16.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.803 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -100.89 -4.24 28.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.911 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.03 107.56 14.68 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.797 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.4 mt -118.58 139.62 45.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.419 -178.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -151.51 -169.31 3.34 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 178.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 25' ' ' TYR . . . 55.36 31.32 16.52 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.334 0.588 . . . . 0.0 111.609 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -104.68 130.38 52.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.267 -179.207 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 165.49 -40.33 0.28 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.1 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -137.9 143.47 40.85 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.59 -52.69 4.49 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.44 177.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.03 -121.14 0.99 Allowed Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 111.636 -0.586 . . . . 0.0 111.636 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -127.19 116.8 21.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.919 0.39 . . . . 0.0 110.791 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.433 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 64.2 t80 -111.46 98.82 7.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.89 174.127 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -116.11 170.47 8.48 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.981 178.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.4 110.62 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 O-C-N 123.697 0.623 . . . . 0.0 110.907 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.608 ' HA3' ' HE1' ' A' ' 10' ' ' PHE . . . 128.67 -108.63 0.92 Allowed Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.761 -177.585 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.536 ' HB2' ' HZ ' ' A' ' 10' ' ' PHE . 26.4 mmt -118.89 142.84 47.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.949 0.404 . . . . 0.0 110.862 -175.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.7 p -83.06 152.85 25.18 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.074 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.675 ' HB2' HD21 ' A' ' 35' ' ' LEU . 68.9 m80 -145.25 164.31 31.77 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -109.83 -71.53 0.76 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -174.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.81 -80.2 0.24 Allowed Glycine 0 N--CA 1.455 -0.061 0 CA-C-N 115.857 -0.61 . . . . 0.0 114.091 -168.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.577 ' OG ' ' HB3' ' A' ' 45' ' ' TRP . 7.8 p -145.6 150.07 35.7 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.174 0.511 . . . . 0.0 111.572 -175.705 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.675 HD21 ' HB2' ' A' ' 31' ' ' HIS . 3.6 mm? -121.64 151.68 40.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.777 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.7 mt -112.29 96.39 5.99 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.698 177.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.561 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 85.8 m-85 -84.24 95.45 8.68 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.106 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.0 mt -85.57 164.03 41.89 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.508 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -71.65 17.07 0.31 Allowed 'Trans proline' 0 CA--C 1.533 0.45 0 C-N-CA 123.005 2.47 . . . . 0.0 113.804 -175.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -154.15 -32.14 0.11 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -144.34 156.52 44.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.721 0.296 . . . . 0.0 110.913 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.3 t -105.42 116.94 50.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.534 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 35.9 m95 -108.7 174.33 5.92 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.751 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -105.07 150.25 16.99 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.452 176.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.577 ' HB3' ' OG ' ' A' ' 34' ' ' SER . 5.1 t90 -106.58 162.95 13.29 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -110.18 25.56 11.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.348 0.594 . . . . 0.0 110.465 -172.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.415 HG13 ' HB3' ' A' ' 52' ' ' GLN . 92.6 t -113.68 135.42 53.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.583 -178.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 33.1 m -89.51 -38.09 14.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.295 -177.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.605 ' HB2' ' HD2' ' A' ' 50' ' ' PRO . 23.6 pttm -152.83 164.99 18.56 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.682 -0.236 . . . . 0.0 110.689 -177.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.605 ' HD2' ' HB2' ' A' ' 49' ' ' LYS . 11.1 Cg_endo -55.09 166.39 2.25 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.97 2.446 . . . . 0.0 112.444 176.474 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.506 ' HA ' ' CZ2' ' A' ' 80' ' ' TRP . 34.5 tt0 75.26 -27.39 0.19 Allowed 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.475 0.71 . . . . 0.0 111.062 -178.14 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.415 ' HB3' HG13 ' A' ' 47' ' ' VAL . 61.8 tt0 -77.83 -2.09 34.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.669 0.747 . . . . 0.0 109.936 174.254 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 57.2 mt -76.05 110.59 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.294 178.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.49 ' H ' ' HB2' ' A' ' 57' ' ' SER . 2.8 p30 -145.27 -173.32 4.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.796 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.5 ttp-105 -62.99 -36.39 83.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.036 -173.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -78.31 -39.04 40.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.06 0.457 . . . . 0.0 110.232 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.49 ' HB2' ' H ' ' A' ' 54' ' ' ASP . 32.8 m -67.19 -20.81 65.77 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.904 178.444 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.527 HD12 HD11 ' A' ' 86' ' ' LEU . 85.5 mt -97.17 17.32 17.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.436 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -55.46 -49.74 71.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.436 0.16 . . . . 0.0 111.407 -178.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.7 ttm-85 -62.59 -24.08 67.37 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.982 0.42 . . . . 0.0 110.82 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 65.2 t -77.18 -47.93 25.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.118 178.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.426 ' HA ' ' HB2' ' A' ' 65' ' ' ALA . 66.7 m-85 -64.95 -29.7 70.65 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.128 0.49 . . . . 0.0 110.505 176.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -62.19 -30.76 71.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.09 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -123.31 23.78 8.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.67 -177.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.426 ' HB2' ' HA ' ' A' ' 62' ' ' PHE . . . -62.69 -23.93 67.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.999 -175.238 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -66.87 -18.98 65.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.962 0.41 . . . . 0.0 111.134 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -105.69 6.7 32.15 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.758 -179.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 58.6 mt -112.67 130.16 66.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.245 0.545 . . . . 0.0 111.097 -176.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.528 ' HB3' ' HB2' ' A' ' 118' ' ' ARG . 3.3 t70 -114.7 -47.72 2.88 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.844 178.065 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 63.8 m -124.66 126.6 45.99 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.102 177.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 57.8 tp -110.1 113.02 25.38 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 62.1 mt -103.28 111.17 32.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.816 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.0 t -94.69 114.9 32.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.061 -178.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -82.86 106.12 2.72 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 175.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.585 ' HB ' ' O ' ' A' ' 78' ' ' ASP . 0.7 OUTLIER -87.78 -1.04 57.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.19 0.519 . . . . 0.0 111.674 -173.155 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.43 -113.11 4.56 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.234 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -109.98 6.26 22.97 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -175.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.585 ' O ' ' HB ' ' A' ' 75' ' ' THR . 35.7 t70 -147.07 151.36 36.74 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.2 t -90.91 108.14 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.928 0.394 . . . . 0.0 110.814 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.506 ' CZ2' ' HA ' ' A' ' 51' ' ' GLU . 40.6 t90 -88.06 140.05 29.89 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 175.018 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 63.2 mt -87.2 100.58 10.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.1 0.476 . . . . 0.0 110.059 -178.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.436 ' HA ' ' HD3' ' A' ' 83' ' ' PRO . . . -58.71 139.99 85.83 Favored Pre-proline 0 C--O 1.236 0.368 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.553 177.081 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.493 ' HD3' ' CH2' ' A' ' 80' ' ' TRP . 50.3 Cg_exo -53.74 134.45 58.7 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.304 2.669 . . . . 0.0 113.103 -175.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -55.12 -46.95 75.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.486 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.65 -46.12 91.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.109 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.527 HD11 HD12 ' A' ' 58' ' ' LEU . 43.3 tp -61.64 -39.93 93.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.505 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 30.0 ttm105 -62.08 -45.54 93.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.567 176.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -68.66 -27.47 66.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.74 -49.27 66.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.949 0.404 . . . . 0.0 110.362 176.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.698 ' HB3' ' HB ' ' A' ' 95' ' ' VAL . 95.8 mt -64.54 -42.26 95.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.151 0.501 . . . . 0.0 110.239 176.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 91' ' ' ARG . 0.1 OUTLIER -62.66 -30.36 71.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.603 178.068 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -67.73 -29.47 73.83 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.099 177.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 40.6 t -83.28 -81.43 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.71 0.291 . . . . 0.0 110.31 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -168.1 15.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.267 0.556 . . . . 0.0 110.143 -178.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.698 ' HB ' ' HB3' ' A' ' 90' ' ' LEU . 48.8 t -114.81 119.52 61.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.914 0.388 . . . . 0.0 111.868 -168.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.6 t -84.62 123.85 39.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 171.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.414 HD22 HD12 ' A' ' 90' ' ' LEU . 58.2 tp -99.89 107.92 20.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.956 0.408 . . . . 0.0 111.64 -174.259 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -114.93 142.84 46.06 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.436 HG22 ' OG1' ' A' ' 75' ' ' THR . 1.1 m -129.32 127.65 41.54 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 -177.147 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 24.3 ptp -157.79 178.3 10.4 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.579 0.228 . . . . 0.0 110.898 -176.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 -65.47 160.65 21.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.848 0.356 . . . . 0.0 111.229 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.434 ' O ' HG13 ' A' ' 106' ' ' ILE . 0.7 OUTLIER -63.19 -40.56 97.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.031 -177.596 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -54.45 -64.17 4.54 Favored Glycine 0 CA--C 1.522 0.486 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.805 178.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -57.04 -33.51 95.85 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.79 2.327 . . . . 0.0 112.793 177.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.65 -44.62 89.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.747 0.308 . . . . 0.0 111.209 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 102' ' ' THR . 79.5 mt -64.0 -40.26 88.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.211 0.529 . . . . 0.0 109.906 176.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.407 ' O ' HG13 ' A' ' 111' ' ' ILE . 27.5 ttm-85 -65.88 -46.25 79.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.066 -178.4 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.4 p -66.41 -40.43 89.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.561 -177.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -60.95 -45.68 93.75 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 175.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -55.52 -33.48 63.82 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.117 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 107' ' ' ARG . 83.2 mt -79.54 -53.27 13.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.225 179.029 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 65.8 mtt -64.98 -32.79 74.69 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -173.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 11.0 tp -66.2 -24.43 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.026 0.441 . . . . 0.0 110.748 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -70.37 -30.17 69.45 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.838 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -89.59 2.85 54.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.802 0.334 . . . . 0.0 110.828 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' ' 116' ' ' ARG . 20.4 ttm-85 59.68 32.89 21.73 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.65 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -81.92 145.49 30.29 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 174.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.528 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 97.5 mtt180 -70.85 75.69 0.62 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.39 0.614 . . . . 0.0 110.886 -178.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 7.2 p -106.49 129.22 60.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.651 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -116.86 121.39 41.35 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.627 177.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.561 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -101.78 109.6 21.4 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.086 0.469 . . . . 0.0 110.933 -178.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -93.96 95.57 9.15 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.158 176.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 80.3 mt -100.64 114.96 29.1 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.121 -173.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 57.0 mt -97.91 128.37 49.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.815 176.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -73.39 148.05 43.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.318 178.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 18.9 m -64.29 134.95 96.14 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.031 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -74.0 2.95 5.48 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.806 2.337 . . . . 0.0 112.294 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 94.5 mt 67.4 108.47 0.04 OUTLIER 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.943 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -73.44 -138.4 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.856 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -43.92 115.68 0.85 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.045 174.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -78.68 143.86 35.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.823 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 39.8 m80 59.36 70.14 0.67 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.293 0.568 . . . . 0.0 109.869 -172.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -83.74 82.77 8.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.844 -175.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 81.2 t60 65.74 -78.49 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.993 177.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 33.6 m80 . . . . . 0 C--O 1.245 0.865 0 CA-C-O 118.626 -0.702 . . . . 0.0 109.179 173.942 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.4 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 120.707 0.289 . . . . 0.0 111.122 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.69 177.43 7.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.671 0.272 . . . . 0.0 110.886 -177.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -77.08 86.0 3.57 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.245 0.545 . . . . 0.0 109.81 176.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.613 ' HD2' ' HG2' ' A' ' 6' ' ' GLU . 35.6 ttm180 -165.4 155.27 12.94 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.246 -175.224 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.401 ' N ' ' HG2' ' A' ' 4' ' ' ARG . 26.4 t -84.26 78.39 9.8 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 169.561 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.613 ' HG2' ' HD2' ' A' ' 4' ' ' ARG . 36.2 mt-10 -76.02 -73.85 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.264 -170.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.1 pt -126.65 94.78 39.36 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-O 121.141 0.496 . . . . 0.0 110.969 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -72.85 77.48 2.29 Favored 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 123.043 2.495 . . . . 0.0 112.158 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.406 ' O ' ' HD3' ' A' ' 11' ' ' PRO . 32.7 m170 -116.74 159.11 22.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.006 177.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.414 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 89.6 m-85 -98.52 94.39 2.37 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 170.503 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 10' ' ' PHE . 6.1 Cg_exo -77.17 97.59 1.16 Allowed 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 123.077 2.518 . . . . 0.0 113.841 -167.34 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.475 HH21 ' HD2' ' A' ' 117' ' ' ARG . 69.0 mtp85 53.84 33.53 17.28 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.418 169.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.9 t -90.84 118.09 29.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.612 0.72 . . . . 0.0 110.853 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -104.37 26.21 9.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.135 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.38 102.32 15.01 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.92 -176.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.51 HD12 HG23 ' A' ' 106' ' ' ILE . 63.9 mt -111.23 112.49 40.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.242 176.326 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -81.11 -45.9 15.75 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -174.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -143.51 127.91 17.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.813 0.339 . . . . 0.0 111.705 -177.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -111.04 124.03 51.36 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 172.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.402 ' O ' ' HB3' ' A' ' 21' ' ' LYS . . . 92.95 140.73 10.09 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 -173.1 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.402 ' HB3' ' O ' ' A' ' 20' ' ' GLY . 86.9 tttt 68.27 111.85 0.04 OUTLIER 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.435 0.636 . . . . 0.0 110.123 -172.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 75.24 11.31 84.2 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 120.827 -0.701 . . . . 0.0 111.859 -172.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.56 -105.53 2.74 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.75 -178.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -131.76 120.02 22.1 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 176.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -100.84 101.33 12.14 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 178.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -102.65 177.22 4.92 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 175.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.95 93.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.941 0.4 . . . . 0.0 110.935 177.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 148.47 -75.93 0.26 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.558 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 23.1 ptp -148.14 168.03 23.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.737 0.303 . . . . 0.0 111.309 -177.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.9 m -87.89 123.18 32.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.457 176.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -124.96 105.79 9.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.658 0.266 . . . . 0.0 110.613 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -84.7 150.86 24.83 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 175.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 122.42 -103.64 0.85 Allowed Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 -177.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.1 t -153.26 143.58 22.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.834 0.35 . . . . 0.0 110.196 177.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 84.4 mt -130.37 136.74 49.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.352 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.58 101.6 9.99 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -83.04 107.3 15.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.489 -178.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.431 HD12 ' CD1' ' A' ' 43' ' ' TRP . 94.1 mt -103.33 155.4 36.81 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.688 176.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.473 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 52.8 Cg_exo -56.32 -23.73 47.78 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.775 2.317 . . . . 0.0 113.014 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -90.39 -53.91 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 0.0 111.132 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -150.79 159.05 44.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.84 0.353 . . . . 0.0 111.306 -176.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.9 t -90.59 113.64 26.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.924 176.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.431 ' CD1' HD12 ' A' ' 38' ' ' LEU . 98.1 m95 -106.24 160.52 15.28 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.915 0.388 . . . . 0.0 110.904 -178.294 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.56 132.13 11.06 Favored Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 175.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -103.17 132.48 49.4 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -93.47 63.12 3.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.355 0.598 . . . . 0.0 110.544 -173.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.529 HG13 ' HB3' ' A' ' 52' ' ' GLN . 78.3 t -137.71 137.04 45.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.747 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 28.2 m -91.51 -42.69 10.12 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.784 0.291 . . . . 0.0 111.784 -176.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.504 ' HE3' ' HB2' ' A' ' 51' ' ' GLU . 58.8 pttt -139.84 159.32 65.25 Favored Pre-proline 0 C--N 1.33 -0.266 0 O-C-N 122.278 -0.264 . . . . 0.0 111.19 -177.443 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.599 ' HB3' HG22 ' A' ' 75' ' ' THR . 39.8 Cg_exo -58.42 -27.23 81.0 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.097 2.532 . . . . 0.0 113.195 -179.237 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.504 ' HB2' ' HE3' ' A' ' 49' ' ' LYS . 48.9 mt-10 -76.58 -4.16 41.4 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.037 0.446 . . . . 0.0 111.13 -178.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.529 ' HB3' HG13 ' A' ' 47' ' ' VAL . 36.3 tt0 -97.68 8.51 44.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.447 0.641 . . . . 0.0 109.926 -178.586 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.47 HG22 HD21 ' A' ' 86' ' ' LEU . 74.1 mt -77.42 117.09 21.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.669 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -144.7 173.1 12.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.416 -178.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 76.4 mtm-85 -55.73 -37.07 67.97 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 122.558 0.343 . . . . 0.0 111.443 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -72.12 -33.1 67.54 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -177.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.8 p -85.64 -23.4 27.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.007 0.432 . . . . 0.0 110.426 178.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.428 HD13 HD21 ' A' ' 90' ' ' LEU . 91.9 mt -91.53 13.48 17.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.071 176.29 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -56.33 -38.1 70.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.674 0.273 . . . . 0.0 111.001 -178.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.6 -30.42 70.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.911 0.386 . . . . 0.0 110.604 177.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.6 t -72.26 -43.98 64.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.581 -179.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -70.82 -31.81 68.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.037 0.446 . . . . 0.0 110.836 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -78.06 -46.71 20.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.245 -178.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -94.76 26.72 3.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.209 0.528 . . . . 0.0 110.267 -176.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.89 -21.64 66.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.579 -174.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -70.96 -26.24 63.07 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.653 0.263 . . . . 0.0 111.669 -176.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -94.32 -6.92 43.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.434 -177.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 22.9 pt -120.81 114.87 45.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.612 0.72 . . . . 0.0 111.957 -176.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.425 ' HB3' ' HB3' ' A' ' 118' ' ' ARG . 5.4 t70 -91.05 -50.66 5.74 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.514 174.233 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.7 m -114.49 126.95 55.53 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.985 178.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -113.22 114.4 26.68 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.479 ' HA ' ' O ' ' A' ' 98' ' ' ASP . 58.0 mt -102.82 128.84 55.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.422 -179.072 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 62.8 t -111.72 124.23 68.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.36 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -93.97 95.36 1.93 Allowed Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 177.419 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.599 HG22 ' HB3' ' A' ' 50' ' ' PRO . 17.3 p -83.2 51.7 2.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.108 0.48 . . . . 0.0 112.141 -174.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.521 ' HA2' HG22 ' A' ' 126' ' ' VAL . . . 77.29 -128.48 8.99 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.756 177.167 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -110.28 18.63 19.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.988 0.423 . . . . 0.0 111.239 -176.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -150.63 162.64 40.28 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.3 t -94.47 96.56 6.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.008 0.433 . . . . 0.0 110.971 -177.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.538 ' O ' HG21 ' A' ' 99' ' ' THR . 81.1 t90 -80.29 121.41 25.62 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 175.322 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 7.8 tp -87.5 122.66 39.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.408 0.623 . . . . 0.0 110.72 -176.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.05 140.75 83.34 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.412 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_exo -56.76 146.17 79.1 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.562 2.174 . . . . 0.0 111.708 178.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 84' ' ' ARG . 9.3 mmm180 -60.19 -37.78 81.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.884 -173.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -60.7 -40.52 92.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.89 0.376 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.47 HD21 HG22 ' A' ' 53' ' ' ILE . 58.0 tp -74.9 -37.42 62.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.838 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.586 ' HG3' HD23 ' A' ' 97' ' ' LEU . 8.1 ttp180 -67.79 -48.8 65.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.258 -178.491 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.78 -19.06 62.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.149 179.163 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.46 -45.25 84.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.842 0.353 . . . . 0.0 110.109 174.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.491 HD12 HD22 ' A' ' 97' ' ' LEU . 95.6 mt -66.67 -36.54 82.79 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.182 176.196 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -69.51 -20.19 63.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.596 178.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -59.3 -35.42 84.7 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.914 -0.585 . . . . 0.0 112.723 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -89.7 -85.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.993 177.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -160.0 14.05 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.861 0.362 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 58.8 t -95.15 114.07 30.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.927 0.394 . . . . 0.0 111.27 -172.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.9 t -87.95 109.68 19.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.608 174.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.586 HD23 ' HG3' ' A' ' 87' ' ' ARG . 55.7 tp -86.95 128.75 35.07 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.293 -176.335 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.479 ' O ' ' HA ' ' A' ' 72' ' ' ILE . 38.4 t70 -128.95 120.83 26.81 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.423 173.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.538 HG21 ' O ' ' A' ' 80' ' ' TRP . 12.0 m -105.29 130.57 53.39 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.435 -177.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.475 ' CG ' ' HB2' ' A' ' 104' ' ' PRO . 42.5 tpp -150.07 163.21 38.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.228 -175.416 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.456 ' HB2' ' HD2' ' A' ' 104' ' ' PRO . 58.3 mt-30 -66.24 152.46 44.83 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 173.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.422 ' O ' HG13 ' A' ' 106' ' ' ILE . 4.8 p -49.8 -49.55 48.31 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -175.324 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -53.79 -68.81 1.45 Allowed Glycine 0 CA--C 1.523 0.538 0 C-N-CA 121.312 -0.471 . . . . 0.0 113.201 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.475 ' HB2' ' CG ' ' A' ' 100' ' ' MET . 41.1 Cg_exo -57.9 -30.24 88.99 Favored 'Trans proline' 0 CA--C 1.532 0.401 0 C-N-CA 122.716 2.278 . . . . 0.0 113.008 178.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.44 -49.15 70.24 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.681 0.277 . . . . 0.0 110.722 178.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.51 HG23 HD12 ' A' ' 16' ' ' ILE . 84.0 mt -58.66 -43.31 87.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.182 177.707 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -58.39 -52.96 63.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.732 177.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 26.0 m -59.54 -42.79 93.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.755 -178.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -64.08 -48.87 74.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.195 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -63.95 -32.87 74.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.015 -175.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 81.8 mt -77.91 -44.18 28.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.993 0.425 . . . . 0.0 110.368 176.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.9 tpt -64.34 -36.66 84.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.24 -176.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' A' ' 117' ' ' ARG . 11.1 tp -68.45 -15.19 19.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.161 0.505 . . . . 0.0 110.59 -179.049 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -99.58 -5.52 55.45 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.049 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -111.62 -29.88 7.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.378 0.609 . . . . 0.0 110.632 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -163.36 90.39 0.65 Allowed 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -174.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.48 ' HA ' HD12 ' A' ' 113' ' ' ILE . 67.7 mtm-85 -64.92 74.92 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.419 178.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.425 ' HB3' ' HB3' ' A' ' 69' ' ' ASP . 24.2 mtt180 -156.75 29.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.142 178.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.1 p -126.64 146.64 32.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.331 -174.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -134.74 152.31 51.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.916 176.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -128.07 122.77 32.94 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.99 0.424 . . . . 0.0 111.412 -177.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -100.05 107.16 19.01 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.734 175.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.1 mt -100.0 124.4 45.32 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.992 0.425 . . . . 0.0 110.988 -176.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 62.2 mt -108.86 140.48 27.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.565 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -53.15 129.2 30.38 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -174.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.521 HG22 ' HA2' ' A' ' 76' ' ' GLY . 39.0 t -78.86 117.96 69.69 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.84 175.258 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -60.31 128.92 27.79 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.774 2.316 . . . . 0.0 112.363 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 7.3 mp -90.41 24.0 2.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.052 0.453 . . . . 0.0 109.844 179.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -74.35 21.93 0.1 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.729 -0.668 . . . . 0.0 112.192 -175.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -107.67 -73.75 0.68 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 172.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.41 ' O ' ' HB2' ' A' ' 132' ' ' HIS . 84.6 t60 -81.29 69.56 7.94 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 173.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.41 ' HB2' ' O ' ' A' ' 131' ' ' HIS . 11.7 t-160 175.47 -40.17 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.439 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -67.73 -52.67 34.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.345 -176.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -76.28 121.5 23.05 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.977 0.417 . . . . 0.0 110.034 177.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 4.9 t60 . . . . . 0 C--N 1.317 -0.833 0 CA-C-O 117.955 -1.022 . . . . 0.0 109.519 175.341 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 tmt? . . . . . 0 N--CA 1.48 1.044 0 CA-C-O 120.677 0.275 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.24 153.34 21.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.234 178.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -65.2 -20.17 66.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.59 -176.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.5 ttp85 -76.78 69.34 3.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.221 0.534 . . . . 0.0 110.491 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 m -101.49 -57.14 2.14 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 173.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.505 ' HG3' HG13 ' A' ' 7' ' ' ILE . 9.0 tp10 68.87 130.99 0.03 OUTLIER 'General case' 0 C--O 1.232 0.179 0 CA-C-N 114.733 -1.121 . . . . 0.0 111.512 178.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.505 HG13 ' HG3' ' A' ' 6' ' ' GLU . 32.4 mt 64.94 98.13 0.04 OUTLIER Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.287 -175.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -74.95 12.0 1.3 Allowed 'Trans proline' 0 CA--C 1.531 0.375 0 C-N-CA 123.244 2.629 . . . . 0.0 113.327 -174.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.445 ' O ' HG22 ' A' ' 7' ' ' ILE . 15.5 m80 -154.85 176.68 12.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.769 0.318 . . . . 0.0 110.369 -177.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -121.25 78.92 35.17 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 172.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -89.87 106.79 0.37 Allowed 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 123.182 2.588 . . . . 0.0 113.147 -173.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.555 ' HG2' ' O ' ' A' ' 39' ' ' PRO . 39.0 mtt85 63.15 25.83 15.04 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.075 171.05 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.0 t -90.33 128.91 36.57 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.264 0.554 . . . . 0.0 110.299 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.87 92.82 3.29 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.458 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.19 102.55 3.37 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.937 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.0 mm -98.16 109.9 24.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 175.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -86.06 -48.87 8.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.859 0.362 . . . . 0.0 110.902 -176.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.598 ' HB3' ' HB3' ' A' ' 25' ' ' TYR . . . -128.63 136.99 51.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.06 0.457 . . . . 0.0 110.692 177.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -139.32 139.97 37.42 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.9 -179.108 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 139.86 -91.61 0.19 Allowed Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.26 -0.971 . . . . 0.0 113.043 175.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.426 ' HG3' HD21 ' A' ' 128' ' ' LEU . 86.9 tttt -107.85 121.26 44.39 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.898 0.38 . . . . 0.0 111.344 -172.474 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.06 -3.76 28.6 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.475 178.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.721 ' HA2' ' HB1' ' A' ' 125' ' ' ALA . . . 115.31 -139.16 15.29 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -178.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -119.1 152.96 35.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.984 0.421 . . . . 0.0 110.188 175.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.598 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 91.3 t80 -132.38 108.84 9.44 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.085 0.469 . . . . 0.0 110.542 178.049 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -113.57 177.13 4.74 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.109 173.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.26 91.82 0.99 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.048 0.451 . . . . 0.0 110.96 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 149.81 -78.18 0.22 Allowed Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.967 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 24.9 ttt -126.08 152.91 45.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.741 0.305 . . . . 0.0 110.984 -173.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.1 t -143.71 -167.92 2.71 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 34.9 m170 72.27 24.91 2.96 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.404 0.682 . . . . 0.0 111.505 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.445 ' HG3' HD21 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -117.91 151.58 37.13 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 176.184 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.421 ' HA2' ' CB ' ' A' ' 125' ' ' ALA . . . -114.61 8.23 22.15 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.402 -0.904 . . . . 0.0 113.258 -176.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.745 ' HB3' ' HB3' ' A' ' 45' ' ' TRP . 6.6 m -147.02 114.68 6.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 117.037 0.418 . . . . 0.0 110.805 -176.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.445 HD21 ' HG3' ' A' ' 32' ' ' GLN . 90.1 mt -135.55 137.24 41.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.91 0.386 . . . . 0.0 111.499 -178.468 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.1 mt -109.59 100.85 9.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.268 176.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.44 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 93.0 m-85 -90.85 92.56 8.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.861 0.362 . . . . 0.0 110.239 178.303 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.9 mt -96.31 158.56 33.71 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.917 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.555 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 12.2 Cg_exo -71.24 7.34 1.46 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.948 2.432 . . . . 0.0 112.362 179.094 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -122.69 -56.15 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.144 179.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -144.57 154.62 43.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.062 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.1 t -98.4 117.48 43.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.655 174.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -109.2 150.19 28.28 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.086 -176.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.13 127.95 8.46 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 110.764 -0.935 . . . . 0.0 110.764 173.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.745 ' HB3' ' HB3' ' A' ' 34' ' ' SER . 1.1 t90 -99.32 151.41 21.09 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -175.371 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -105.38 9.47 33.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 122.207 1.003 . . . . 0.0 110.386 -178.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.526 HG21 ' HB3' ' A' ' 57' ' ' SER . 86.8 t -96.24 95.01 4.46 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.347 -178.369 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.2 p -93.02 8.89 38.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.915 -176.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.533 ' HB2' ' HB2' ' A' ' 52' ' ' GLN . 97.8 mttt -130.53 132.42 23.97 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.716 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 49' ' ' LYS . 43.1 Cg_exo -58.03 -33.37 97.18 Favored 'Trans proline' 0 CA--C 1.528 0.195 0 C-N-CA 122.931 2.421 . . . . 0.0 112.69 -179.591 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -96.36 10.71 37.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.551 0.691 . . . . 0.0 110.834 -177.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.533 ' HB2' ' HB2' ' A' ' 49' ' ' LYS . 52.5 tt0 -95.39 7.29 46.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.856 0.836 . . . . 0.0 109.295 176.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 69.0 mt -76.37 103.98 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.127 177.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -126.9 169.88 12.82 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.745 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.97 -41.09 64.24 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 122.706 0.403 . . . . 0.0 110.451 177.491 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -66.55 -41.06 89.22 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.571 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.526 ' HB3' HG21 ' A' ' 47' ' ' VAL . 13.8 m -65.75 -24.65 67.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.587 178.163 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 88.5 mt -103.25 16.95 25.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.856 -178.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -58.92 -39.31 81.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.897 0.38 . . . . 0.0 110.753 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -69.34 -27.91 65.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.59 176.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.5 t -70.42 -37.3 70.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.37 179.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -65.29 -40.84 94.37 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.193 0.521 . . . . 0.0 110.009 174.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -69.15 -41.38 77.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.459 -177.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -96.5 17.55 15.97 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.152 -178.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.81 -16.05 62.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.026 -177.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -65.25 -31.6 72.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.898 0.38 . . . . 0.0 110.765 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.467 ' O ' ' HG2' ' A' ' 39' ' ' PRO . . . -96.55 -4.43 41.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.804 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 68.0 mt -107.62 111.12 34.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.118 0.485 . . . . 0.0 111.204 -175.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -99.03 -62.3 1.25 Allowed 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 171.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 58.5 m -104.73 116.17 31.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.828 178.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.0 tp -105.16 106.58 17.14 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.075 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 50.3 mt -94.54 117.61 38.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.579 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.506 HG22 ' HB3' ' A' ' 122' ' ' ALA . 59.4 t -107.34 129.29 61.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.797 -178.462 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -107.59 111.13 3.35 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 175.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.615 HG21 ' HB3' ' A' ' 80' ' ' TRP . 23.1 p -72.08 -35.93 69.38 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.971 0.415 . . . . 0.0 111.966 -175.215 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 149.26 -127.64 2.53 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.808 -0.71 . . . . 0.0 111.515 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.544 ' HB2' HG13 ' A' ' 126' ' ' VAL . . . -88.05 -47.6 8.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.397 0.618 . . . . 0.0 109.639 177.53 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -82.18 160.43 23.06 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.471 177.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 14.3 p -104.72 113.2 41.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.667 0.746 . . . . 0.0 110.316 -177.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.615 ' HB3' HG21 ' A' ' 75' ' ' THR . 64.8 t90 -99.05 124.62 44.18 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.143 -178.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.2 mp -87.23 119.38 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.08 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.413 ' HA ' ' HD3' ' A' ' 83' ' ' PRO . . . -89.26 143.65 31.26 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.716 -178.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 82' ' ' ALA . 33.2 Cg_exo -61.97 131.5 35.24 Favored 'Trans proline' 0 C--O 1.24 0.586 0 C-N-CA 122.722 2.281 . . . . 0.0 111.944 177.386 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -58.41 -24.71 60.81 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.783 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -61.57 -34.29 75.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.937 0.398 . . . . 0.0 110.558 178.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.1 tp -73.54 -42.58 61.51 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 176.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.811 ' HG2' ' HB3' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -62.54 -38.53 90.38 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.031 176.74 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -68.93 -28.91 67.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.426 -177.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.87 -42.45 97.53 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 172.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.614 ' HB3' ' HB ' ' A' ' 95' ' ' VAL . 95.9 mt -72.29 -24.3 61.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.509 175.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.547 ' HD3' ' O ' ' A' ' 91' ' ' ARG . 0.1 OUTLIER -64.9 -30.75 71.77 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 177.172 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -56.67 -38.47 82.3 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.274 176.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.561 HG23 HG23 ' A' ' 95' ' ' VAL . 6.9 m -100.13 15.95 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.085 0.469 . . . . 0.0 110.723 177.57 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 64.01 29.64 14.26 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.199 -0.91 . . . . 0.0 112.599 173.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.614 ' HB ' ' HB3' ' A' ' 90' ' ' LEU . 74.9 t -86.24 118.61 32.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.065 0.459 . . . . 0.0 110.117 175.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 41.7 t -79.2 100.87 4.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 176.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.811 ' HB3' ' HG2' ' A' ' 87' ' ' ARG . 57.9 tp -89.62 121.93 32.27 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.5 -176.568 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -126.75 115.88 20.08 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.923 0.392 . . . . 0.0 110.028 177.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.5 m -97.8 123.06 41.59 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.766 -177.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 73.0 mtm -140.19 -175.75 4.36 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.079 177.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -86.16 162.48 18.34 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 175.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.1 p -54.54 -46.73 73.67 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -171.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -53.66 -67.07 2.33 Favored Glycine 0 CA--C 1.523 0.532 0 C-N-CA 121.34 -0.457 . . . . 0.0 113.277 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.55 -32.5 74.5 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.014 2.476 . . . . 0.0 113.089 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.18 -51.15 68.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.041 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 73.2 mt -62.39 -44.0 98.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -57.51 -52.36 65.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.453 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 15.9 m -65.5 -38.25 89.15 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.169 -177.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -63.62 -45.61 89.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.714 178.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -57.06 -44.92 83.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.542 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.407 ' O ' ' HG2' ' A' ' 115' ' ' GLU . 72.5 mt -66.35 -47.78 83.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.01 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 90.6 mmm -66.77 -38.3 86.28 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -174.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 11.2 tp -69.52 -26.45 31.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-O 121.064 0.459 . . . . 0.0 110.406 -178.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.82 -46.99 8.08 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.959 177.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 111' ' ' ILE . 15.0 mm-40 -61.72 -57.59 11.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.613 0.244 . . . . 0.0 111.027 -179.393 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 76.6 mtt180 -132.83 -104.02 0.25 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.862 0.363 . . . . 0.0 110.521 178.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 176.79 -155.55 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 -175.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 19.4 mmt85 62.6 22.09 13.09 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.448 0.642 . . . . 0.0 111.338 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.453 ' O ' ' HG3' ' A' ' 39' ' ' PRO . 7.1 p -116.37 131.02 70.15 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.606 178.27 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -122.96 145.11 48.77 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.396 -178.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.44 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -119.17 111.93 18.87 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.01 0.433 . . . . 0.0 111.047 -179.036 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.506 ' HB3' HG22 ' A' ' 73' ' ' VAL . . . -94.18 99.0 11.35 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 173.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 98.3 mt -108.89 115.93 31.03 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.062 0.458 . . . . 0.0 111.814 -170.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 67.3 mt -98.85 126.19 52.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 170.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.721 ' HB1' ' HA2' ' A' ' 23' ' ' GLY . . . -65.83 148.45 51.76 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.662 -174.302 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.629 HG12 ' H ' ' A' ' 128' ' ' LEU . 94.0 t -64.83 113.13 9.77 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.691 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -85.28 25.85 0.68 Allowed 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.875 2.383 . . . . 0.0 111.789 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.629 ' H ' HG12 ' A' ' 126' ' ' VAL . 91.1 mt 64.38 -172.23 0.18 Allowed 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.271 -175.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' ' 129' ' ' GLU . 0.1 OUTLIER -99.46 -1.22 39.09 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.486 0.66 . . . . 0.0 109.428 176.351 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 47.0 p-80 -144.09 163.73 32.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.642 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -68.0 -173.38 0.37 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.811 0.339 . . . . 0.0 111.837 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 40.3 p-80 -74.65 27.39 0.08 Allowed 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -171.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 64.8 t-80 -100.47 113.85 26.96 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 176.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 36.4 p-80 -73.54 166.27 23.56 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.829 0.347 . . . . 0.0 110.938 -176.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 70.2 t60 . . . . . 0 C--O 1.246 0.881 0 CA-C-O 118.623 -0.703 . . . . 0.0 109.956 177.444 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 ttt . . . . . 0 N--CA 1.481 1.125 0 CA-C-O 120.912 0.387 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -130.82 135.01 47.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.023 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -135.56 159.76 40.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.387 -176.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 26.1 tpt180 -69.98 -25.79 63.79 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 173.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m 65.36 30.6 10.95 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.495 174.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -80.99 66.14 6.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.728 0.775 . . . . 0.0 110.638 177.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.8 pt -83.59 158.2 63.25 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.172 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -50.22 113.99 1.24 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.743 2.296 . . . . 0.0 111.576 176.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -84.18 152.86 24.0 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.191 0.519 . . . . 0.0 110.822 -174.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.444 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 41.2 m-85 -107.63 119.51 50.27 Favored Pre-proline 0 C--N 1.318 -0.789 0 CA-C-N 115.476 -0.783 . . . . 0.0 109.017 178.512 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 10' ' ' PHE . 7.4 Cg_exo -72.69 77.42 2.23 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 123.081 2.521 . . . . 0.0 112.697 -176.118 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 56.68 76.32 0.31 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.265 177.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.1 t -96.7 133.35 41.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.571 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -107.77 -14.4 14.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.534 0.683 . . . . 0.0 110.183 177.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.57 102.74 15.39 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.067 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.5 mt -107.58 125.67 63.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.108 175.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -85.59 -58.3 2.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.709 0.29 . . . . 0.0 111.502 -173.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.89 144.96 39.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.89 0.376 . . . . 0.0 111.019 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -149.15 156.04 41.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.357 177.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.67 -56.15 4.68 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.027 -0.606 . . . . 0.0 113.24 175.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -51.94 -65.43 0.56 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.011 0.434 . . . . 0.0 111.421 -176.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -121.51 39.71 2.29 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 177.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.653 ' HA2' ' OE1' ' A' ' 32' ' ' GLN . . . 91.23 -168.5 32.39 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -175.104 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.403 ' O ' ' HA ' ' A' ' 30' ' ' SER . 92.1 m-85 -83.15 110.77 18.32 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 174.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.591 ' HA ' ' O ' ' A' ' 29' ' ' MET . 55.0 t80 -111.95 98.78 7.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.193 0.521 . . . . 0.0 110.366 -178.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -142.53 137.28 30.06 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.162 173.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 66.98 13.54 9.51 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.727 0.642 . . . . 0.0 111.215 -177.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.24 -9.53 61.21 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.939 -0.648 . . . . 0.0 113.573 176.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.591 ' O ' ' HA ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -88.06 165.03 15.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.153 0.476 . . . . 0.0 110.649 -178.55 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.501 ' OG ' ' HD2' ' A' ' 25' ' ' TYR . 67.8 m -151.53 138.86 19.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.503 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -173.97 137.7 0.58 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.488 176.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.653 ' OE1' ' HA2' ' A' ' 23' ' ' GLY . 10.1 mm100 -94.31 107.01 18.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.056 0.455 . . . . 0.0 109.826 173.156 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.11 -164.72 31.29 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 -178.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.671 ' HB2' ' O ' ' A' ' 45' ' ' TRP . 5.3 m -111.22 131.96 54.71 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 117.172 0.486 . . . . 0.0 110.579 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 96.0 mt -122.03 146.51 47.1 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.602 -177.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.7 111.76 22.35 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -92.17 101.54 14.05 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.126 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.435 ' C ' ' H ' ' A' ' 40' ' ' ASP . 94.5 mt -89.9 159.44 42.98 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.871 178.154 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -68.45 16.88 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.109 2.539 . . . . 0.0 113.058 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.435 ' H ' ' C ' ' A' ' 38' ' ' LEU . 23.9 m-20 -135.54 -53.27 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.66 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -150.28 159.58 44.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.651 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.1 t -89.96 132.02 35.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.264 177.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 79.1 m95 -124.81 159.21 31.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.599 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.63 130.82 10.18 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.807 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.671 ' O ' ' HB2' ' A' ' 34' ' ' SER . 27.0 t90 -136.49 76.91 1.62 Allowed 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 -178.276 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -74.43 97.65 3.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.204 -169.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 57.3 t -128.23 96.03 3.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.277 -0.874 . . . . 0.0 108.689 173.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.3 m -59.44 -46.97 87.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.091 -174.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.43 ' HE2' ' HB3' ' A' ' 49' ' ' LYS . 17.8 mtpt -117.18 127.1 26.93 Favored Pre-proline 0 C--N 1.325 -0.489 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.528 178.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.76 -8.09 20.26 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 123.4 2.733 . . . . 0.0 113.601 -174.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -67.58 -22.96 65.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.093 0.473 . . . . 0.0 110.458 178.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -92.52 24.62 3.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.686 -177.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 71.1 mt -76.01 103.09 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 172.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -136.22 -165.61 1.74 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.666 -174.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 35.8 mtm180 -73.42 -29.11 62.36 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.531 0.197 . . . . 0.0 111.531 -177.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -71.69 -45.32 62.22 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 120.953 0.406 . . . . 0.0 110.555 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.2 p -70.82 -35.24 72.4 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.931 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 88.2 mt -85.45 8.57 18.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.264 178.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -54.53 -41.68 69.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.984 0.421 . . . . 0.0 110.456 177.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -67.19 -30.65 70.65 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.458 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.6 t -71.34 -45.89 67.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.445 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -67.64 -33.15 74.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.767 177.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -72.73 -47.78 44.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.146 -178.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -94.62 23.82 5.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.41 0.624 . . . . 0.0 110.248 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.3 -12.71 54.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.764 -177.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -68.27 -25.13 65.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.925 0.393 . . . . 0.0 110.306 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -114.26 0.18 14.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.052 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.1 mt -112.76 97.96 6.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.077 0.465 . . . . 0.0 110.744 -177.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.947 ' HB3' ' HB3' ' A' ' 118' ' ' ARG . 0.7 OUTLIER -102.36 -34.83 9.04 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.947 176.872 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.504 ' O ' ' HA ' ' A' ' 119' ' ' VAL . 10.1 m -121.0 128.74 52.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.492 177.619 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 57.7 tp -129.85 111.84 12.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.995 0.426 . . . . 0.0 110.92 -177.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 59.6 mt -104.8 114.35 44.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.613 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.0 t -101.42 115.54 43.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.554 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -100.2 100.3 2.16 Favored Glycine 0 N--CA 1.443 -0.883 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 176.319 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.52 ' HA ' HD12 ' A' ' 124' ' ' ILE . 68.2 p -80.3 43.83 0.66 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.299 0.571 . . . . 0.0 111.775 -172.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.31 -111.21 3.66 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 111.696 -0.562 . . . . 0.0 111.696 -178.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -119.75 -15.86 8.84 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.127 0.489 . . . . 0.0 110.234 176.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -94.41 90.61 6.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.427 -179.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.461 ' HA ' ' OG1' ' A' ' 75' ' ' THR . 7.3 p -67.57 124.98 24.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.362 0.601 . . . . 0.0 111.785 -173.593 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 43.8 t90 -110.8 117.85 34.54 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.003 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 66.9 mt -87.83 120.22 36.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.244 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.404 ' HA ' ' HD3' ' A' ' 83' ' ' PRO . . . -74.36 135.04 76.13 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.238 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 82' ' ' ALA . 33.4 Cg_exo -60.49 158.93 29.61 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.94 2.427 . . . . 0.0 111.994 177.267 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 38.1 mtm-85 -61.57 -35.14 76.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.323 -175.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -65.87 -39.02 90.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.78 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.1 tp -73.93 -39.69 63.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.148 0.499 . . . . 0.0 110.014 178.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -60.8 -42.55 97.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.608 177.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -69.4 -35.32 75.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.11 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.96 -51.43 69.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.138 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.719 HD12 HD22 ' A' ' 97' ' ' LEU . 70.0 mt -69.64 -33.01 72.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.695 177.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -61.25 -30.91 70.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.29 -31.22 79.8 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 121.189 -0.529 . . . . 0.0 112.216 178.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.473 ' HB ' HG23 ' A' ' 95' ' ' VAL . 5.2 t -89.2 5.03 4.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.527 0.679 . . . . 0.0 109.383 176.615 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 93' ' ' VAL . 88.2 m-20 71.71 13.4 6.23 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 114.823 -1.08 . . . . 0.0 111.623 -179.171 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.496 ' HB ' ' HB3' ' A' ' 90' ' ' LEU . 56.0 t -76.23 110.13 11.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.041 0.448 . . . . 0.0 109.821 177.137 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.6 t -77.5 96.53 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.993 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.719 HD22 HD12 ' A' ' 90' ' ' LEU . 48.1 tp -90.22 138.26 31.67 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.174 -179.266 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -139.12 142.48 38.07 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 172.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.8 p -106.17 109.37 21.29 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -175.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.459 ' O ' ' HA2' ' A' ' 74' ' ' GLY . 21.1 mmt -132.56 -177.51 4.51 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.26 0.552 . . . . 0.0 111.577 -174.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -103.5 161.81 13.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.465 -0.788 . . . . 0.0 108.968 172.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.501 ' O ' HG13 ' A' ' 106' ' ' ILE . 7.5 p -52.43 -62.41 1.66 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -171.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -46.88 -64.23 2.8 Favored Glycine 0 CA--C 1.523 0.579 0 O-C-N 123.476 0.485 . . . . 0.0 113.914 -177.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.4 -36.78 94.65 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.772 2.315 . . . . 0.0 112.936 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.2 -42.63 75.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.431 -177.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 102' ' ' THR . 79.1 mt -59.8 -49.77 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-O 120.917 0.389 . . . . 0.0 110.742 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -61.46 -43.57 98.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.714 -178.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 33.0 m -64.48 -42.35 95.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.651 178.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -59.22 -43.01 92.32 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.985 178.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.4 ' O ' HG22 ' A' ' 113' ' ' ILE . 96.5 m-20 -62.5 -33.94 75.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.283 -179.171 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 54.4 mt -72.94 -42.82 60.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.905 0.383 . . . . 0.0 110.837 175.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 57.1 mtt -72.27 -30.19 64.6 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -175.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.4 HD12 ' HA ' ' A' ' 113' ' ' ILE . 10.9 tp -67.43 -8.47 8.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 CA-C-O 121.231 0.539 . . . . 0.0 110.959 -178.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -121.26 25.11 7.13 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.998 -0.62 . . . . 0.0 111.886 175.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -148.77 -36.15 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.969 0.414 . . . . 0.0 111.162 -177.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -145.05 79.07 1.58 Allowed 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -74.32 60.98 0.86 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.496 -175.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.947 ' HB3' ' HB3' ' A' ' 69' ' ' ASP . 79.0 mtt180 -135.2 14.78 3.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.244 175.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.504 ' HA ' ' O ' ' A' ' 70' ' ' THR . 7.4 p -107.34 134.01 50.35 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-N 114.847 -1.069 . . . . 0.0 111.963 -169.382 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -118.38 147.66 43.31 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.267 173.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -120.44 123.63 43.46 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.981 0.419 . . . . 0.0 111.477 -175.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -108.0 115.33 29.94 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 176.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 90.1 mt -114.38 123.31 49.15 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.922 0.392 . . . . 0.0 111.31 -175.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.52 HD12 ' HA ' ' A' ' 75' ' ' THR . 62.0 mt -94.58 148.5 4.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.053 177.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -45.44 140.55 3.08 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.9 t -108.74 110.42 61.21 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.367 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -76.83 106.46 2.26 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.183 1.922 . . . . 0.0 111.377 174.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 60.2 tp -98.46 -65.0 0.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.629 -178.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.88 120.3 33.96 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.321 0.581 . . . . 0.0 109.839 -178.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -150.66 19.21 0.81 Allowed 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -101.07 -83.39 0.45 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.774 -175.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -136.15 107.25 6.74 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.311 -174.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -147.96 94.63 2.36 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.668 0.747 . . . . 0.0 111.586 -178.361 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -106.02 -36.08 7.06 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 169.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 22.6 t60 . . . . . 0 C--O 1.248 1.015 0 CA-C-N 114.358 -1.292 . . . . 0.0 108.167 175.075 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.87 84.02 4.95 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.175 0.512 . . . . 0.0 110.903 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -135.43 94.78 3.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.875 177.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.451 ' HD3' ' OE1' ' A' ' 6' ' ' GLU . 17.4 ptp180 -156.84 173.52 16.86 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.082 -179.208 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.0 m -149.81 42.76 0.88 Allowed 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.601 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.451 ' OE1' ' HD3' ' A' ' 4' ' ' ARG . 22.9 mt-10 -71.19 -69.85 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 173.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.8 pt -136.88 90.1 16.58 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.664 173.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -82.38 13.33 2.58 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.873 2.382 . . . . 0.0 113.15 -174.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -160.56 114.09 2.09 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.813 ' HB2' ' HB1' ' A' ' 41' ' ' ALA . 94.6 m-85 -65.18 136.62 96.64 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.966 -178.61 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 10' ' ' PHE . 4.3 Cg_exo -82.0 40.87 1.03 Allowed 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 123.661 2.908 . . . . 0.0 113.315 -175.411 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 68.48 104.74 0.05 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.358 0.599 . . . . 0.0 111.294 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.7 m -137.89 117.75 13.25 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.768 178.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -121.56 11.69 10.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.011 0.434 . . . . 0.0 110.73 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.18 115.66 28.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.347 -176.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.5 HD12 HG23 ' A' ' 106' ' ' ILE . 73.0 mt -107.75 126.86 64.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.633 178.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.472 ' H ' ' HA ' ' A' ' 26' ' ' PHE . 24.0 t70 -83.57 -55.68 4.15 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.511 -170.423 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -139.21 150.25 45.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.013 0.435 . . . . 0.0 111.28 -176.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -127.16 118.51 24.48 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.991 177.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 160.68 -105.56 0.27 Allowed Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.43 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -67.81 127.57 33.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.8 0.333 . . . . 0.0 110.724 -178.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.36 -5.49 80.78 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.904 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.19 -84.96 1.19 Allowed Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.65 -178.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -120.34 136.2 54.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.738 0.304 . . . . 0.0 110.75 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.427 ' CD1' ' HB2' ' A' ' 30' ' ' SER . 21.0 t80 -133.28 125.82 30.11 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 174.177 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.472 ' HA ' ' H ' ' A' ' 17' ' ' ASP . 41.7 p90 -139.2 177.39 7.94 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.789 -179.522 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.49 90.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.455 0.472 . . . . 0.0 110.26 177.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 150.59 -76.58 0.24 Allowed Glycine 0 N--CA 1.442 -0.915 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.942 -177.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -147.69 176.08 10.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.906 0.384 . . . . 0.0 111.656 -175.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.427 ' HB2' ' CD1' ' A' ' 25' ' ' TYR . 31.3 t -129.99 141.26 50.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.4 176.535 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 -167.72 154.11 7.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.617 0.246 . . . . 0.0 110.837 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.15 -163.18 0.8 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 175.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.71 -147.27 19.77 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.71 -0.757 . . . . 0.0 111.836 178.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.53 ' HB3' ' HE3' ' A' ' 45' ' ' TRP . 46.3 m -126.0 140.66 52.43 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.823 0.344 . . . . 0.0 110.229 178.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 97.7 mt -120.66 138.12 54.1 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.69 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.807 ' HG ' ' HB2' ' A' ' 45' ' ' TRP . 79.9 mt -99.83 96.43 7.58 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.88 178.395 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.429 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 84.4 m-85 -85.23 92.1 8.33 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.376 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.437 HD23 ' HB1' ' A' ' 120' ' ' ALA . 79.0 mt -102.34 156.82 34.78 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 115.239 -0.892 . . . . 0.0 109.678 -179.242 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -62.8 -11.89 26.31 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.516 2.144 . . . . 0.0 111.886 176.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -90.65 -57.56 2.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.061 177.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.813 ' HB1' ' HB2' ' A' ' 10' ' ' PHE . . . -161.82 172.9 15.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.015 -176.109 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.7 t -91.78 101.28 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.38 176.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -99.33 153.58 18.86 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.484 -177.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.36 126.55 8.29 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.034 -178.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.807 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 3.6 t90 -106.18 106.9 17.64 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.503 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -78.32 73.38 4.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.471 0.653 . . . . 0.0 110.892 -175.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 99.5 t -139.92 128.25 26.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.216 176.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.3 m -105.76 -7.26 18.46 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.125 0.488 . . . . 0.0 111.202 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -123.15 117.31 28.3 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.269 -176.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -62.75 -22.37 73.84 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.507 2.138 . . . . 0.0 111.685 175.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -70.83 -21.05 62.5 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.692 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -98.5 20.0 13.54 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.811 -173.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.436 HD11 HD11 ' A' ' 124' ' ' ILE . 70.7 mt -75.99 113.21 14.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 174.508 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -144.75 -173.28 4.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.502 -175.304 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 33.7 mtp-105 -65.37 -36.6 84.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.25 -177.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -69.73 -43.75 71.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.785 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.1 p -73.67 -28.57 61.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.345 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.419 HD12 HD11 ' A' ' 86' ' ' LEU . 84.7 mt -89.13 14.99 9.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.523 179.277 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -54.76 -37.05 65.5 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.101 0.477 . . . . 0.0 110.605 178.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.615 ' HE ' ' HA ' ' A' ' 60' ' ' ARG . 1.0 OUTLIER -63.76 -30.03 71.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.611 -179.284 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.2 t -74.38 -37.88 45.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.241 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -61.37 -36.92 81.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.535 176.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -55.13 -58.72 6.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.389 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.402 ' OD1' ' HB3' ' A' ' 67' ' ' ALA . 8.5 t-20 -96.13 18.23 14.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.126 -172.256 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.19 -22.47 61.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.971 0.415 . . . . 0.0 111.814 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -69.93 -15.74 63.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 178.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.402 ' HB3' ' OD1' ' A' ' 64' ' ' ASN . . . -118.77 4.61 11.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.668 178.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.2 mt -116.5 111.13 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.221 0.534 . . . . 0.0 110.517 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.911 ' HB2' ' HD3' ' A' ' 118' ' ' ARG . 12.2 t70 -95.62 -55.71 2.93 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.364 177.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.0 m -110.82 130.97 55.43 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.166 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.535 HD23 HD12 ' A' ' 97' ' ' LEU . 62.7 tp -119.36 114.37 22.24 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.883 0.373 . . . . 0.0 110.384 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 72.9 mt -95.81 121.97 46.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.006 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 96.2 t -106.42 121.89 59.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.719 0.295 . . . . 0.0 110.57 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -101.36 91.31 0.92 Allowed Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.827 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.431 HG21 ' H ' ' A' ' 80' ' ' TRP . 3.6 t -79.09 130.09 35.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.154 0.502 . . . . 0.0 110.775 -178.396 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -96.48 161.23 22.14 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.71 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.591 ' HB2' ' HD2' ' A' ' 127' ' ' PRO . . . 75.86 -43.51 0.48 Allowed 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.187 0.995 . . . . 0.0 111.322 178.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -163.26 -175.28 4.19 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 42.3 t -97.96 102.76 13.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.831 0.348 . . . . 0.0 110.58 -177.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.431 ' H ' HG21 ' A' ' 75' ' ' THR . 85.8 t90 -88.03 123.18 32.46 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 174.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.1 mp -96.14 121.24 46.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.075 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.407 ' HA ' ' HD3' ' A' ' 83' ' ' PRO . . . -64.74 127.24 92.33 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.583 177.402 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 82' ' ' ALA . 53.1 Cg_exo -55.66 154.86 23.83 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.187 2.591 . . . . 0.0 111.989 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.1 ptt85 -62.47 -38.9 91.64 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.03 -174.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -59.09 -46.12 89.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.777 0.322 . . . . 0.0 111.271 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.419 HD11 HD12 ' A' ' 58' ' ' LEU . 66.6 tp -63.8 -39.35 94.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.204 0.526 . . . . 0.0 110.11 178.559 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 87' ' ' ARG . 12.8 ttm180 -70.72 -44.15 67.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.994 -177.51 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -68.1 -30.83 70.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.052 -178.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.55 -48.79 71.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.057 0.456 . . . . 0.0 110.287 176.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.9 mt -67.44 -38.47 84.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.622 177.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.431 ' HD2' ' HA ' ' A' ' 91' ' ' ARG . 8.5 tpt180 -63.94 -26.3 68.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.639 179.287 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -63.92 -24.46 68.45 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.963 -0.637 . . . . 0.0 111.858 175.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.439 ' HB ' HG23 ' A' ' 95' ' ' VAL . 4.4 t -99.09 7.13 8.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.306 0.574 . . . . 0.0 109.541 176.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 68.73 20.24 8.22 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.56 -178.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.439 HG23 ' HB ' ' A' ' 93' ' ' VAL . 53.6 t -84.15 106.85 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 175.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.3 t -83.6 90.87 2.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.567 -177.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.535 HD12 HD23 ' A' ' 71' ' ' LEU . 9.9 tt -84.13 126.68 33.33 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.911 177.235 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -133.8 126.32 30.34 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 176.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.7 t -110.49 138.1 47.32 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.124 0.488 . . . . 0.0 111.551 -173.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.5 pmm? -154.53 177.9 10.68 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 176.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -61.63 148.86 41.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.571 0.225 . . . . 0.0 110.748 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -51.66 -40.11 59.42 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -175.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -57.66 -67.1 2.38 Favored Glycine 0 CA--C 1.523 0.552 0 C-N-CA 121.181 -0.533 . . . . 0.0 112.837 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.43 -30.69 64.92 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.799 2.332 . . . . 0.0 112.929 176.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.25 -48.28 80.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.697 0.284 . . . . 0.0 111.097 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.5 HG23 HD12 ' A' ' 16' ' ' ILE . 76.5 mt -61.23 -39.08 81.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-O 121.361 0.601 . . . . 0.0 110.175 177.666 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -60.81 -57.9 10.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.049 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 83.5 m -60.59 -36.83 79.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.395 -178.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -61.96 -43.24 99.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.815 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -61.01 -39.71 90.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.756 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 74.4 mt -65.17 -43.69 95.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.903 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.571 ' HA ' ' CE ' ' A' ' 112' ' ' MET . 10.4 mmt -66.76 -43.42 84.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.322 -179.17 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 37.3 mm -64.65 -33.24 61.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.11 0.481 . . . . 0.0 110.283 177.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -84.69 16.7 34.64 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.422 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -121.63 -61.06 1.55 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.72 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -140.42 -102.66 0.15 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.093 0.473 . . . . 0.0 111.322 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 176.73 -161.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -175.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.911 ' HD3' ' HB2' ' A' ' 69' ' ' ASP . 15.4 ttt-85 65.69 25.88 11.48 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.477 0.656 . . . . 0.0 109.807 178.514 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.426 HG11 ' HB3' ' A' ' 112' ' ' MET . 7.2 p -128.06 139.86 50.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.551 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.437 ' HB1' HD23 ' A' ' 38' ' ' LEU . . . -130.78 156.89 44.22 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.465 -178.322 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.429 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -129.04 121.32 27.65 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.05 0.453 . . . . 0.0 111.443 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -100.45 95.97 7.09 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 173.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 86.0 mt -103.18 130.62 50.42 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 -172.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.436 HD11 HD11 ' A' ' 53' ' ' ILE . 56.7 mt -113.56 133.98 57.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.195 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.03 154.86 40.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.223 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.536 HG12 ' H ' ' A' ' 77' ' ' ALA . 15.3 m -90.01 118.27 68.75 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.492 -177.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.591 ' HD2' ' HB2' ' A' ' 77' ' ' ALA . 32.5 Cg_exo -59.35 110.35 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.784 2.323 . . . . 0.0 111.374 172.496 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 92.9 mt -86.53 20.24 2.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.613 -175.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -123.79 -114.58 0.3 Allowed 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.666 -178.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 68.84 -51.74 0.58 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.736 0.814 . . . . 0.0 110.329 -173.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -139.95 94.95 2.82 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 172.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -109.69 170.36 8.11 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.508 -178.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 57.5 m170 -107.92 167.49 9.94 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 173.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -95.4 -66.78 0.89 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 174.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 . . . . . 0 C--O 1.249 1.063 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.017 176.866 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.5 mmt . . . . . 0 N--CA 1.482 1.163 0 CA-C-O 120.288 0.089 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.55 -98.09 0.07 Allowed 'General case' 0 N--CA 1.463 0.185 0 O-C-N 123.612 0.57 . . . . 0.0 111.258 -177.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.483 ' O ' ' HB3' ' A' ' 4' ' ' ARG . 75.6 mm-40 -135.67 21.68 3.34 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 177.102 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.483 ' HB3' ' O ' ' A' ' 3' ' ' GLN . 10.1 ttp180 70.56 159.16 0.19 Allowed 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.817 0.698 . . . . 0.0 109.565 -173.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 m 66.26 42.45 3.06 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.454 0.645 . . . . 0.0 109.773 -177.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -68.46 112.6 5.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.047 -178.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.454 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 18.4 pt -111.13 125.73 30.04 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.942 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 7' ' ' ILE . 48.1 Cg_endo -88.41 100.63 0.41 Allowed 'Trans proline' 0 N--CA 1.455 -0.775 0 C-N-CA 122.957 2.438 . . . . 0.0 112.865 -177.318 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -134.88 118.9 17.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.491 177.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.482 ' HZ ' ' HG3' ' A' ' 29' ' ' MET . 89.7 m-85 -110.4 119.51 46.58 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.577 178.309 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -79.34 70.56 7.45 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.582 2.188 . . . . 0.0 112.3 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? 62.76 96.86 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.863 -178.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.2 t -139.36 138.42 36.6 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.023 175.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -146.66 19.69 1.31 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.988 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.52 102.11 14.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.695 -177.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 70.6 mt -102.8 111.72 33.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.563 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -75.65 -44.56 41.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.649 -177.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -162.31 168.29 22.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.616 179.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -149.14 157.68 43.58 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 175.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 154.89 -115.54 0.67 Allowed Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.154 -1.022 . . . . 0.0 112.699 176.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.502 ' HA ' HD21 ' A' ' 128' ' ' LEU . 2.3 tmtp? -69.68 104.55 2.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.905 0.384 . . . . 0.0 110.162 -176.082 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.458 ' O ' ' HA ' ' A' ' 31' ' ' HIS . . . 110.7 -9.05 30.08 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.043 176.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.24 -144.27 18.0 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.301 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -95.81 149.23 21.75 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.189 0.519 . . . . 0.0 111.408 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -119.05 105.74 11.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.107 176.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -142.15 177.14 8.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.415 -177.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.05 127.23 31.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.984 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.45 -67.06 0.25 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.256 178.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.482 ' HG3' ' HZ ' ' A' ' 10' ' ' PHE . 64.1 mtt -124.65 163.18 22.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.199 0.523 . . . . 0.0 111.104 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.8 m -154.27 173.13 16.56 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 176.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.458 ' HA ' ' O ' ' A' ' 22' ' ' GLY . 40.6 t-80 68.05 26.0 7.39 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.634 0.73 . . . . 0.0 110.187 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.447 ' HB3' HD21 ' A' ' 35' ' ' LEU . 16.6 mm-40 -101.11 124.3 46.6 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.351 177.261 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.44 -57.68 2.3 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.75 -174.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.0 m -114.73 119.97 38.49 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.11 0.481 . . . . 0.0 110.303 -177.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.447 HD21 ' HB3' ' A' ' 32' ' ' GLN . 96.4 mt -129.15 145.71 51.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.114 0.483 . . . . 0.0 111.535 -175.59 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.762 ' HB2' ' HB2' ' A' ' 45' ' ' TRP . 1.6 tt -110.28 101.16 9.92 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 175.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -80.54 112.34 17.8 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.46 -178.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.531 HD12 ' CD1' ' A' ' 43' ' ' TRP . 65.8 mt -104.57 155.85 36.77 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 109.695 -0.484 . . . . 0.0 109.695 176.447 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -61.4 -11.54 20.08 Favored 'Trans proline' 0 CA--C 1.532 0.382 0 C-N-CA 122.946 2.43 . . . . 0.0 113.581 -177.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -103.32 -39.21 6.9 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.766 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -164.12 168.44 19.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.042 0.448 . . . . 0.0 111.023 -176.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.5 t -93.79 122.34 45.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.657 177.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.531 ' CD1' HD12 ' A' ' 38' ' ' LEU . 62.2 m95 -109.78 150.99 27.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.887 0.375 . . . . 0.0 110.655 -178.497 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.01 125.42 6.86 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.446 178.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.762 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 23.2 t90 -127.1 85.85 2.42 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -177.068 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -76.82 80.22 3.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.358 0.599 . . . . 0.0 111.636 -170.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.5 t -131.37 107.52 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.01 173.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.7 m -81.55 -31.39 32.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.03 -173.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 50' ' ' PRO . 47.9 mttm -100.9 124.32 42.3 Favored Pre-proline 0 C--N 1.326 -0.437 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -178.033 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 49' ' ' LYS . 34.4 Cg_endo -66.78 -19.22 53.3 Favored 'Trans proline' 0 CA--C 1.527 0.157 0 C-N-CA 122.293 1.996 . . . . 0.0 110.864 171.585 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -79.39 -12.37 59.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.102 -0.953 . . . . 0.0 110.081 178.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 52' ' ' GLN . 33.6 tt0 -97.85 16.22 21.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.761 -171.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 65.0 mt -83.13 114.77 24.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.135 0.493 . . . . 0.0 111.084 -177.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.414 ' CG ' ' H ' ' A' ' 55' ' ' ARG . 21.2 t70 -146.51 -169.63 3.32 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 55' ' ' ARG . 7.4 mmm180 -56.06 -38.35 70.51 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.959 0.409 . . . . 0.0 110.844 177.229 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -58.4 -38.41 77.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.946 178.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.18 -36.82 22.56 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.099 -177.024 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.516 HD13 HD21 ' A' ' 90' ' ' LEU . 87.7 mt -97.46 15.36 23.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.528 -175.522 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -60.06 -42.13 93.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.155 0.502 . . . . 0.0 110.009 -179.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -68.01 -28.91 67.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.726 177.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.446 HG21 HD22 ' A' ' 58' ' ' LEU . 84.1 t -68.59 -49.69 62.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.634 -178.676 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -63.93 -36.11 82.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.093 0.473 . . . . 0.0 110.535 177.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.66 -33.41 75.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.624 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -108.55 13.05 25.6 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.356 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.86 -14.74 62.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.141 0.496 . . . . 0.0 111.11 -178.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -67.71 -15.73 63.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.99 177.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -117.56 13.31 14.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.121 0.486 . . . . 0.0 110.512 178.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.6 mt -121.0 143.14 34.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.035 -175.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.403 ' N ' ' HG2' ' A' ' 118' ' ' ARG . 13.1 t70 -123.75 -53.36 1.77 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.284 171.234 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.488 ' HA ' ' HB ' ' A' ' 96' ' ' VAL . 27.8 m -108.78 126.39 52.98 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.076 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.472 HD22 ' HB3' ' A' ' 120' ' ' ALA . 0.8 OUTLIER -110.24 112.55 24.59 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.534 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.489 ' HA ' ' O ' ' A' ' 98' ' ' ASP . 64.2 mt -100.04 128.57 51.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.157 -179.368 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.435 ' HB ' HG23 ' A' ' 99' ' ' THR . 39.0 t -116.81 120.06 63.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.514 -179.464 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -100.42 93.59 1.22 Allowed Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 176.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.604 HG21 ' HB3' ' A' ' 80' ' ' TRP . 22.4 p -82.89 55.26 3.0 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.14 0.495 . . . . 0.0 112.062 -173.103 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 77.47 -140.54 24.55 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.324 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.64 7.6 45.18 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.187 0.518 . . . . 0.0 110.701 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -127.4 163.38 24.16 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.885 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.659 HG13 ' HA ' ' A' ' 100' ' ' MET . 41.4 t -103.59 98.95 7.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.011 0.434 . . . . 0.0 109.861 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.604 ' HB3' HG21 ' A' ' 75' ' ' THR . 66.7 t90 -86.7 124.61 33.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.622 -176.536 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 68.7 mt -89.01 111.63 23.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.568 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.63 133.1 91.47 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.304 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -63.22 156.32 56.22 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.04 2.493 . . . . 0.0 112.094 178.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -52.46 -38.22 58.81 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.659 -178.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -51.47 -58.68 5.6 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.145 0.498 . . . . 0.0 111.151 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.468 HD11 HD12 ' A' ' 58' ' ' LEU . 37.6 tp -71.23 -40.9 70.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.804 -178.026 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -61.04 -44.87 96.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.31 -177.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -66.39 -39.33 88.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.47 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.58 -45.11 92.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.879 178.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.516 HD21 HD13 ' A' ' 58' ' ' LEU . 87.4 mt -70.11 -49.33 51.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.604 -179.359 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -74.3 -10.72 59.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.876 0.37 . . . . 0.0 111.0 -174.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.15 -26.11 70.14 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.044 -0.598 . . . . 0.0 111.84 174.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.687 ' HB ' HG23 ' A' ' 95' ' ' VAL . 6.3 t -97.87 7.64 8.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-O 121.507 0.67 . . . . 0.0 109.388 176.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.1 t30 66.62 23.92 10.22 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.359 -178.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.687 HG23 ' HB ' ' A' ' 93' ' ' VAL . 60.7 t -73.5 119.81 21.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.678 176.532 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.488 ' HB ' ' HA ' ' A' ' 70' ' ' THR . 46.3 t -71.75 110.31 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.577 -178.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 61.3 tp -91.63 114.48 27.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.559 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.489 ' O ' ' HA ' ' A' ' 72' ' ' ILE . 17.4 t70 -119.96 101.45 7.87 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.585 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.435 HG23 ' HB ' ' A' ' 73' ' ' VAL . 17.7 m -113.27 136.44 52.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.099 -176.022 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.659 ' HA ' HG13 ' A' ' 79' ' ' VAL . 22.7 ptp -166.63 -172.34 2.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.701 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -69.94 147.47 50.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.053 176.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.514 ' O ' HG13 ' A' ' 106' ' ' ILE . 81.6 m -53.45 -44.26 68.74 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.343 0.498 . . . . 0.0 112.343 -177.079 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -52.72 -66.61 2.56 Favored Glycine 0 CA--C 1.525 0.707 0 C-N-CA 121.156 -0.545 . . . . 0.0 113.038 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.6 -33.88 88.35 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.641 2.227 . . . . 0.0 112.521 175.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.05 -41.78 99.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.923 179.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.514 HG13 ' O ' ' A' ' 102' ' ' THR . 78.6 mt -59.23 -49.42 83.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.532 177.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 107' ' ' ARG . 67.1 mtt-85 -59.3 -48.03 83.15 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.817 0.341 . . . . 0.0 110.621 178.356 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 36.8 m -61.92 -49.44 76.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.32 -178.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -61.44 -44.9 96.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.673 -0.239 . . . . 0.0 110.98 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -56.25 -40.97 75.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.148 -178.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 69.1 mt -75.81 -44.41 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.639 178.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 76.8 mmm -60.21 -47.3 86.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.818 -178.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' A' ' 117' ' ' ARG . 11.4 tp -71.79 -22.95 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.995 0.426 . . . . 0.0 110.601 -177.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.08 -33.07 41.92 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.36 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -101.87 -68.86 0.8 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -177.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -85.75 -36.33 20.22 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -171.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.529 ' HA ' HD12 ' A' ' 113' ' ' ILE . 98.7 mtt180 66.11 -164.03 0.24 Allowed 'General case' 0 N--CA 1.463 0.203 0 O-C-N 123.611 0.569 . . . . 0.0 110.237 -175.139 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.403 ' HG2' ' N ' ' A' ' 69' ' ' ASP . 58.5 ttt180 56.95 32.4 21.5 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 122.386 1.089 . . . . 0.0 110.162 -178.564 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.01 133.71 68.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 114.836 -1.074 . . . . 0.0 109.544 178.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.472 ' HB3' HD22 ' A' ' 71' ' ' LEU . . . -116.95 136.72 52.73 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.944 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -119.47 114.74 22.75 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.083 0.468 . . . . 0.0 111.625 -176.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -95.71 99.21 11.08 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 174.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 85.8 mt -108.6 130.95 55.31 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.941 -174.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 63.0 mt -116.58 119.56 62.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.11 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -79.27 172.81 13.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.84 0.353 . . . . 0.0 110.983 178.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.404 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . 28.1 m -64.63 142.71 98.54 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.439 -178.04 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 126' ' ' VAL . 14.4 Cg_exo -70.0 -12.51 32.58 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 123.258 2.639 . . . . 0.0 112.938 -177.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.502 HD21 ' HA ' ' A' ' 21' ' ' LYS . 91.6 mt 73.63 -48.76 0.68 Allowed 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.745 0.818 . . . . 0.0 112.168 178.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -65.99 154.49 39.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.179 0.514 . . . . 0.0 111.136 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -158.95 -179.87 8.44 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.202 -172.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -63.25 133.21 53.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.984 0.421 . . . . 0.0 110.76 178.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -143.87 -30.59 0.48 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.734 -176.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -86.5 113.04 22.1 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.179 0.514 . . . . 0.0 111.133 -176.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -116.58 -35.58 4.19 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 168.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 86.4 t60 . . . . . 0 C--O 1.25 1.087 0 CA-C-N 114.812 -1.086 . . . . 0.0 108.681 176.417 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 mmt . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.97 -66.4 0.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.797 -175.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -121.01 115.29 22.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.336 -175.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -70.4 92.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.489 0.661 . . . . 0.0 111.26 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -112.29 82.2 1.6 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.018 173.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -97.31 -16.33 20.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.799 -173.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.91 ' HB ' ' HD3' ' A' ' 8' ' ' PRO . 50.6 mm -55.18 -60.75 7.36 Favored Pre-proline 0 CA--C 1.536 0.414 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.005 -179.453 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.91 ' HD3' ' HB ' ' A' ' 7' ' ' ILE . 44.0 Cg_endo -95.64 95.27 0.1 OUTLIER 'Trans proline' 0 N--CA 1.445 -1.334 0 C-N-CA 122.478 2.119 . . . . 0.0 112.349 177.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 61.8 m-70 -64.2 -40.53 96.28 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 174.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.461 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 91.9 m-85 -126.53 126.34 24.56 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 167.532 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 10' ' ' PHE . 11.5 Cg_exo -71.22 56.83 2.1 Favored 'Trans proline' 0 N--CA 1.474 0.379 0 C-N-CA 123.712 2.942 . . . . 0.0 114.06 -171.255 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 71.6 mtt180 49.08 65.93 1.24 Allowed 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 123.092 0.557 . . . . 0.0 112.036 176.392 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.555 HG21 ' HB2' ' A' ' 26' ' ' PHE . 23.5 m -90.19 103.36 16.05 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.336 -179.456 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -106.94 10.67 30.43 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.09 178.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -120.73 104.94 10.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.543 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 72.0 mt -99.94 133.95 41.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 176.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.28 -36.33 10.93 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.746 0.308 . . . . 0.0 111.648 -176.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.435 ' HB3' ' HB3' ' A' ' 25' ' ' TYR . . . -142.16 123.61 14.88 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -177.426 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.7 p90 -105.88 120.2 41.14 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 169.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.22 -150.76 19.79 Favored Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 109.963 -1.255 . . . . 0.0 109.963 -171.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt 68.96 -61.92 0.41 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 122.831 0.452 . . . . 0.0 111.321 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -142.62 8.91 2.33 Favored Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 174.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.486 ' HA3' ' HA ' ' A' ' 32' ' ' GLN . . . 131.13 -107.62 0.76 Allowed Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.349 -0.701 . . . . 0.0 111.349 -177.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -128.18 126.87 41.88 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 173.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.435 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 29.0 t80 -111.7 103.43 11.72 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.252 0.548 . . . . 0.0 109.858 174.415 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.555 ' HB2' HG21 ' A' ' 13' ' ' THR . 33.6 p90 -120.24 177.17 5.12 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 176.397 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.68 102.32 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.056 0.455 . . . . 0.0 110.981 177.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.2 -103.08 0.3 Allowed Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.402 -174.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 48.8 ttm -147.77 157.73 43.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.938 0.369 . . . . 0.0 110.311 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.45 126.58 29.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.067 0.461 . . . . 0.0 111.197 177.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 63.0 t-80 -140.91 112.42 7.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.172 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.486 ' HA ' ' HA3' ' A' ' 23' ' ' GLY . 13.9 pt20 -70.7 166.68 20.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.611 0.243 . . . . 0.0 110.615 177.378 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 116.41 -127.56 7.55 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.77 -0.728 . . . . 0.0 111.807 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.453 ' OG ' ' HB3' ' A' ' 45' ' ' TRP . 13.8 p -147.99 155.49 41.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.745 0.307 . . . . 0.0 110.523 178.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 96.3 mt -135.06 151.66 50.96 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.823 -178.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.1 mt -111.48 102.08 10.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.124 178.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 109' ' ' TYR . 93.5 m-85 -91.85 96.48 10.42 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.118 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.57 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 56.3 mt -84.74 162.49 50.05 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -179.51 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.57 ' HD2' ' HB3' ' A' ' 38' ' ' LEU . 30.0 Cg_endo -64.89 -11.21 28.39 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.367 2.044 . . . . 0.0 113.168 -178.202 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.504 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 35.0 t70 -113.35 -54.6 2.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.492 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -138.3 167.27 22.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.782 0.325 . . . . 0.0 110.92 -177.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.457 ' HB ' ' HB2' ' A' ' 10' ' ' PHE . 50.3 t -102.0 142.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.262 -179.063 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -131.81 164.71 25.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.191 177.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.49 146.9 18.35 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.479 176.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.453 ' HB3' ' OG ' ' A' ' 34' ' ' SER . 2.1 t90 -111.77 153.42 26.55 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -106.48 19.87 19.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.292 0.567 . . . . 0.0 111.047 -173.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.532 HG13 ' HB2' ' A' ' 52' ' ' GLN . 56.0 t -99.64 135.6 34.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.456 -176.147 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.9 m -113.51 -43.74 3.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.093 0.473 . . . . 0.0 110.506 177.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.421 ' HB2' ' HG3' ' A' ' 52' ' ' GLN . 44.3 mtpt -99.96 142.51 24.76 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.665 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -57.08 -29.73 84.19 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.694 2.263 . . . . 0.0 112.111 175.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -64.46 -24.63 67.69 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.154 176.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.532 ' HB2' HG13 ' A' ' 47' ' ' VAL . 98.5 mt-30 -81.83 4.25 22.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.621 -174.64 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 71.7 mt -73.38 95.58 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 173.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.495 ' H ' ' HB2' ' A' ' 57' ' ' SER . 15.9 t70 -123.08 163.98 19.49 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.649 -174.256 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -58.37 -34.54 70.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.37 . . . . 0.0 110.934 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -86.61 -14.65 42.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.222 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.495 ' HB2' ' H ' ' A' ' 54' ' ' ASP . 17.4 m -79.26 -28.58 42.39 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 170.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.5 mt -92.23 24.38 3.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.946 175.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -54.85 -47.77 73.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.716 -175.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' A' ' 60' ' ' ARG . 43.1 ttm180 -71.36 -20.99 62.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.107 0.48 . . . . 0.0 110.442 -178.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 99.9 t -73.15 -38.8 55.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.806 176.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -75.16 -22.18 58.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.757 176.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.47 -49.17 72.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.317 0.579 . . . . 0.0 109.709 174.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.497 ' HB3' ' HB3' ' A' ' 67' ' ' ALA . 19.8 m120 -100.93 40.59 1.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.9 175.389 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.03 -60.72 2.27 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -171.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -86.67 1.97 50.13 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.177 0.513 . . . . 0.0 110.946 -173.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.497 ' HB3' ' HB3' ' A' ' 64' ' ' ASN . . . -85.5 -23.93 27.55 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 171.63 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.456 HD11 HD22 ' A' ' 38' ' ' LEU . 69.0 mt -102.21 85.97 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.022 173.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.423 ' HB3' ' HG2' ' A' ' 118' ' ' ARG . 12.9 t70 -74.66 -42.43 58.51 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.207 0.527 . . . . 0.0 110.203 -176.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 77.4 m -114.98 127.26 55.57 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.915 174.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.6 tp -117.22 111.12 18.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.015 0.436 . . . . 0.0 110.224 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 59.4 mt -98.08 124.58 51.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.718 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 66.9 t -111.67 126.46 69.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.62 0.248 . . . . 0.0 110.822 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -103.47 103.22 2.31 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 175.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.2 p -68.87 -41.75 77.94 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -172.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.465 ' HA2' HG22 ' A' ' 126' ' ' VAL . . . 91.92 115.02 2.06 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.585 -0.817 . . . . 0.0 113.303 177.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 79.21 -47.22 0.39 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.108 0.963 . . . . 0.0 111.643 173.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -138.72 156.95 46.96 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.788 -178.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.0 t -90.31 99.06 8.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.938 0.399 . . . . 0.0 110.719 -178.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -76.0 130.9 39.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.9 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 6.7 tp -88.43 125.53 41.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.149 0.5 . . . . 0.0 110.734 -177.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.441 ' HA ' ' HD3' ' A' ' 83' ' ' PRO . . . -79.77 129.35 71.26 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.453 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 82' ' ' ALA . 51.4 Cg_exo -55.82 148.05 58.31 Favored 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 123.003 2.468 . . . . 0.0 112.508 179.258 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 84' ' ' ARG . 42.8 mtm180 -60.79 -37.64 82.59 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.904 -176.534 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.5 ' HA ' ' OE1' ' A' ' 85' ' ' GLN . 11.8 mm-40 -66.41 -32.47 73.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.772 0.32 . . . . 0.0 111.143 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.0 tp -69.13 -43.97 73.31 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 87' ' ' ARG . 41.8 ttm180 -66.31 -42.26 88.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.538 177.253 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -56.11 -45.21 79.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.207 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.481 ' O ' HG23 ' A' ' 93' ' ' VAL . . . -67.7 -46.67 71.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.278 -179.59 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.475 HD12 HD22 ' A' ' 97' ' ' LEU . 84.8 mt -62.53 -40.28 96.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.139 -179.221 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 91' ' ' ARG . 33.4 ttp180 -69.63 -27.24 64.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.02 0.438 . . . . 0.0 109.921 178.089 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -69.56 -30.51 70.95 Favored Glycine 0 C--N 1.331 0.274 0 N-CA-C 111.605 -0.598 . . . . 0.0 111.605 175.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 89' ' ' ALA . 21.2 t -82.34 -6.45 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 174.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 64.2 t30 69.86 33.89 2.73 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.572 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 70.1 t -98.51 120.93 48.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.808 175.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 49.6 t -77.15 100.87 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.866 0.365 . . . . 0.0 110.247 -179.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.475 HD22 HD12 ' A' ' 90' ' ' LEU . 45.9 tp -86.54 134.73 33.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.451 179.092 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -139.13 116.56 11.26 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 174.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.4 p -100.6 120.31 39.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.408 -177.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 72.8 mtm -140.33 -173.18 3.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.272 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -79.74 160.61 26.16 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.772 173.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.532 ' O ' HG13 ' A' ' 106' ' ' ILE . 3.2 m -59.71 -43.16 94.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.15 -173.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.69 -64.19 4.63 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 121.455 -0.403 . . . . 0.0 113.575 -177.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.39 -31.82 86.63 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.668 2.246 . . . . 0.0 112.714 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.42 -47.06 77.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.119 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 102' ' ' THR . 78.4 mt -58.12 -47.04 88.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 121.014 0.435 . . . . 0.0 110.79 179.364 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.418 ' O ' HG13 ' A' ' 111' ' ' ILE . 66.4 ttt180 -63.28 -47.23 83.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.926 -176.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 26.9 m -63.61 -38.13 89.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -178.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 37' ' ' PHE . 72.3 t80 -58.53 -51.63 69.05 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.652 177.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -60.54 -41.97 95.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.193 -178.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 107' ' ' ARG . 81.9 mt -60.97 -44.83 98.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.13 -179.341 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 22.6 mmt -71.64 -40.44 69.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.406 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.451 HD13 ' HA ' ' A' ' 117' ' ' ARG . 28.5 mm -62.67 -31.42 52.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-O 120.98 0.419 . . . . 0.0 110.927 178.74 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -81.79 7.08 63.45 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.544 178.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -131.41 -81.07 0.52 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 117.055 0.428 . . . . 0.0 110.894 -178.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -107.22 -17.93 14.02 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -174.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.451 ' HA ' HD13 ' A' ' 113' ' ' ILE . 44.0 mtp85 60.14 -136.79 0.69 Allowed 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -173.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.423 ' HG2' ' HB3' ' A' ' 69' ' ' ASP . 73.3 ttt180 64.31 22.16 12.71 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 122.271 1.034 . . . . 0.0 110.591 174.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 9.7 p -137.31 144.79 30.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.869 -176.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.438 ' HB2' ' HD3' ' A' ' 39' ' ' PRO . . . -128.52 152.42 48.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.427 177.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -124.35 121.43 34.95 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.003 0.43 . . . . 0.0 111.246 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -99.72 102.46 13.93 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 174.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 85.1 mt -110.24 124.36 51.47 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.695 -171.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 55.0 mt -100.57 141.84 16.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.338 173.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.61 130.32 42.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.891 0.377 . . . . 0.0 111.269 -178.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.465 HG22 ' HA2' ' A' ' 76' ' ' GLY . 46.7 t -68.45 121.9 82.45 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.282 177.343 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 126' ' ' VAL . 9.4 Cg_endo -54.62 136.82 72.08 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.702 2.268 . . . . 0.0 111.603 176.078 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 7.2 mp -66.28 104.65 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.014 -176.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 68.3 -80.09 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.794 0.684 . . . . 0.0 111.285 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -146.8 -175.63 4.88 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -177.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 64.1 m170 -66.62 166.28 13.16 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 172.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -110.22 92.28 3.98 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -174.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -107.64 2.46 23.91 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 167.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -112.23 128.25 56.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.623 -1.172 . . . . 0.0 110.129 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 . . . . . 0 C--O 1.245 0.829 0 CA-C-O 118.513 -0.756 . . . . 0.0 110.008 174.674 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.9 ttm . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 120.845 0.355 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.34 97.98 8.6 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.008 0.432 . . . . 0.0 111.093 -177.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -122.87 -163.63 1.12 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.428 176.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 -79.97 127.15 31.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.979 0.419 . . . . 0.0 110.634 -177.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -151.36 143.85 24.23 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 173.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -79.35 141.28 37.07 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.528 -177.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.6 tt -71.48 118.91 70.48 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.401 0.62 . . . . 0.0 112.286 -172.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -89.03 142.05 4.46 Favored 'Trans proline' 0 N--CA 1.454 -0.844 0 C-N-CA 122.939 2.426 . . . . 0.0 111.755 174.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -165.61 -46.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.357 0.599 . . . . 0.0 109.652 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.579 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 73.4 m-85 -117.83 169.33 7.77 Favored Pre-proline 0 C--N 1.321 -0.658 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 173.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.579 ' HD2' ' HB3' ' A' ' 10' ' ' PHE . 2.0 Cg_endo -46.14 -40.47 21.29 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 123.024 2.483 . . . . 0.0 111.92 176.493 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 31.6 ttt180 61.16 86.13 0.11 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.377 172.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.9 t -144.49 147.02 32.75 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.578 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.508 ' HB1' ' HA ' ' A' ' 110' ' ' ASN . . . -100.41 10.08 41.71 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.877 177.503 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.84 102.57 10.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.954 -178.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.455 HD12 HG12 ' A' ' 106' ' ' ILE . 58.3 mt -94.03 100.12 10.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 174.685 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -79.55 -34.06 41.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.899 -171.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.3 89.43 3.13 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.093 0.473 . . . . 0.0 111.515 -176.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.471 ' OH ' HG23 ' A' ' 126' ' ' VAL . 31.7 t80 -127.9 103.0 7.02 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.24 0.543 . . . . 0.0 109.897 173.492 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -173.11 38.55 0.14 Allowed Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 110.301 -1.12 . . . . 0.0 110.301 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.564 ' HG2' ' H ' ' A' ' 22' ' ' GLY . 54.3 tttm -154.05 177.53 10.96 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -174.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.564 ' H ' ' HG2' ' A' ' 21' ' ' LYS . . . -74.31 66.52 1.91 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.667 -0.777 . . . . 0.0 111.864 176.209 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 148.11 166.45 12.75 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 121.25 -0.5 . . . . 0.0 111.916 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.403 ' O ' ' HA ' ' A' ' 30' ' ' SER . 81.3 m-85 -95.92 117.65 31.03 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 179.208 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -98.83 110.65 23.22 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.336 0.589 . . . . 0.0 110.203 177.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -133.66 177.42 7.72 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.214 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.55 99.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.023 0.44 . . . . 0.0 111.03 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 141.27 -78.1 0.29 Allowed Glycine 0 N--CA 1.444 -0.787 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.517 -178.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 22.5 ptp -147.93 167.85 23.78 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.767 0.318 . . . . 0.0 110.641 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 24' ' ' PHE . 5.2 p -96.03 103.52 15.41 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 171.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -84.11 110.31 18.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.491 -174.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -79.53 112.36 16.71 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 173.025 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 132.17 -153.66 20.66 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.144 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.531 ' HB3' ' HE3' ' A' ' 45' ' ' TRP . 15.3 m -101.27 154.29 18.9 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.886 0.374 . . . . 0.0 111.382 -177.283 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.419 HD23 ' HA2' ' A' ' 44' ' ' GLY . 50.5 mt -135.09 147.56 49.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.016 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.864 ' HG ' ' HB2' ' A' ' 45' ' ' TRP . 63.1 mt -110.66 99.03 8.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.094 176.147 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.535 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 86.8 m-85 -81.19 90.43 6.07 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 177.003 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.482 HD22 HD11 ' A' ' 68' ' ' ILE . 66.5 mt -98.7 157.1 34.82 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.162 -176.226 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -52.83 -29.58 43.61 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.573 2.182 . . . . 0.0 112.038 173.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -63.47 -66.03 0.6 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.181 173.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -169.37 -175.09 2.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.021 -178.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.1 t -89.93 100.73 11.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -100.03 161.81 13.37 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.642 -177.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.419 ' HA2' HD23 ' A' ' 35' ' ' LEU . . . -82.56 154.81 33.14 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.789 178.226 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.864 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 15.0 t90 -141.45 150.15 41.92 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -89.36 -152.93 0.25 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 53.5 t 66.68 88.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.172 0.51 . . . . 0.0 111.132 177.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 p -86.25 -27.53 24.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.966 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -105.64 122.21 43.41 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 173.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.462 ' HG2' ' OE2' ' A' ' 51' ' ' GLU . 6.9 Cg_endo -51.01 -32.9 40.41 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 123.381 2.72 . . . . 0.0 113.243 -177.652 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.462 ' OE2' ' HG2' ' A' ' 50' ' ' PRO . 1.9 mp0 -71.21 84.65 0.75 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.895 0.378 . . . . 0.0 110.353 176.6 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 178.22 -32.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.026 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 70.6 mt -44.48 107.99 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 O-C-N 124.077 0.86 . . . . 0.0 111.867 -176.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.429 ' H ' ' HB2' ' A' ' 57' ' ' SER . 2.5 p-10 -141.34 -170.97 3.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.66 -177.704 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -65.5 -34.23 77.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.287 -177.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.631 ' HA ' ' HG2' ' A' ' 59' ' ' GLN . 56.9 m-85 -74.19 -42.47 59.8 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.858 0.361 . . . . 0.0 110.686 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.429 ' HB2' ' H ' ' A' ' 54' ' ' ASP . 42.5 m -65.73 -21.28 66.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.923 0.392 . . . . 0.0 110.879 178.455 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 99.3 mt -105.22 15.86 26.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.365 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.631 ' HG2' ' HA ' ' A' ' 56' ' ' TYR . 66.0 mm-40 -65.15 -28.5 69.46 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 122.302 -0.249 . . . . 0.0 111.661 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -69.92 -25.8 63.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.175 0.512 . . . . 0.0 109.997 173.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 61.2 t -78.03 -43.54 28.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.713 175.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.457 ' HA ' ' HB2' ' A' ' 65' ' ' ALA . 40.7 m-85 -59.49 -29.65 67.98 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.231 176.37 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -55.38 -55.49 30.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.57 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -110.22 32.18 5.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.682 -178.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.457 ' HB2' ' HA ' ' A' ' 62' ' ' PHE . . . -69.97 -9.57 55.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.613 -177.14 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -71.61 -22.56 61.69 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.429 ' O ' ' HA ' ' A' ' 118' ' ' ARG . . . -103.41 3.48 35.12 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.07 0.462 . . . . 0.0 110.569 177.527 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.482 HD11 HD22 ' A' ' 38' ' ' LEU . 64.0 mt -114.1 105.09 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.767 -176.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -95.88 -33.54 12.17 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.358 0.599 . . . . 0.0 109.908 176.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.1 m -123.88 129.99 51.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.577 177.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.511 HD23 HD12 ' A' ' 97' ' ' LEU . 61.1 tp -118.66 105.71 11.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.037 178.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 51.2 mt -91.69 117.96 36.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.655 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.8 t -105.18 116.06 48.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 120.963 0.411 . . . . 0.0 110.647 -178.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -97.04 101.23 2.57 Favored Glycine 0 N--CA 1.442 -0.903 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 176.601 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.583 HG21 ' HB3' ' A' ' 80' ' ' TRP . 17.0 p -82.27 10.53 6.76 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.119 0.485 . . . . 0.0 111.984 -173.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.492 ' HA2' HG22 ' A' ' 126' ' ' VAL . . . 117.99 -137.89 13.48 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.99 178.529 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -88.37 -21.12 24.5 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.268 0.556 . . . . 0.0 109.905 177.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -113.15 151.38 30.96 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.419 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 91.3 t -95.07 110.35 23.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.857 0.36 . . . . 0.0 110.915 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.583 ' HB3' HG21 ' A' ' 75' ' ' THR . 54.2 t90 -75.49 137.79 41.15 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 171.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 61.8 mt -87.17 106.86 16.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.988 0.423 . . . . 0.0 110.395 -174.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.403 ' HA ' ' HD2' ' A' ' 83' ' ' PRO . . . -74.32 127.65 87.35 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.356 177.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 82' ' ' ALA . 15.0 Cg_endo -57.81 139.96 92.07 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.797 2.331 . . . . 0.0 111.837 178.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.7 mtp-105 -68.62 -13.85 62.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.852 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -62.94 -52.17 64.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.296 177.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.9 tp -70.26 -38.43 75.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.772 178.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -62.78 -43.33 99.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.631 -178.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.474 ' HA ' ' OE1' ' A' ' 88' ' ' GLU . 1.7 tp10 -70.87 -30.93 67.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.009 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.06 -43.19 93.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.362 176.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 42.9 mt -67.52 -36.31 80.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.353 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 91' ' ' ARG . 0.9 OUTLIER -68.94 -28.04 66.29 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 177.415 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -61.87 -34.71 89.72 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.489 174.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.525 ' O ' ' HB2' ' A' ' 94' ' ' ASN . 39.0 t -72.45 -80.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 172.204 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.525 ' HB2' ' O ' ' A' ' 93' ' ' VAL . 9.4 t30 171.02 30.02 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 114.981 -1.009 . . . . 0.0 108.947 174.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 42.2 t -118.7 108.69 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.515 -174.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.2 t -85.28 100.71 8.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.318 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.511 HD12 HD23 ' A' ' 71' ' ' LEU . 9.6 tt -88.13 125.79 34.78 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.846 178.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -134.5 134.47 41.51 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 177.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.1 p -97.54 126.77 43.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.827 -174.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.423 ' O ' ' HA2' ' A' ' 74' ' ' GLY . 88.6 mtp -142.55 -175.59 4.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.792 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.484 ' HB2' ' HD2' ' A' ' 104' ' ' PRO . 21.2 mp0 -78.95 157.99 28.08 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 174.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.565 ' O ' HG13 ' A' ' 106' ' ' ILE . 6.5 p -61.64 -45.63 93.25 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -178.222 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -54.11 -63.97 4.69 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 121.526 -0.369 . . . . 0.0 113.321 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.484 ' HD2' ' HB2' ' A' ' 101' ' ' GLN . 52.1 Cg_exo -55.0 -35.1 89.23 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.781 2.321 . . . . 0.0 112.7 177.313 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.62 -41.36 98.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.786 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.565 HG13 ' O ' ' A' ' 102' ' ' THR . 82.7 mt -59.81 -44.87 95.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.184 176.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 54.4 ttp85 -59.87 -55.6 32.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.093 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.467 ' O ' ' HG3' ' A' ' 112' ' ' MET . 62.7 m -60.78 -44.75 96.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.287 -177.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -61.44 -42.88 99.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.791 0.329 . . . . 0.0 110.56 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.508 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 27.0 t-20 -55.09 -50.66 68.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.756 178.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.34 -43.34 87.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.277 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.467 ' HG3' ' O ' ' A' ' 108' ' ' THR . 83.9 mtp -64.64 -36.34 83.94 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -175.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.404 HD13 ' HA ' ' A' ' 113' ' ' ILE . 26.5 mm -64.31 -46.36 93.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.787 0.327 . . . . 0.0 110.376 176.312 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -68.71 -19.39 73.12 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.961 -0.637 . . . . 0.0 111.974 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -74.49 -72.03 0.31 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 116' ' ' ARG . 35.0 ttp180 -161.75 18.71 0.11 Allowed 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 120.782 0.325 . . . . 0.0 111.359 -178.509 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 42.6 mtt85 61.1 -142.11 0.5 Allowed 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.802 177.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.429 ' HA ' ' O ' ' A' ' 67' ' ' ALA . 48.0 mtp180 66.36 23.5 10.66 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.594 0.712 . . . . 0.0 110.799 -179.323 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.439 HG11 ' HB2' ' A' ' 112' ' ' MET . 7.2 p -134.65 143.05 38.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.003 -178.605 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.455 ' HB1' HD23 ' A' ' 38' ' ' LEU . . . -128.51 147.01 50.66 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.986 177.347 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.535 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -120.66 118.42 30.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.895 0.378 . . . . 0.0 111.306 -178.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -99.28 98.94 9.85 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 175.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 88.3 mt -111.24 126.64 55.09 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.451 -172.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 56.3 mt -101.35 138.46 25.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.747 177.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.78 123.79 20.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 111.073 178.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.492 HG22 ' HA2' ' A' ' 76' ' ' GLY . 44.5 t -66.88 124.62 89.13 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.6 179.028 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -73.88 94.19 0.87 Allowed 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.991 1.794 . . . . 0.0 111.036 173.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 11.0 mp -59.57 108.68 0.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.796 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -77.34 105.34 8.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.852 -178.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -126.43 83.3 2.15 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 171.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -123.11 112.43 17.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.938 0.399 . . . . 0.0 110.909 -173.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 65.5 m170 -93.27 -174.37 3.51 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.7 175.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 49.1 m80 -106.09 17.64 23.25 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.303 0.573 . . . . 0.0 110.266 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -148.83 140.16 23.27 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.675 177.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.471 177.93 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.32 101.66 4.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.475 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -134.0 52.41 2.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.733 -178.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 4' ' ' ARG . 22.7 ttt180 -150.75 99.43 2.73 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.056 179.306 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.6 m 69.51 -64.13 0.35 Allowed 'General case' 0 N--CA 1.466 0.352 0 O-C-N 124.028 0.83 . . . . 0.0 111.78 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -78.1 92.51 4.4 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.04 0.447 . . . . 0.0 110.371 177.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.5 pt -67.04 157.39 84.96 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.103 177.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.2 109.65 0.31 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.019 2.48 . . . . 0.0 112.837 -178.13 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 57.0 p-80 -139.36 174.1 10.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.66 178.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.466 ' CD1' ' HB1' ' A' ' 41' ' ' ALA . 2.3 p90 -69.59 110.74 6.97 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-O 121.07 0.462 . . . . 0.0 111.624 -179.636 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 10' ' ' PHE . 94.8 Cg_endo -102.25 40.67 0.05 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 124.062 3.175 . . . . 0.0 111.498 178.133 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.0 ttp180 70.71 104.26 0.06 Allowed 'General case' 0 N--CA 1.463 0.195 0 O-C-N 124.005 0.816 . . . . 0.0 109.434 -170.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.8 m -90.03 103.29 15.97 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.165 0.507 . . . . 0.0 110.381 -176.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.6 9.34 43.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.688 -177.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.449 ' HA ' ' OD1' ' A' ' 110' ' ' ASN . . . -151.37 112.91 4.4 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.697 177.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.486 HD13 HD21 ' A' ' 110' ' ' ASN . 2.2 mp -78.03 131.4 34.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 175.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -70.91 -64.47 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.867 -172.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.516 ' HB3' ' HB3' ' A' ' 25' ' ' TYR . . . -133.81 146.58 50.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.145 0.498 . . . . 0.0 111.798 -175.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -142.83 149.64 38.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.617 177.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 154.63 -160.45 29.61 Favored Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 178.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 ptmm? -67.55 155.93 37.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.895 0.378 . . . . 0.0 110.628 177.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.41 -37.89 3.28 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.057 -175.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.39 157.94 7.47 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.412 ' HE1' HD12 ' A' ' 35' ' ' LEU . 7.1 p90 -77.14 153.64 34.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.945 0.402 . . . . 0.0 110.629 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.516 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 81.3 t80 -139.22 141.61 37.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.793 -172.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -126.96 177.19 6.78 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 175.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.64 97.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.037 0.446 . . . . 0.0 110.99 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.41 -79.31 0.25 Allowed Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.991 -179.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -147.86 164.1 34.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.633 0.254 . . . . 0.0 110.618 -177.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.4 p -102.77 151.05 22.85 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 174.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -138.39 112.55 8.6 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.926 0.393 . . . . 0.0 110.953 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -74.24 153.01 39.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.619 174.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 111.51 -107.44 2.15 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -175.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.606 ' HB3' ' O ' ' A' ' 45' ' ' TRP . 15.8 t -159.2 157.64 31.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.094 0.473 . . . . 0.0 110.542 177.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.466 HD23 ' HA2' ' A' ' 44' ' ' GLY . 73.6 mt -139.5 150.0 44.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.036 178.254 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.717 ' HG ' ' HB2' ' A' ' 45' ' ' TRP . 83.4 mt -100.22 99.18 9.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.47 179.309 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.543 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 66.4 m-85 -89.53 88.9 7.61 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 175.132 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.421 ' C ' ' H ' ' A' ' 40' ' ' ASP . 75.4 mt -87.22 160.31 48.98 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.831 -178.552 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 38' ' ' LEU . 67.2 Cg_endo -74.63 32.73 0.36 Allowed 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.722 2.281 . . . . 0.0 112.044 176.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.421 ' H ' ' C ' ' A' ' 38' ' ' LEU . 29.7 t70 -150.92 -58.88 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.076 -175.567 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.466 ' HB1' ' CD1' ' A' ' 10' ' ' PHE . . . -146.3 167.21 24.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.437 179.604 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.1 t -110.92 128.62 67.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -127.0 163.28 24.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.727 0.299 . . . . 0.0 111.044 -177.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.466 ' HA2' HD23 ' A' ' 35' ' ' LEU . . . -88.88 135.46 13.03 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.095 -0.574 . . . . 0.0 111.898 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.717 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 5.7 t90 -137.74 92.77 2.71 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -175.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -79.16 84.06 5.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.379 0.609 . . . . 0.0 111.637 -174.085 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.7 t -124.06 99.12 6.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.259 172.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.1 m -78.46 -31.5 47.95 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.534 -175.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.666 ' HB2' ' HG3' ' A' ' 52' ' ' GLN . 89.1 mttt -113.06 127.67 26.55 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -61.64 -21.11 71.28 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.578 2.185 . . . . 0.0 112.15 178.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -71.91 -7.48 48.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.43 178.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.666 ' HG3' ' HB2' ' A' ' 49' ' ' LYS . 92.6 mt-30 -95.97 12.24 31.12 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.381 -177.239 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.425 HG22 HD21 ' A' ' 86' ' ' LEU . 69.3 mt -81.23 116.9 26.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.325 0.583 . . . . 0.0 110.828 -179.035 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.3 p30 -153.39 -167.08 2.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.863 -176.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.0 mtp-105 -77.88 -11.77 59.92 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.658 0.266 . . . . 0.0 111.303 -179.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -80.77 -44.25 18.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.225 0.536 . . . . 0.0 109.763 177.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.6 p -74.91 -43.78 52.39 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.68 177.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.6 mt -86.34 15.59 5.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.243 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.8 tm0? -52.95 -47.89 67.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.002 0.43 . . . . 0.0 110.748 -177.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.4 ttt-85 -69.82 -30.98 68.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.125 -178.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.9 t -68.85 -40.61 81.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.552 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -65.31 -29.3 70.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.707 176.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -80.4 -40.08 27.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.938 0.399 . . . . 0.0 110.488 179.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -86.34 17.89 3.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.18 -25.69 67.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.735 -177.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -69.96 -8.47 49.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.87 0.367 . . . . 0.0 111.239 178.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.414 ' O ' ' HB3' ' A' ' 118' ' ' ARG . . . -121.64 11.88 10.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.859 179.273 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 79.4 mt -136.7 119.59 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.88 -177.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -112.46 -25.06 9.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.818 0.342 . . . . 0.0 110.385 175.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.2 m -125.14 126.24 44.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.422 178.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.5 tp -116.79 104.93 11.83 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 178.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 59.8 mt -99.96 116.31 42.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.2 t -107.9 113.35 43.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.089 -175.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.443 ' HA3' ' HA ' ' A' ' 102' ' ' THR . . . -85.06 94.64 1.91 Allowed Glycine 0 N--CA 1.444 -0.786 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 170.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.552 HG21 ' HB3' ' A' ' 80' ' ' TRP . 16.5 p -67.45 -13.33 61.93 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -167.652 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.99 121.19 1.39 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.512 -0.851 . . . . 0.0 113.494 173.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.605 ' H ' HG12 ' A' ' 126' ' ' VAL . . . 76.47 -43.78 0.47 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.257 1.023 . . . . 0.0 111.76 173.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -152.29 177.32 10.69 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.2 t -92.53 106.81 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.096 0.474 . . . . 0.0 110.871 -176.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.552 ' HB3' HG21 ' A' ' 75' ' ' THR . 83.7 t90 -92.78 117.9 30.51 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.787 178.03 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 64.3 mt -87.41 116.49 29.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.345 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.61 140.8 97.62 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.296 -178.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -53.59 147.11 40.41 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 123.05 2.5 . . . . 0.0 112.377 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -55.22 -41.58 72.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.133 -175.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 50.0 tp60 -70.54 -37.04 74.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.742 0.306 . . . . 0.0 110.819 -176.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.425 HD21 HG22 ' A' ' 53' ' ' ILE . 58.3 tp -65.58 -42.9 91.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.27 0.557 . . . . 0.0 109.703 177.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 66.2 ttt180 -62.05 -43.38 98.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.226 177.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -66.43 -33.01 74.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.195 -179.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.05 96.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.024 0.44 . . . . 0.0 110.691 177.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.561 HD12 HD22 ' A' ' 97' ' ' LEU . 95.8 mt -70.01 -42.85 72.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.801 178.609 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 91' ' ' ARG . 1.3 mmp_? -70.7 -21.17 62.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.456 -179.212 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -66.34 -38.74 93.9 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 121.173 -0.537 . . . . 0.0 112.573 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.55 ' O ' ' HB2' ' A' ' 94' ' ' ASN . 19.5 m -81.79 -45.82 20.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.316 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.55 ' HB2' ' O ' ' A' ' 93' ' ' VAL . 66.6 t30 165.74 -21.95 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.794 0 O-C-N 123.487 0.492 . . . . 0.0 111.283 -178.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 48.4 t -69.87 125.64 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.198 0.523 . . . . 0.0 111.932 -169.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.2 t -87.66 108.34 18.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.454 173.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.561 HD22 HD12 ' A' ' 90' ' ' LEU . 69.9 tp -86.36 124.41 32.68 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.546 -179.311 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -130.67 114.58 15.58 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.991 0.424 . . . . 0.0 110.024 178.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.7 p -98.29 133.65 42.4 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.426 -176.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 22.9 ptp -161.27 -172.92 3.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.215 179.144 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -75.65 157.38 33.77 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 177.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.506 ' O ' HG13 ' A' ' 106' ' ' ILE . 4.3 m -58.55 -41.94 86.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.795 -176.094 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.25 -64.86 4.01 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 121.447 -0.406 . . . . 0.0 113.399 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.27 -34.08 78.24 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.788 2.325 . . . . 0.0 112.745 177.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.26 -46.12 91.69 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.9 0.381 . . . . 0.0 110.525 178.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 102' ' ' THR . 72.8 mt -58.97 -49.22 83.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.425 176.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -54.95 -52.26 63.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.248 -179.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.3 m -61.76 -36.6 81.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.415 -176.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -63.05 -46.7 86.27 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.644 177.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.486 HD21 HD13 ' A' ' 16' ' ' ILE . 29.6 m-80 -58.35 -31.84 67.97 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.162 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 49.3 mm -77.08 -54.1 13.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.032 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.518 ' HB2' HG11 ' A' ' 119' ' ' VAL . 25.4 mmt -67.87 -29.25 68.32 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -172.413 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 10.9 tp -63.49 -27.39 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.959 0.409 . . . . 0.0 110.946 -177.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -71.42 -29.27 68.36 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.036 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -91.78 13.65 17.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.67 0.271 . . . . 0.0 111.215 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 60.54 24.24 13.92 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.543 178.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -71.91 138.47 48.16 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.414 ' HB3' ' O ' ' A' ' 67' ' ' ALA . 60.6 mtt180 -78.15 67.3 3.95 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.301 0.572 . . . . 0.0 110.202 -178.396 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.518 HG11 ' HB2' ' A' ' 112' ' ' MET . 3.5 p -102.54 121.91 54.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.868 -177.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -103.11 121.41 42.57 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.723 176.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.543 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -98.51 104.47 16.51 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.079 0.466 . . . . 0.0 110.908 -179.186 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -89.07 98.41 11.75 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 175.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 86.4 mt -101.69 110.63 22.65 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.185 -172.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 64.1 mt -93.34 134.71 30.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 174.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -75.75 146.72 39.83 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.775 -177.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.605 HG12 ' H ' ' A' ' 77' ' ' ALA . 23.2 m -74.05 118.85 72.83 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.775 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.524 ' HD2' ' HB2' ' A' ' 77' ' ' ALA . 7.8 Cg_exo -74.28 0.66 8.24 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.824 2.349 . . . . 0.0 111.989 178.659 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 28.0 tp 65.42 -80.79 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.16 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -122.49 24.1 9.39 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.658 0.742 . . . . 0.0 109.228 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.449 ' HA ' ' HB2' ' A' ' 127' ' ' PRO . 84.8 m-70 75.0 -44.0 0.53 Allowed 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.649 178.358 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 43.0 m80 -130.12 154.35 47.58 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 175.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -71.4 92.47 1.08 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.04 0.448 . . . . 0.0 111.455 -177.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 49.0 m170 59.48 -96.63 0.07 Allowed 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.095 178.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.432 ' O ' ' HB3' ' A' ' 135' ' ' HIS . 20.4 p-80 -171.07 138.26 1.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 175.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.432 ' HB3' ' O ' ' A' ' 134' ' ' HIS . 56.0 t60 . . . . . 0 C--O 1.244 0.815 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.105 -174.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.2 ttp . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 110.55 -0.167 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.13 -175.22 0.15 Allowed 'General case' 0 C--O 1.236 0.371 0 O-C-N 123.579 0.549 . . . . 0.0 111.536 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -91.37 118.74 30.78 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 4' ' ' ARG . 31.5 mtm180 -89.66 -70.7 0.65 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.956 -175.065 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 p -95.99 102.75 14.58 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.299 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -89.8 150.59 22.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.663 -177.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.3 pt -99.42 98.1 6.39 Favored Pre-proline 0 C--N 1.32 -0.716 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 168.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -68.07 -11.36 31.8 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.793 2.329 . . . . 0.0 113.465 -169.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.453 ' C ' ' HD3' ' A' ' 11' ' ' PRO . 64.5 t60 66.39 171.34 0.24 Allowed 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 -178.425 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.444 ' CD2' ' HB ' ' A' ' 42' ' ' VAL . 0.8 OUTLIER -119.18 78.39 17.92 Favored Pre-proline 0 C--N 1.322 -0.619 0 O-C-N 121.464 -0.773 . . . . 0.0 110.226 177.465 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.453 ' HD3' ' C ' ' A' ' 9' ' ' HIS . 83.4 Cg_endo -104.04 161.3 0.22 Allowed 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 123.753 2.969 . . . . 0.0 113.469 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.6 mmm-85 56.38 32.31 20.32 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.659 169.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.544 ' HB ' HG21 ' A' ' 42' ' ' VAL . 8.6 m -90.1 106.23 18.34 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.879 0.371 . . . . 0.0 110.533 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.468 ' HB2' HG21 ' A' ' 113' ' ' ILE . . . -129.03 6.48 5.43 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.349 179.052 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.38 102.22 14.9 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.468 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.474 HD12 HG23 ' A' ' 106' ' ' ILE . 67.5 mt -103.03 121.39 54.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 175.394 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -80.69 -59.81 2.54 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.174 -171.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.537 ' HB3' ' HB3' ' A' ' 25' ' ' TYR . . . -126.97 153.52 45.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.015 0.436 . . . . 0.0 110.71 -178.027 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -132.5 114.06 13.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.421 -178.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 141.06 -77.4 0.3 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.357 178.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -74.65 139.81 43.82 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.928 0.394 . . . . 0.0 110.394 -179.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.35 18.83 58.97 Favored Glycine 0 CA--C 1.52 0.359 0 CA-C-N 115.489 -0.778 . . . . 0.0 112.716 -176.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.436 ' HA3' ' HA ' ' A' ' 32' ' ' GLN . . . 75.08 -104.69 1.77 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.948 -178.262 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -107.4 108.3 19.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.0 0.429 . . . . 0.0 110.205 176.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.537 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 85.3 t80 -103.43 120.84 41.6 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.242 178.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -135.99 177.2 8.02 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 176.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.83 96.79 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.964 0.412 . . . . 0.0 110.512 178.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 146.45 -60.9 0.47 Allowed Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.627 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 22.3 ptp -147.88 161.63 40.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.993 0.425 . . . . 0.0 111.869 -175.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.0 m -101.46 96.87 7.43 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 168.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -105.51 105.47 15.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.138 0.494 . . . . 0.0 111.569 -171.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.436 ' HA ' ' HA3' ' A' ' 23' ' ' GLY . 5.4 pm0 -84.59 159.0 20.73 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 172.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.19 -111.97 3.34 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.474 -0.87 . . . . 0.0 111.526 -178.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.505 ' OG ' ' HB3' ' A' ' 45' ' ' TRP . 20.7 p -151.74 156.17 39.75 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.19 0.519 . . . . 0.0 111.34 178.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 90.3 mt -128.85 135.9 49.73 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.963 177.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.0 tt -108.71 105.54 15.18 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.542 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 97.6 m-85 -94.65 131.53 40.33 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.777 -178.287 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.2 mt -117.85 161.08 36.01 Favored Pre-proline 0 C--N 1.318 -0.765 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 175.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -47.69 -30.47 12.7 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.168 2.578 . . . . 0.0 114.027 -176.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -137.26 19.69 2.96 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -178.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -153.15 153.54 32.98 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.791 -176.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.544 HG21 ' HB ' ' A' ' 13' ' ' THR . 59.6 t -129.34 121.58 53.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 174.161 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -119.97 143.67 47.9 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.938 0.399 . . . . 0.0 110.995 -177.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.57 118.21 5.17 Favored Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 173.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.505 ' HB3' ' OG ' ' A' ' 34' ' ' SER . 2.1 t90 -87.16 141.11 28.89 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -176.4 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -91.7 10.61 27.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.836 0.827 . . . . 0.0 111.127 -172.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 91.9 t -91.73 117.0 34.11 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.895 -175.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.0 m -108.25 -3.5 18.39 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.462 0.648 . . . . 0.0 110.172 -179.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.618 ' HB2' ' HB2' ' A' ' 52' ' ' GLN . 50.3 mttp -128.03 124.43 23.13 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.046 -178.456 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.28 -39.46 86.67 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.565 2.177 . . . . 0.0 112.724 178.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -84.2 9.57 12.5 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 121.363 0.601 . . . . 0.0 110.796 -178.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.618 ' HB2' ' HB2' ' A' ' 49' ' ' LYS . 53.9 tt0 -91.03 -9.28 46.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.333 0.587 . . . . 0.0 110.417 179.135 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.43 HD12 ' CZ3' ' A' ' 80' ' ' TRP . 66.1 mt -67.72 105.64 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.359 0.599 . . . . 0.0 110.891 -179.103 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.825 ' H ' ' HB3' ' A' ' 57' ' ' SER . 2.8 p-10 -130.38 -168.81 2.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.007 -178.548 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.78 -43.4 90.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.122 -178.582 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -80.51 -31.05 37.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.454 -176.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.825 ' HB3' ' H ' ' A' ' 54' ' ' ASP . 38.3 t -61.03 -36.8 80.52 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.254 0.549 . . . . 0.0 110.187 175.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.54 HD12 HD11 ' A' ' 86' ' ' LEU . 92.8 mt -93.53 24.83 3.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.995 179.654 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -52.04 -44.3 64.15 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.046 0.45 . . . . 0.0 110.744 178.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -73.12 -21.33 60.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.906 -177.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.513 HG21 HD22 ' A' ' 58' ' ' LEU . 87.0 t -80.8 -47.1 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.272 179.319 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -66.37 -33.94 76.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.846 0.355 . . . . 0.0 110.284 176.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -57.04 -54.91 41.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.27 178.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -107.7 30.19 6.53 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.27 -175.015 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.04 -30.59 68.14 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.617 -178.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -62.69 -23.44 67.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.486 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -98.41 -0.17 44.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.025 0.44 . . . . 0.0 111.05 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 67.4 mt -108.84 136.49 44.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.979 -176.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.41 ' HB3' ' HB2' ' A' ' 118' ' ' ARG . 4.9 t70 -116.78 -61.64 1.69 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 172.293 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.0 m -104.97 126.78 52.4 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.355 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.6 tp -112.34 107.19 15.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.008 0.433 . . . . 0.0 110.188 178.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 61.3 mt -94.2 113.25 28.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.917 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 80.9 t -107.75 116.54 51.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.85 0.357 . . . . 0.0 110.858 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -95.09 109.7 3.89 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 175.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.468 ' CG2' ' HB3' ' A' ' 80' ' ' TRP . 72.2 p -88.75 13.13 13.11 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -172.005 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.41 -139.3 14.46 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.524 178.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.33 -47.64 33.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.908 0.385 . . . . 0.0 111.153 -176.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -97.45 156.27 16.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.008 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.4 t -87.56 111.05 21.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -176.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.468 ' HB3' ' CG2' ' A' ' 75' ' ' THR . 58.7 t90 -88.8 123.23 33.0 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 174.414 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 11.0 tt -93.27 116.04 33.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.302 0.572 . . . . 0.0 110.148 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.69 133.67 89.15 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.757 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -51.16 136.52 45.84 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.702 2.268 . . . . 0.0 111.2 177.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.434 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 71.8 ttt180 -59.12 -35.85 74.18 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 121.217 -0.193 . . . . 0.0 111.268 -174.222 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -61.05 -39.37 89.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.961 0.41 . . . . 0.0 110.552 177.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.54 HD11 HD12 ' A' ' 58' ' ' LEU . 55.8 tp -72.26 -42.25 65.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.157 177.401 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -57.33 -51.1 70.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.711 178.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 84' ' ' ARG . 10.9 mm-40 -66.66 -30.29 70.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.203 -177.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.88 -46.68 80.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.872 0.368 . . . . 0.0 110.575 176.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.799 HD12 HD22 ' A' ' 97' ' ' LEU . 91.0 mt -70.51 -41.86 72.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.718 178.616 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 56.9 ttp85 -63.34 -28.01 69.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.682 -178.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -74.99 -30.71 58.82 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.454 178.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.49 HG23 HG23 ' A' ' 95' ' ' VAL . 30.1 m -96.08 29.64 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 O-C-N 122.71 -0.288 . . . . 0.0 111.287 -178.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.2 t30 77.51 0.67 2.93 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.976 171.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.49 HG23 HG23 ' A' ' 93' ' ' VAL . 65.2 t -87.38 107.45 17.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 O-C-N 122.011 -0.431 . . . . 0.0 110.873 -177.471 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.2 t -76.67 93.96 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.155 0.502 . . . . 0.0 109.867 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.799 HD22 HD12 ' A' ' 90' ' ' LEU . 54.3 tp -83.07 120.31 25.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.236 -177.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -129.83 125.18 35.08 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.5 p -103.87 126.04 50.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.522 -176.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 24.5 ptp -147.99 175.94 10.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.467 -177.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -72.53 159.91 33.16 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 176.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.482 ' O ' HG13 ' A' ' 106' ' ' ILE . 0.1 OUTLIER -63.14 -31.53 72.7 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -178.419 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.55 -67.06 2.41 Favored Glycine 0 CA--C 1.522 0.489 0 C-N-CA 121.117 -0.564 . . . . 0.0 112.414 178.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -57.96 -29.16 85.67 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.663 2.242 . . . . 0.0 112.485 176.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.05 -48.37 78.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.065 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' ' 102' ' ' THR . 78.8 mt -60.38 -42.53 91.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-O 120.82 0.343 . . . . 0.0 110.254 178.292 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -57.06 -56.02 27.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.724 177.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.5 m -64.55 -41.63 96.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.453 -175.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -61.07 -47.86 84.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.806 -0.179 . . . . 0.0 111.291 -178.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -60.33 -37.34 80.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.011 0.434 . . . . 0.0 110.59 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 76.7 mt -74.18 -43.53 50.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 178.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 17.8 mmt -61.5 -43.32 99.07 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -177.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.468 HG21 ' HB2' ' A' ' 14' ' ' ALA . 10.8 tp -68.89 -26.04 31.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.941 0.4 . . . . 0.0 110.421 -179.188 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -85.49 -21.67 53.36 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.161 178.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.416 ' OE2' ' HD2' ' A' ' 117' ' ' ARG . 30.1 tt0 -85.26 -4.47 59.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.14 0.495 . . . . 0.0 110.054 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 63.39 66.51 0.7 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.703 176.255 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.416 ' HD2' ' OE2' ' A' ' 115' ' ' GLU . 35.8 mtp-105 -127.59 170.89 12.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.03 176.578 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.41 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 89.8 mtt180 -84.58 86.26 7.33 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 176.459 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 7.6 p -120.02 137.07 55.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 121.222 0.534 . . . . 0.0 111.433 -175.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -122.14 142.27 50.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.324 -0.853 . . . . 0.0 108.886 173.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.542 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -125.78 118.46 25.6 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.016 0.436 . . . . 0.0 111.517 -175.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -103.76 95.99 6.4 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 75.5 mt -103.65 116.57 32.59 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.199 -173.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 60.3 mt -101.84 128.04 54.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.492 176.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.84 163.08 28.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.71 -178.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.436 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . 19.0 m -65.04 129.38 94.47 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.52 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 126' ' ' VAL . 19.0 Cg_exo -66.23 96.19 0.33 Allowed 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.944 2.429 . . . . 0.0 112.311 -178.61 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 93.5 mt -79.89 166.31 21.79 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.294 178.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -65.96 -75.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.367 0.603 . . . . 0.0 110.491 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.3 p80 175.35 -170.15 0.05 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 -178.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -65.35 109.18 2.18 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 172.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -66.99 -25.95 66.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.646 -174.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 42.1 t-80 -78.4 83.82 4.6 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 174.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -167.77 102.16 0.48 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.427 -177.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 2.4 p80 . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.189 174.382 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.0 mmt . . . . . 0 N--CA 1.482 1.142 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -51.64 -65.65 0.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -171.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.483 ' O ' ' HB3' ' A' ' 4' ' ' ARG . 54.7 tt0 -90.44 59.56 4.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.291 -0.256 . . . . 0.0 111.399 -173.019 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.483 ' HB3' ' O ' ' A' ' 3' ' ' GLN . 12.3 ptm180 176.79 -26.72 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 173.18 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 p -152.11 70.31 0.92 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.23 0.538 . . . . 0.0 111.127 179.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -106.63 98.66 8.31 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.655 178.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.7 mt 60.44 81.9 0.23 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.746 -176.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -75.56 -21.15 15.12 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.762 2.308 . . . . 0.0 112.192 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 25.5 p80 -171.2 170.08 6.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.601 -177.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.482 ' HD1' ' HB1' ' A' ' 41' ' ' ALA . 68.0 m-85 -61.63 141.96 94.62 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 174.616 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 10' ' ' PHE . 16.6 Cg_exo -69.06 53.55 0.84 Allowed 'Trans proline' 0 N--CA 1.476 0.497 0 C-N-CA 123.597 2.865 . . . . 0.0 114.149 -172.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 50.3 ttp180 52.94 82.38 0.07 Allowed 'General case' 0 C--O 1.235 0.308 0 C-N-CA 123.295 0.638 . . . . 0.0 111.659 174.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.435 ' HB ' ' CG2' ' A' ' 42' ' ' VAL . 20.0 m -101.03 103.4 14.52 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.186 0.517 . . . . 0.0 110.615 179.524 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.514 ' HB1' HG21 ' A' ' 113' ' ' ILE . . . -119.68 -25.8 5.85 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.804 177.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.34 104.61 17.12 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.837 177.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.513 ' HB ' HG23 ' A' ' 106' ' ' ILE . 57.0 mt -75.79 126.01 36.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.278 -177.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.569 ' HB3' ' HA ' ' A' ' 26' ' ' PHE . 45.0 t0 -68.57 -74.23 0.13 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.751 -173.065 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -163.48 176.62 9.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.925 0.393 . . . . 0.0 111.511 -179.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -149.1 159.32 44.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.812 176.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -138.69 -159.42 8.05 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.867 -0.683 . . . . 0.0 111.68 179.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.635 ' HD3' ' H ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -84.42 -20.07 32.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.979 0.418 . . . . 0.0 110.322 179.619 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.603 ' O ' ' HA ' ' A' ' 31' ' ' HIS . . . -101.83 37.01 3.85 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.56 179.348 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.02 -167.1 20.44 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.11 -179.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -79.86 156.74 27.2 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.86 0.362 . . . . 0.0 110.647 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -137.1 96.08 3.22 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.569 ' HA ' ' HB3' ' A' ' 17' ' ' ASP . 17.2 p90 -132.99 120.77 21.83 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.583 -173.126 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 60.87 17.21 7.55 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.291 174.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 109.58 -13.57 32.75 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.232 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 86.8 mtp -87.64 126.91 35.23 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.8 t -133.51 173.34 11.59 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.028 -173.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.603 ' HA ' ' O ' ' A' ' 22' ' ' GLY . 18.8 m-70 65.21 25.46 12.32 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.882 177.274 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.523 ' HG2' HD21 ' A' ' 35' ' ' LEU . 56.4 tp60 -96.47 112.82 24.42 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 175.398 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.51 -40.18 39.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.932 -0.652 . . . . 0.0 113.397 -174.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.729 ' HB2' ' HB3' ' A' ' 45' ' ' TRP . 0.9 OUTLIER -136.38 140.62 43.36 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.97 0.385 . . . . 0.0 110.963 -176.426 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.523 HD21 ' HG2' ' A' ' 32' ' ' GLN . 50.8 mt -132.11 139.6 48.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.514 ' HG ' ' HB2' ' A' ' 45' ' ' TRP . 97.6 mt -106.31 98.14 7.85 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.984 177.206 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.423 ' CE1' HD12 ' A' ' 123' ' ' LEU . 69.5 m-85 -86.01 94.29 9.19 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.713 -179.45 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.4 mt -89.27 160.17 43.19 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 175.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -72.49 44.8 0.76 Allowed 'Trans proline' 0 CA--C 1.535 0.548 0 C-N-CA 122.942 2.428 . . . . 0.0 112.983 -177.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -173.87 -57.3 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.297 0.57 . . . . 0.0 109.979 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.482 ' HB1' ' HD1' ' A' ' 10' ' ' PHE . . . -130.69 152.34 50.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.914 -177.493 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.435 ' CG2' ' HB ' ' A' ' 13' ' ' THR . 59.3 t -110.1 122.68 65.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.045 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 88.2 m95 -112.91 171.54 7.47 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.688 -177.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.74 153.51 21.26 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.907 -0.664 . . . . 0.0 112.59 -178.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.729 ' HB3' ' HB2' ' A' ' 34' ' ' SER . 2.8 t90 -134.88 160.33 38.59 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.571 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -121.01 29.12 7.52 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.374 0.606 . . . . 0.0 111.722 -171.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.563 HG13 ' HB2' ' A' ' 52' ' ' GLN . 74.1 t -111.25 97.81 6.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 O-C-N 121.691 -0.63 . . . . 0.0 110.852 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.2 m -86.78 -33.06 20.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.282 0.563 . . . . 0.0 110.539 -179.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -106.85 126.37 30.4 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 175.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -60.19 -11.94 17.84 Favored 'Trans proline' 0 N--CA 1.474 0.356 0 C-N-CA 122.917 2.411 . . . . 0.0 112.951 -176.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -86.45 1.92 49.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.043 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.563 ' HB2' HG13 ' A' ' 47' ' ' VAL . 52.9 mt-30 -94.4 -8.45 38.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.883 178.025 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 65.2 mt -68.75 104.29 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.289 0.566 . . . . 0.0 111.955 -173.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -109.62 167.91 9.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.095 173.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -55.51 -39.77 70.92 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.857 0.36 . . . . 0.0 110.742 175.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -81.42 -12.07 59.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.662 -178.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.9 m -76.78 -25.91 53.88 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 170.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.0 mt -97.12 19.42 12.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.282 177.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -53.66 -44.72 69.87 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.259 0.552 . . . . 0.0 110.889 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -71.77 -19.88 61.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.337 -177.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.6 t -87.12 -49.01 15.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.045 -176.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -59.47 -30.24 68.38 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.877 0.37 . . . . 0.0 111.447 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -68.3 -40.8 81.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.117 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -96.17 13.91 25.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.462 0.649 . . . . 0.0 110.29 -175.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.71 -16.81 43.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.534 -175.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 35.9 p30 -67.82 -22.55 65.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.766 0.317 . . . . 0.0 111.248 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -103.99 4.17 34.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.968 0.413 . . . . 0.0 110.448 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 51.0 mt -107.17 89.61 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.86 -177.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.403 ' HB3' ' HB2' ' A' ' 118' ' ' ARG . 2.7 t70 -75.13 -47.85 26.6 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.377 -0.829 . . . . 0.0 108.991 172.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.47 ' HB ' HG23 ' A' ' 119' ' ' VAL . 25.0 m -117.95 128.5 54.86 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.078 176.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 51.6 tp -110.33 111.31 22.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.002 177.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 75.2 mt -97.34 122.44 48.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.583 -179.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.6 t -104.8 106.9 21.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 175.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -99.97 98.71 1.94 Allowed Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.904 -178.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.503 ' O ' ' HA ' ' A' ' 101' ' ' GLN . 16.6 p -99.45 121.91 41.8 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.072 0.463 . . . . 0.0 111.275 -177.235 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -87.97 42.35 3.1 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.625 -0.797 . . . . 0.0 111.902 177.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -149.85 79.48 1.37 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 120.78 0.324 . . . . 0.0 110.616 -176.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.2 t70 66.04 -157.88 0.26 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.973 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 38.7 t -96.48 96.94 5.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 176.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 72.4 t90 -90.87 111.77 23.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.037 0.446 . . . . 0.0 110.509 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 11.0 tt -92.09 131.93 37.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.838 175.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.16 132.98 87.85 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.682 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -57.6 145.56 88.65 Favored 'Trans proline' 0 C--O 1.236 0.382 0 C-N-CA 122.818 2.345 . . . . 0.0 111.286 177.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.438 ' HD3' ' N ' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -63.41 -28.53 70.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.123 -173.606 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.438 ' N ' ' HD3' ' A' ' 84' ' ' ARG . 57.7 tt0 -60.08 -43.85 95.19 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.888 0.375 . . . . 0.0 110.048 177.001 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.2 tp -76.95 -44.55 30.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.397 -178.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 61.0 ttp85 -57.65 -47.97 80.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.21 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -78.94 -21.74 46.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.485 -177.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.61 -43.09 77.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.96 0.409 . . . . 0.0 109.942 173.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.62 HD12 HD22 ' A' ' 97' ' ' LEU . 96.0 mt -67.1 -34.57 77.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.364 176.246 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -59.91 -34.13 72.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.245 176.09 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -63.44 -27.39 70.74 Favored Glycine 0 CA--C 1.518 0.227 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.217 177.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.436 ' O ' ' HB2' ' A' ' 94' ' ' ASN . 8.0 t -90.86 -2.48 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.158 0.504 . . . . 0.0 109.738 178.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 93' ' ' VAL . 4.1 m-20 73.62 23.26 2.44 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.262 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.7 t -91.2 124.96 43.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.404 179.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.2 t -78.64 109.77 13.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.36 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.62 HD22 HD12 ' A' ' 90' ' ' LEU . 63.5 tp -92.37 133.94 35.4 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.425 -177.146 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -142.65 129.84 20.92 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 175.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.5 t -123.01 138.78 54.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.017 0.436 . . . . 0.0 111.346 -176.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -160.79 -171.88 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.706 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.503 ' HA ' ' O ' ' A' ' 75' ' ' THR . 26.1 mp0 -80.23 159.83 25.79 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 179.227 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.479 ' O ' HG13 ' A' ' 106' ' ' ILE . 3.5 m -51.78 -47.88 64.01 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 123.552 0.533 . . . . 0.0 112.121 -176.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -54.39 -65.45 3.49 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 121.245 -0.502 . . . . 0.0 113.012 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.16 -34.42 78.57 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.713 2.275 . . . . 0.0 112.685 176.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.34 -44.71 94.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.151 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.513 HG23 ' HB ' ' A' ' 16' ' ' ILE . 77.7 mt -56.65 -49.4 78.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.106 0.479 . . . . 0.0 110.299 177.308 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 107' ' ' ARG . 43.4 ttp180 -61.41 -45.05 95.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.665 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 45.7 m -64.07 -45.38 89.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.269 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -65.31 -43.35 91.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.652 0.263 . . . . 0.0 110.771 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -59.49 -30.67 68.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.792 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 77.1 mt -82.06 -49.54 17.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.948 0.404 . . . . 0.0 110.829 175.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.462 ' HA ' ' HB3' ' A' ' 115' ' ' GLU . 47.9 mtt -64.59 -28.36 69.57 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -174.622 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.514 HG21 ' HB1' ' A' ' 14' ' ' ALA . 10.7 tp -62.82 -32.01 54.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.865 0.364 . . . . 0.0 110.505 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -89.87 -29.21 16.21 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.603 176.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.462 ' HB3' ' HA ' ' A' ' 112' ' ' MET . 31.2 tt0 -69.62 -62.37 1.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.886 0.374 . . . . 0.0 111.45 179.587 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.418 ' O ' ' HG3' ' A' ' 118' ' ' ARG . 60.3 mtt180 -100.72 -33.93 10.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.65 -172.743 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 46.7 tpt85 67.97 7.79 6.03 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.604 0.716 . . . . 0.0 110.434 -178.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' A' ' 116' ' ' ARG . 55.4 mtp180 -127.1 31.76 5.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.084 -177.16 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.47 HG23 ' HB ' ' A' ' 70' ' ' THR . 7.4 p -111.8 136.49 47.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.014 0.435 . . . . 0.0 111.03 -175.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -120.6 136.35 54.83 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.791 177.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.416 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -118.39 117.78 30.0 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.036 0.446 . . . . 0.0 111.503 -176.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -95.17 99.53 11.48 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 173.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.423 HD12 ' CE1' ' A' ' 37' ' ' PHE . 66.0 mt -100.96 133.39 45.51 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.143 0.497 . . . . 0.0 111.847 -172.716 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 64.2 mt -115.93 135.49 55.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.224 175.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.64 -174.26 2.9 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.031 0.443 . . . . 0.0 111.352 -179.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 45.7 t -88.75 114.97 62.11 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.055 179.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.409 ' HB2' ' HG3' ' A' ' 129' ' ' GLU . 33.7 Cg_endo -65.25 140.99 66.96 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.4 2.067 . . . . 0.0 111.956 179.051 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.407 HD12 ' N ' ' A' ' 128' ' ' LEU . 4.6 mp -83.86 56.58 3.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.071 0.463 . . . . 0.0 110.613 -177.522 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.409 ' HG3' ' HB2' ' A' ' 127' ' ' PRO . 49.0 mt-10 -97.35 -7.0 32.96 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.283 -177.445 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.69 138.65 53.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.047 0.451 . . . . 0.0 110.823 177.016 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -81.91 130.87 35.2 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.727 -176.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 32.3 p-80 -134.72 127.82 31.75 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 172.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -96.26 -66.21 0.92 Allowed 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -177.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -93.89 133.61 37.14 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 174.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 . . . . . 0 C--O 1.247 0.952 0 CA-C-O 117.892 -1.051 . . . . 0.0 109.547 -173.662 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ttt . . . . . 0 N--CA 1.482 1.138 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -127.84 123.42 35.08 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 176.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -84.48 42.05 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.642 0.734 . . . . 0.0 110.739 -176.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -137.63 141.57 41.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.166 -0.925 . . . . 0.0 108.873 176.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.1 t -151.48 27.96 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.088 0.47 . . . . 0.0 110.824 -175.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -90.89 -0.2 57.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.985 -175.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.1 tt -75.96 110.34 10.69 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.069 176.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -93.11 -174.93 0.47 Allowed 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 122.892 2.395 . . . . 0.0 113.155 -175.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.509 ' O ' ' HD3' ' A' ' 11' ' ' PRO . 80.4 m80 -133.79 150.97 51.45 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 176.127 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.436 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 71.4 m-85 -101.14 101.96 18.57 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-O 121.021 0.439 . . . . 0.0 110.685 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.509 ' HD3' ' O ' ' A' ' 9' ' ' HIS . 15.5 Cg_endo -91.35 113.64 0.38 Allowed 'Trans proline' 0 N--CA 1.448 -1.154 0 C-N-CA 123.541 2.827 . . . . 0.0 112.203 -178.159 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' A' ' 39' ' ' PRO . 24.0 ttm-85 62.28 29.75 17.4 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.672 177.196 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.3 m -90.6 103.41 16.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.875 -178.045 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -108.38 24.48 12.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.78 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -103.43 103.27 13.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.176 -177.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.7 mt -100.95 112.93 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 175.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.405 ' OD1' ' HA ' ' A' ' 26' ' ' PHE . 7.0 p-10 -91.56 -8.67 46.77 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -174.646 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.464 ' HB3' ' HB3' ' A' ' 25' ' ' TYR . . . -154.51 124.46 6.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.085 0.469 . . . . 0.0 111.804 175.259 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -137.16 137.01 38.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.238 0.542 . . . . 0.0 110.737 175.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 152.27 -167.39 31.29 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt 64.33 -83.05 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.943 0.437 . . . . 0.0 111.046 176.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.841 ' HA3' HD11 ' A' ' 128' ' ' LEU . . . -174.65 27.28 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 179.043 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -165.4 168.19 39.29 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.432 -178.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -104.01 120.59 41.39 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.53 ' HA ' ' O ' ' A' ' 29' ' ' MET . 86.3 t80 -109.86 113.38 26.06 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 175.294 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.405 ' HA ' ' OD1' ' A' ' 17' ' ' ASP . 30.6 p90 -142.22 127.89 19.19 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.804 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 64.2 11.14 6.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.057 -0.974 . . . . 0.0 113.018 172.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 130.22 -23.53 4.6 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 119.937 -1.125 . . . . 0.0 113.967 175.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.53 ' O ' ' HA ' ' A' ' 25' ' ' TYR . 13.0 ptp -106.6 144.46 33.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 117.757 0.778 . . . . 0.0 111.304 -178.276 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.5 t -117.18 100.44 7.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.222 176.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -108.35 121.18 44.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.679 0.276 . . . . 0.0 110.517 -176.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -86.41 152.67 22.51 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.002 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.91 -132.09 10.94 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.29 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.491 ' HB3' ' HE3' ' A' ' 45' ' ' TRP . 40.2 m -121.09 154.14 36.52 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.808 0.337 . . . . 0.0 110.896 -177.704 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 88.6 mt -138.52 152.33 48.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.844 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.873 ' HG ' ' HB2' ' A' ' 45' ' ' TRP . 82.8 mt -110.69 104.56 13.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.305 178.127 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.462 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 97.1 m-85 -90.33 98.58 11.86 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.2 mt -92.07 155.89 42.62 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.667 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.518 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 36.1 Cg_exo -61.82 -10.68 17.97 Favored 'Trans proline' 0 CA--C 1.53 0.288 0 C-N-CA 122.959 2.439 . . . . 0.0 113.521 -176.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -120.38 -24.63 5.83 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -177.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -164.43 161.03 21.25 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.814 0.34 . . . . 0.0 111.424 -178.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.1 t -104.68 128.64 58.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.429 179.376 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -129.09 174.85 9.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.456 179.428 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.51 156.17 22.5 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.309 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.873 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 12.3 t90 -131.06 122.33 26.55 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -90.86 74.05 6.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.374 0.607 . . . . 0.0 111.969 -172.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.9 t -135.05 116.04 19.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 168.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.7 m -83.82 -32.6 25.21 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 120.892 0.377 . . . . 0.0 111.905 -170.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.478 ' HE3' ' HB2' ' A' ' 49' ' ' LYS . 30.6 ttmt -138.33 125.95 13.66 Favored Pre-proline 0 C--N 1.323 -0.567 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.605 -175.361 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.467 ' HD3' HG21 ' A' ' 124' ' ' ILE . 25.6 Cg_endo -62.65 92.7 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.061 2.507 . . . . 0.0 112.308 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -179.16 -49.67 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.067 -0.97 . . . . 0.0 108.926 -177.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -96.21 51.47 1.22 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.142 -175.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 57.8 mt -92.3 118.17 37.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.339 173.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -134.23 -171.6 2.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.612 -174.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.521 ' HG3' ' CE2' ' A' ' 62' ' ' PHE . 18.4 ttt180 -72.46 -23.55 61.07 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -174.557 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -78.59 -31.78 47.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.986 0.422 . . . . 0.0 110.522 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.4 p -83.94 -28.02 28.13 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.962 0.411 . . . . 0.0 110.724 178.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 88.3 mt -91.52 9.6 31.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.906 175.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -62.12 -32.92 73.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.934 0.397 . . . . 0.0 111.028 -175.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.42 ' HD3' ' CD1' ' A' ' 36' ' ' LEU . 40.4 mtt85 -60.57 -31.31 70.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.12 175.341 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.487 HG11 HD22 ' A' ' 71' ' ' LEU . 64.0 t -76.52 -40.7 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.794 -178.554 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.521 ' CE2' ' HG3' ' A' ' 55' ' ' ARG . 74.3 m-85 -62.85 -32.41 73.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.558 -178.17 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -77.01 -50.1 13.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.059 0.457 . . . . 0.0 110.447 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -86.26 20.9 2.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.294 0.569 . . . . 0.0 110.754 -175.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.32 -9.83 27.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.078 0.466 . . . . 0.0 111.433 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -75.92 -22.54 55.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.527 176.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -112.35 -28.17 8.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.424 178.33 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 62.9 mt -87.97 87.58 2.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.308 177.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -82.69 -58.0 3.08 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.659 176.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.6 m -104.2 123.93 48.21 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.541 176.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.487 HD22 HG11 ' A' ' 61' ' ' VAL . 56.4 tp -115.45 128.07 55.78 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.041 0.448 . . . . 0.0 110.916 -177.542 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 74.4 mt -115.76 124.29 72.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.853 178.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.614 ' HB ' HG22 ' A' ' 99' ' ' THR . 92.8 t -116.8 120.81 66.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.925 0.393 . . . . 0.0 110.626 178.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -95.63 109.16 3.79 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 176.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.601 HG21 ' HB3' ' A' ' 80' ' ' TRP . 25.6 p -88.21 29.97 0.91 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.024 0.44 . . . . 0.0 111.929 -174.498 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.18 -133.65 11.97 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.17 178.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.69 -18.42 21.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.089 0.471 . . . . 0.0 110.781 179.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -99.17 162.25 13.16 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.1 t -108.94 107.95 24.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 120.837 0.351 . . . . 0.0 111.429 -175.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.601 ' HB3' HG21 ' A' ' 75' ' ' THR . 88.2 t90 -105.02 112.88 26.17 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 174.099 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 7.8 tp -87.08 134.64 27.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.716 -178.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.425 ' HA ' ' HD3' ' A' ' 83' ' ' PRO . . . -68.15 123.85 88.3 Favored Pre-proline 0 C--O 1.236 0.388 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.452 178.001 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 82' ' ' ALA . 33.1 Cg_exo -58.2 156.34 30.43 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 123.175 2.583 . . . . 0.0 112.392 -178.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.505 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 40.8 ttm180 -62.72 -45.66 91.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.973 -177.345 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -56.77 -41.58 77.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.917 0.389 . . . . 0.0 110.854 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.7 tp -67.31 -45.04 77.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.341 177.012 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.3 ttm180 -61.5 -40.18 93.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.472 -179.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 84' ' ' ARG . 33.5 mm-40 -59.34 -45.68 90.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.818 0.342 . . . . 0.0 110.482 177.235 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.27 96.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.865 178.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 66.4 mt -62.19 -46.9 86.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.305 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 91' ' ' ARG . 37.5 ttp-105 -67.52 -21.4 65.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.052 0.454 . . . . 0.0 110.491 -177.424 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -70.09 -19.25 75.42 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.845 175.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.401 ' O ' ' HB3' ' A' ' 94' ' ' ASN . 3.0 t -110.32 17.58 7.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 178.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.401 ' HB3' ' O ' ' A' ' 93' ' ' VAL . 8.4 t30 77.69 -11.45 1.2 Allowed 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.935 176.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 48.2 t -65.21 110.76 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.99 0.424 . . . . 0.0 111.557 -175.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 37.7 t -90.65 93.48 4.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.773 176.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.489 HD11 HG23 ' A' ' 73' ' ' VAL . 31.4 tp -102.64 126.64 49.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.245 0.545 . . . . 0.0 112.044 -176.224 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -126.94 135.07 50.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.58 172.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.614 HG22 ' HB ' ' A' ' 73' ' ' VAL . 33.1 p -108.96 142.04 40.18 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.784 0.326 . . . . 0.0 110.947 -177.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -162.26 -174.38 4.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.907 178.062 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -66.29 151.25 47.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.462 176.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.472 ' O ' HG13 ' A' ' 106' ' ' ILE . 17.5 m -63.36 -29.8 71.05 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.474 -177.581 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -57.24 -67.11 2.38 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 121.173 -0.537 . . . . 0.0 112.83 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -58.35 -28.27 84.21 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.83 2.353 . . . . 0.0 112.51 175.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.78 -49.44 72.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.845 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 102' ' ' THR . 79.2 mt -58.68 -43.96 88.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.524 178.189 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 69.8 mtt85 -57.52 -53.57 56.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.339 178.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.8 m -63.49 -43.62 96.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.66 -177.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -63.49 -47.76 80.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.999 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -53.76 -48.38 69.78 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.348 0.405 . . . . 0.0 111.549 -177.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 70.3 mt -69.66 -47.86 68.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.1 0.476 . . . . 0.0 110.753 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 12.6 tpt -64.49 -42.64 95.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.676 -175.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.782 ' HA ' ' HA ' ' A' ' 117' ' ' ARG . 10.1 tp -68.24 -28.57 41.3 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-O 121.031 0.443 . . . . 0.0 110.631 -177.568 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -77.69 -43.02 15.85 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.455 -0.879 . . . . 0.0 111.71 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -74.42 -60.27 2.35 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -176.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.59 ' O ' ' HG2' ' A' ' 117' ' ' ARG . 47.7 mtt180 -121.49 -17.16 7.63 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.176 0.435 . . . . 0.0 112.176 -172.585 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.782 ' HA ' ' HA ' ' A' ' 113' ' ' ILE . 2.2 ptp180 45.55 36.54 2.58 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.717 0.807 . . . . 0.0 112.196 -179.181 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -94.55 23.79 5.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.466 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 14.4 p -133.67 149.58 31.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.036 -171.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -124.19 142.05 51.55 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 172.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.462 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -117.08 120.1 37.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.091 0.472 . . . . 0.0 112.08 -174.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.561 ' HB3' HG22 ' A' ' 73' ' ' VAL . . . -105.3 97.19 7.07 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 172.036 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 87.9 mt -105.8 128.57 53.81 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.417 -171.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.467 HG21 ' HD3' ' A' ' 50' ' ' PRO . 35.6 mt -102.74 144.35 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.41 175.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -72.65 156.96 38.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.938 0.399 . . . . 0.0 110.893 178.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.463 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . 17.8 m -74.01 137.64 76.06 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.8 178.12 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 126' ' ' VAL . 31.4 Cg_exo -61.78 134.4 50.18 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.891 2.394 . . . . 0.0 112.147 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.841 HD11 ' HA3' ' A' ' 22' ' ' GLY . 5.4 mp -87.51 -53.69 4.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.168 0.509 . . . . 0.0 110.51 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -79.87 91.28 5.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.336 -175.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -78.53 87.82 4.49 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 168.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.405 ' C ' ' H ' ' A' ' 133' ' ' HIS . 6.0 t-160 -80.82 36.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.598 -169.653 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 73.99 -31.27 0.22 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.446 0.698 . . . . 0.0 112.019 174.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.405 ' H ' ' C ' ' A' ' 131' ' ' HIS . 7.8 t-80 -77.43 147.8 35.78 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -179.171 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -90.2 150.76 21.85 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.553 -0.737 . . . . 0.0 109.493 174.656 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.68 150.98 48.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.978 -178.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -100.46 -27.82 13.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.277 176.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 4' ' ' ARG . 16.3 ptt180 -153.92 93.48 1.65 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.799 177.027 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 t -160.69 108.9 1.6 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.651 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -139.32 96.72 3.15 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.797 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.417 ' HA ' ' HD2' ' A' ' 8' ' ' PRO . 46.3 mm 62.86 88.98 0.11 Allowed Pre-proline 0 C--O 1.234 0.27 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.746 -177.597 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 7' ' ' ILE . 17.9 Cg_endo -61.15 -35.8 84.21 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.75 2.3 . . . . 0.0 112.295 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 -163.21 149.13 11.84 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 176.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -74.0 115.0 38.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 176.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.44 ' HA ' ' O ' ' A' ' 40' ' ' ASP . 71.7 Cg_endo -87.59 89.37 0.56 Allowed 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.87 2.38 . . . . 0.0 113.625 -173.271 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 12' ' ' ARG . 33.0 ttp-105 63.57 104.43 0.03 OUTLIER 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.796 170.365 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.4 m -90.0 103.3 15.98 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 171.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.9 -45.59 10.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.917 0.389 . . . . 0.0 111.402 -175.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -96.42 102.68 14.5 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.603 -179.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.428 ' HB ' ' CG2' ' A' ' 106' ' ' ILE . 45.0 mt -99.8 140.94 17.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -99.89 -167.45 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.386 -176.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.63 147.93 5.93 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -178.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -133.42 157.79 44.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.991 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.96 -83.13 0.32 Allowed Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.217 177.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.475 ' HA ' ' HD3' ' A' ' 21' ' ' LYS . 26.1 mmtp -73.44 106.36 5.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.235 0.54 . . . . 0.0 110.792 -179.114 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.59 -3.29 71.38 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.874 -177.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.44 ' HA3' ' O ' ' A' ' 32' ' ' GLN . . . 99.77 -126.56 8.96 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.896 -0.668 . . . . 0.0 111.762 -178.521 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -99.01 124.36 43.94 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 176.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -125.07 103.6 8.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.483 -174.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -142.57 177.22 8.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.48 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.04 97.18 3.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.311 0.577 . . . . 0.0 111.195 -176.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 154.09 -74.24 0.24 Allowed Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 58.5 mtt -140.77 141.79 34.79 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 173.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.8 m -132.65 113.13 12.65 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.68 -178.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 175.06 171.39 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.134 -176.16 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.44 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 32.1 mt-30 71.71 149.33 0.09 Allowed 'General case' 0 N--CA 1.467 0.421 0 O-C-N 124.096 0.872 . . . . 0.0 112.124 174.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.6 1.63 69.22 Favored Glycine 0 N--CA 1.445 -0.717 0 CA-C-N 115.454 -0.794 . . . . 0.0 112.457 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.572 ' HB2' ' O ' ' A' ' 45' ' ' TRP . 49.3 m -156.29 148.23 23.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.951 0.405 . . . . 0.0 110.483 178.116 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 82.3 mt -139.76 142.09 36.79 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.939 176.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.3 tt -105.42 105.07 14.94 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.552 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 99.2 m-85 -96.3 111.33 23.44 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.061 -177.254 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.558 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 94.3 mt -89.74 163.64 31.96 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 171.198 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.558 ' HD2' ' HB3' ' A' ' 38' ' ' LEU . 33.3 Cg_endo -65.48 11.9 0.13 Allowed 'Trans proline' 0 CA--C 1.535 0.572 0 C-N-CA 122.679 2.253 . . . . 0.0 114.286 -177.576 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.44 ' O ' ' HA ' ' A' ' 11' ' ' PRO . 14.4 t70 -162.54 -40.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.882 0.372 . . . . 0.0 110.859 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.428 ' O ' ' HB2' ' A' ' 38' ' ' LEU . . . -106.81 135.65 47.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.828 0.347 . . . . 0.0 111.439 -177.603 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.6 t -102.22 127.29 55.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.246 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 65.3 m95 -120.03 145.3 46.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.949 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -83.75 131.89 10.71 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 176.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.572 ' O ' ' HB2' ' A' ' 34' ' ' SER . 0.8 OUTLIER -119.95 104.59 10.29 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -174.31 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -78.93 84.73 4.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.292 0.567 . . . . 0.0 110.818 -177.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.466 HG13 ' HB3' ' A' ' 52' ' ' GLN . 92.7 t -134.62 143.7 36.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.436 179.142 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.8 m -130.87 -5.55 4.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.338 0.589 . . . . 0.0 110.694 177.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -136.18 137.06 23.72 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.227 -178.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -62.66 -19.69 68.81 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.3 2.0 . . . . 0.0 110.948 173.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -72.22 -12.81 61.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.828 178.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.466 ' HB3' HG13 ' A' ' 47' ' ' VAL . 39.5 tt0 -91.71 19.37 6.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.002 -173.221 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 64.3 mt -102.28 103.52 15.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.239 0.543 . . . . 0.0 111.707 -176.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -121.87 178.09 5.02 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 174.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -64.51 -25.54 68.04 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 176.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -65.41 -40.65 93.65 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.0 174.035 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.5 m -69.33 -33.08 72.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.116 178.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 87.5 mt -94.93 27.22 3.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.661 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -54.18 -41.73 68.86 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.41 -177.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -66.92 -36.39 82.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.847 0.356 . . . . 0.0 110.851 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.518 HG11 HD22 ' A' ' 71' ' ' LEU . 61.4 t -68.93 -42.64 82.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.006 -176.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -70.74 -20.13 62.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.762 0.315 . . . . 0.0 111.389 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -84.43 -51.31 7.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.047 0.451 . . . . 0.0 110.491 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -90.22 25.8 2.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.535 -179.056 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.68 -37.38 68.23 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -173.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -57.96 -39.64 78.63 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.056 0.455 . . . . 0.0 110.611 -178.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.77 -11.72 55.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.714 -175.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.8 mt -103.28 108.67 24.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.963 0.411 . . . . 0.0 110.802 -178.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -92.69 -43.2 9.2 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.284 0.564 . . . . 0.0 109.808 177.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.6 m -120.27 126.73 51.31 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.75 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.518 HD22 HG11 ' A' ' 61' ' ' VAL . 61.3 tp -111.92 105.13 13.48 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.875 178.25 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 61.0 mt -95.02 119.41 43.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.08 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.3 t -111.81 117.78 56.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.506 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.556 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -93.99 107.92 3.6 Favored Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 176.67 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 22.2 p -89.06 30.2 0.97 Allowed 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -173.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.46 -74.66 2.49 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.422 178.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -137.75 -68.75 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.872 0.368 . . . . 0.0 110.68 -178.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -81.62 137.0 35.53 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.105 179.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.682 HG13 ' HB ' ' A' ' 99' ' ' THR . 87.4 t -74.34 122.52 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.083 0.468 . . . . 0.0 110.837 -178.213 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 77.6 t90 -98.58 128.53 44.93 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.903 178.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 64.3 mt -91.41 116.88 33.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.401 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.01 155.66 71.53 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.222 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.458 ' HD2' HD23 ' A' ' 86' ' ' LEU . 85.2 Cg_exo -49.07 141.78 21.92 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.926 2.417 . . . . 0.0 112.344 177.08 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 75.8 mtt85 -50.03 -50.23 48.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.488 -175.325 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -77.5 -21.4 52.83 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.519 -176.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.458 HD23 ' HD2' ' A' ' 83' ' ' PRO . 55.1 tp -75.64 -39.83 57.15 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 175.178 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -59.76 -47.84 84.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.757 174.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.41 -41.33 98.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.735 178.573 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.484 ' O ' HG23 ' A' ' 93' ' ' VAL . . . -56.53 -49.2 75.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.85 -53.55 56.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.388 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -65.0 -26.67 68.39 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.707 0.289 . . . . 0.0 111.544 -177.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.89 -29.32 75.03 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.815 176.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 89' ' ' ALA . 5.6 t -94.68 16.51 1.86 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-O 121.145 0.498 . . . . 0.0 109.823 179.147 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.469 ' HB3' ' O ' ' A' ' 93' ' ' VAL . 8.8 t30 80.12 -13.49 0.94 Allowed 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.428 177.685 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 43.1 t -68.6 105.55 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.136 0.493 . . . . 0.0 110.958 -178.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 66.3 t -76.74 113.2 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.625 179.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 63.6 tp -80.02 116.84 20.38 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.643 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -118.68 112.34 19.68 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.305 178.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.682 ' HB ' HG13 ' A' ' 79' ' ' VAL . 7.6 p -97.55 118.17 33.45 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.518 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.556 ' O ' ' HA2' ' A' ' 74' ' ' GLY . 49.2 tpp -141.46 163.45 32.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.339 -173.444 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -65.4 140.64 58.66 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 171.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.54 ' O ' HG13 ' A' ' 106' ' ' ILE . 19.9 m -55.04 -45.4 75.21 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -172.426 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -54.17 -68.27 1.74 Allowed Glycine 0 CA--C 1.525 0.671 0 C-N-CA 121.269 -0.491 . . . . 0.0 113.48 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.19 -36.16 84.92 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.509 2.139 . . . . 0.0 112.277 176.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.76 -39.83 90.21 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 120.768 0.318 . . . . 0.0 111.064 178.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.54 HG13 ' O ' ' A' ' 102' ' ' THR . 76.5 mt -58.31 -45.67 89.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.281 176.09 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -67.71 -40.63 84.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.8 m -57.87 -46.44 84.85 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.2 0.524 . . . . 0.0 110.047 176.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -62.16 -46.73 87.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.814 177.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -53.07 -45.52 68.17 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.712 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 66.4 mt -71.02 -48.81 53.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.828 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 46.2 tpp -65.87 -36.38 83.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.95 -174.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.417 HD11 ' HA ' ' A' ' 39' ' ' PRO . 11.2 tp -67.43 -24.65 31.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.775 0.321 . . . . 0.0 111.123 -176.532 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -96.13 -16.79 36.84 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.104 178.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -88.48 -63.75 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.95 0.405 . . . . 0.0 111.071 -177.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.449 ' O ' ' HB2' ' A' ' 117' ' ' ARG . 15.6 ttm180 -128.27 -22.03 3.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.062 -172.185 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' A' ' 116' ' ' ARG . 84.0 mtt85 66.05 -142.78 0.18 Allowed 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 -171.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 63.72 21.57 12.74 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.259 0.552 . . . . 0.0 110.756 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 9.3 p -126.73 140.15 49.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.554 -175.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -121.91 137.47 54.77 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.345 174.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.552 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -113.36 110.39 20.26 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.076 0.465 . . . . 0.0 111.337 -176.28 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -97.25 95.09 7.48 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 173.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 96.0 mt -104.76 120.91 42.48 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.562 -171.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 55.3 mt -109.26 142.83 20.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.455 176.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -92.53 177.8 6.01 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 176.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.424 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . 30.5 m -72.69 140.71 81.65 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 178.276 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 126' ' ' VAL . 23.4 Cg_exo -64.41 86.49 0.16 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.05 2.5 . . . . 0.0 112.35 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 62.1 tp -73.72 -41.93 61.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.159 -178.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -96.96 -179.4 4.54 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.226 0.536 . . . . 0.0 111.279 -176.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -137.17 106.22 5.98 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.791 -178.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -128.14 98.92 5.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.109 -176.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -80.89 70.59 7.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.327 0.584 . . . . 0.0 109.964 172.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -76.8 -45.58 28.24 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.381 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -143.08 -37.39 0.36 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.695 178.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 . . . . . 0 C--O 1.245 0.82 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -179.744 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.7 108.64 19.09 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.038 0.446 . . . . 0.0 112.109 -173.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -117.74 166.74 12.08 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 171.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -74.94 84.78 2.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.383 0.611 . . . . 0.0 109.429 173.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.7 t -145.8 145.33 30.75 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.795 -177.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -89.64 -6.23 56.38 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.198 0.523 . . . . 0.0 110.02 178.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.2 mt -128.36 94.26 36.28 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.606 176.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -92.16 29.89 0.33 Allowed 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 123.183 2.588 . . . . 0.0 112.591 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -167.63 -171.62 1.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.847 -176.125 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -58.93 144.69 81.43 Favored Pre-proline 0 C--N 1.33 -0.279 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 174.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.1 33.65 0.21 Allowed 'Trans proline' 0 N--CA 1.478 0.606 0 C-N-CA 123.383 2.722 . . . . 0.0 114.115 -173.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 54.23 40.3 31.57 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.4 0.619 . . . . 0.0 110.675 177.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.0 t -90.2 143.36 26.84 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.594 -178.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.38 5.17 9.66 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.573 176.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.57 107.14 19.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.973 -178.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.514 HD12 HG23 ' A' ' 106' ' ' ILE . 68.2 mt -76.89 108.0 9.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 173.244 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.566 ' HB3' ' HA ' ' A' ' 26' ' ' PHE . 16.0 t70 -63.99 -60.63 3.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.282 -172.676 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.413 ' HB3' ' HD2' ' A' ' 25' ' ' TYR . . . -145.62 159.1 43.64 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 -178.472 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.473 ' OH ' HG22 ' A' ' 126' ' ' VAL . 75.7 t80 -114.3 115.29 27.16 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 175.1 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.89 -170.8 16.06 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.476 -0.868 . . . . 0.0 112.471 -175.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.482 ' HE2' HD22 ' A' ' 128' ' ' LEU . 53.5 tttm -89.46 119.8 30.22 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.633 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.76 -14.39 29.43 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.688 -176.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 152.25 -171.84 31.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.792 177.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -76.23 157.42 32.64 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.784 0.326 . . . . 0.0 110.781 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.413 ' HD2' ' HB3' ' A' ' 18' ' ' ALA . 86.9 t80 -137.36 131.66 32.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.986 -178.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.566 ' HA ' ' HB3' ' A' ' 17' ' ' ASP . 42.9 p90 -142.49 177.22 8.43 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 171.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.77 103.89 0.3 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.948 0.404 . . . . 0.0 111.19 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 121.18 -99.72 0.71 Allowed Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.246 179.346 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.671 ' HG2' HE21 ' A' ' 32' ' ' GLN . 26.8 ttt -89.47 152.47 21.44 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.698 0.285 . . . . 0.0 110.485 -176.022 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.7 p -158.56 -171.79 3.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.133 -177.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 64.4 t60 69.29 24.81 5.79 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 122.133 0.968 . . . . 0.0 109.714 -178.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.671 HE21 ' HG2' ' A' ' 29' ' ' MET . 58.1 mt-30 -93.69 106.59 18.55 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.403 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.04 -42.74 7.45 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.917 -0.659 . . . . 0.0 113.198 -174.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.497 ' OG ' ' HB3' ' A' ' 45' ' ' TRP . 22.7 t -114.33 115.8 27.95 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -178.228 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.451 HD21 ' HB3' ' A' ' 32' ' ' GLN . 86.7 mt -132.52 137.29 47.11 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.223 0.535 . . . . 0.0 111.699 -176.639 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.485 HD23 ' HD2' ' A' ' 60' ' ' ARG . 56.7 tp -106.25 100.63 10.15 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.404 -0.816 . . . . 0.0 108.87 174.039 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.506 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 90.0 m-85 -83.11 102.68 11.99 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.534 -178.035 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.441 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 80.1 mt -89.3 152.05 47.22 Favored Pre-proline 0 C--N 1.319 -0.723 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 174.042 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 38' ' ' LEU . 15.0 Cg_exo -69.98 39.17 0.28 Allowed 'Trans proline' 0 CA--C 1.534 0.493 0 C-N-CA 123.368 2.712 . . . . 0.0 113.482 -175.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -170.2 -35.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.93 0.395 . . . . 0.0 110.726 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -146.57 146.74 30.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -178.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 37.7 t -97.58 126.71 50.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.066 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 99.7 m95 -119.59 152.57 36.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.832 0.349 . . . . 0.0 110.961 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -84.38 127.1 7.94 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.499 175.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.497 ' HB3' ' OG ' ' A' ' 34' ' ' SER . 2.3 t90 -93.64 152.04 19.26 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 -177.077 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -97.89 16.96 19.3 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.624 0.726 . . . . 0.0 111.152 -172.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.565 HG13 ' HB2' ' A' ' 52' ' ' GLN . 90.0 t -114.55 95.6 3.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.302 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.0 m -89.31 -30.39 18.47 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.019 0.438 . . . . 0.0 111.018 -176.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 54.6 mtmt -113.53 133.79 22.11 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 176.037 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 49' ' ' LYS . 31.6 Cg_exo -59.39 174.6 1.01 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.144 2.563 . . . . 0.0 113.155 -178.088 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 75.95 -7.82 1.73 Allowed 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.004 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.565 ' HB2' HG13 ' A' ' 47' ' ' VAL . 46.9 mt-30 -93.92 23.24 5.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.193 0.52 . . . . 0.0 110.101 175.098 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 59.2 mt -86.78 102.11 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.733 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -132.3 172.73 12.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.322 -175.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.9 mtp85 -53.94 -37.26 63.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.146 176.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -63.49 -44.54 94.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.693 176.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -68.24 -34.1 75.59 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.168 -177.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.4 mt -99.75 15.04 28.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.332 -176.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -60.47 -35.31 75.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.824 0.345 . . . . 0.0 110.888 -176.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.485 ' HD2' HD23 ' A' ' 36' ' ' LEU . 39.6 ttm-85 -66.66 -30.32 70.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.391 178.688 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.51 HG11 HD22 ' A' ' 71' ' ' LEU . 77.2 t -66.73 -39.23 83.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.017 178.151 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -64.82 -34.73 79.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.83 176.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -75.37 -44.13 46.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.429 -178.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -92.07 23.52 3.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.68 0.276 . . . . 0.0 111.17 -178.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.05 -23.82 64.05 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -176.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -76.53 -0.99 25.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.71 0.291 . . . . 0.0 111.258 -178.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -126.08 5.14 7.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.913 0.387 . . . . 0.0 110.573 177.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.6 mt -119.43 111.81 34.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.084 -176.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.447 ' HB2' ' HE ' ' A' ' 118' ' ' ARG . 23.2 t70 -95.17 -52.26 4.27 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.266 174.138 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.0 m -112.68 133.04 54.91 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.235 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.51 HD22 HG11 ' A' ' 61' ' ' VAL . 64.3 tp -113.75 100.59 8.58 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 177.334 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 65.7 mt -91.64 117.72 35.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.147 -0.478 . . . . 0.0 109.967 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 40.0 t -107.99 115.37 48.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.322 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.568 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -93.06 101.09 2.73 Favored Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 178.468 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.601 HG21 ' HB3' ' A' ' 80' ' ' TRP . 33.6 p -94.54 40.25 1.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -172.222 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.43 -138.14 15.56 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.522 176.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -101.87 10.24 39.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.982 0.42 . . . . 0.0 110.789 -177.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -131.27 149.27 52.64 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.973 -177.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.8 t -84.95 108.61 17.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.905 0.384 . . . . 0.0 110.517 -179.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.601 ' HB3' HG21 ' A' ' 75' ' ' THR . 80.4 t90 -91.85 120.7 32.79 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 65.6 mt -87.45 117.43 31.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.369 -177.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.63 131.13 80.27 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.503 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -54.09 143.9 60.47 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 123.013 2.475 . . . . 0.0 112.001 178.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.644 ' HG2' HH21 ' A' ' 87' ' ' ARG . 68.3 mtm-85 -62.45 -30.54 71.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.439 -175.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -62.09 -50.43 71.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.022 0.439 . . . . 0.0 110.496 175.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.2 tp -66.49 -42.61 87.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.7 -179.346 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.644 HH21 ' HG2' ' A' ' 84' ' ' ARG . 63.1 ttp85 -64.66 -45.16 87.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.226 -178.131 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -65.6 -35.3 80.42 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.38 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.578 ' O ' HG23 ' A' ' 93' ' ' VAL . . . -59.92 -52.44 65.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.507 177.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.648 HD12 HD22 ' A' ' 97' ' ' LEU . 97.2 mt -61.44 -39.29 90.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.49 177.728 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -59.69 -38.9 82.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.411 178.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -69.56 -23.54 76.57 Favored Glycine 0 N--CA 1.452 -0.262 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.402 178.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 89' ' ' ALA . 17.3 t -86.4 7.79 2.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-O 121.464 0.65 . . . . 0.0 109.535 177.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 66.8 t30 74.93 13.1 3.41 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.819 178.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 57.8 t -96.72 113.22 30.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.098 178.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.4 t -77.04 103.23 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.927 0.394 . . . . 0.0 110.284 178.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.648 HD22 HD12 ' A' ' 90' ' ' LEU . 68.1 tp -77.89 124.59 28.19 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.836 -178.575 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -136.8 116.57 13.07 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.843 178.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.45 HG21 ' O ' ' A' ' 80' ' ' TRP . 6.1 m -101.71 138.08 39.17 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.429 -178.2 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.568 ' O ' ' HA2' ' A' ' 74' ' ' GLY . 48.3 ttm -154.57 158.75 40.24 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -176.551 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -65.53 144.55 56.93 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 174.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.481 ' O ' HG13 ' A' ' 106' ' ' ILE . 22.7 m -53.27 -40.92 65.03 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -172.72 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.58 -67.29 2.29 Favored Glycine 0 CA--C 1.522 0.503 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.631 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.424 ' HB2' ' SD ' ' A' ' 100' ' ' MET . 35.5 Cg_exo -58.64 -25.93 77.14 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.751 2.301 . . . . 0.0 112.592 176.214 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.98 -40.68 91.41 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.679 0.275 . . . . 0.0 110.857 177.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.514 HG23 HD12 ' A' ' 16' ' ' ILE . 86.2 mt -61.87 -42.42 94.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.266 0.555 . . . . 0.0 109.603 174.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.416 ' O ' HG13 ' A' ' 111' ' ' ILE . 28.5 tpt180 -57.96 -55.35 36.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.049 177.54 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.2 p -66.59 -42.11 87.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.753 -176.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.401 ' O ' HG12 ' A' ' 113' ' ' ILE . 61.8 t80 -59.57 -43.56 93.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.751 0.31 . . . . 0.0 110.684 178.18 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -61.39 -37.59 83.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.597 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 107' ' ' ARG . 75.7 mt -72.2 -40.22 65.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.052 0.453 . . . . 0.0 110.729 178.616 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.408 ' HA ' ' HB3' ' A' ' 115' ' ' GLU . 51.5 mtt -70.82 -4.2 22.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.238 -177.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 109' ' ' TYR . 44.4 mm -67.68 -56.05 14.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 175.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -77.15 -12.38 84.67 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.806 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.408 ' HB3' ' HA ' ' A' ' 112' ' ' MET . 34.3 tt0 -94.12 -56.57 2.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.834 0.349 . . . . 0.0 111.431 178.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 116' ' ' ARG . 3.4 tpp85 -101.95 -63.76 1.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.871 -170.353 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 117' ' ' ARG . 12.2 ttp180 62.1 18.48 10.06 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.786 0.803 . . . . 0.0 110.028 -172.197 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.447 ' HE ' ' HB2' ' A' ' 69' ' ' ASP . 36.3 ttt85 -133.47 37.02 3.35 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 176.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 4.8 p -119.73 130.16 74.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 114.505 -1.225 . . . . 0.0 110.317 -177.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -103.54 126.8 50.91 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 177.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.506 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -113.32 109.65 19.06 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.135 0.493 . . . . 0.0 111.391 -176.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -89.06 95.5 10.34 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 173.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 81.7 mt -105.83 117.98 35.41 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.212 -172.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 64.8 mt -104.76 123.91 59.05 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.505 175.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.0 140.84 51.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.207 176.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.473 HG22 ' OH ' ' A' ' 19' ' ' TYR . 34.4 m -64.14 122.82 79.82 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-O 120.911 0.386 . . . . 0.0 111.235 -176.209 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -61.79 108.11 0.6 Allowed 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.574 2.183 . . . . 0.0 111.185 177.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.482 HD22 ' HE2' ' A' ' 21' ' ' LYS . 29.9 tp -58.28 -67.24 0.37 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.069 -179.446 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.415 ' HB3' ' H ' ' A' ' 130' ' ' HIS . 1.1 tm-20 64.92 -85.78 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.37 0 O-C-N 123.861 0.726 . . . . 0.0 110.654 174.574 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.415 ' H ' ' HB3' ' A' ' 129' ' ' GLU . 46.0 m80 -136.88 99.91 4.16 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 176.431 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -104.56 -47.41 4.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.204 -177.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -75.61 6.15 5.16 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -176.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -164.07 131.76 3.42 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 173.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -120.79 -55.6 1.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.9 0.381 . . . . 0.0 110.323 178.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 46.6 m80 . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.599 -0.715 . . . . 0.0 110.069 -179.904 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.63 141.76 32.26 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.922 0.392 . . . . 0.0 110.887 177.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -79.94 149.09 30.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.287 177.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.407 ' HA ' ' HD3' ' A' ' 4' ' ' ARG . 5.6 mmt180 59.37 82.24 0.15 Allowed 'General case' 0 C--O 1.234 0.285 0 O-C-N 123.789 0.68 . . . . 0.0 111.357 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m -76.48 118.04 18.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.535 178.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -60.36 -56.67 18.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.453 -175.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.1 mt -113.16 105.43 55.49 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.734 -177.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -74.41 99.73 1.24 Allowed 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.836 2.357 . . . . 0.0 111.719 177.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -157.64 -173.61 4.47 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.415 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -67.5 145.22 98.26 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 171.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -72.71 16.82 0.39 Allowed 'Trans proline' 0 N--CA 1.473 0.316 0 C-N-CA 122.907 2.405 . . . . 0.0 113.862 -172.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.1 ttt85 57.25 80.38 0.16 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.743 0.783 . . . . 0.0 109.96 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.7 m -90.18 112.42 23.91 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.251 -171.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.433 ' HB1' HG21 ' A' ' 113' ' ' ILE . . . -94.39 -4.98 47.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.217 -179.183 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -151.45 126.99 10.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.965 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.549 ' H ' HD12 ' A' ' 16' ' ' ILE . 3.8 mp -64.06 132.51 29.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 176.145 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -81.15 -41.0 23.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.608 0.242 . . . . 0.0 110.859 -174.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.41 ' HB3' ' HD2' ' A' ' 25' ' ' TYR . . . -165.02 174.17 10.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.72 177.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -137.0 123.42 20.78 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 176.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.58 135.45 7.86 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.272 -0.966 . . . . 0.0 112.864 -175.156 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm 64.9 -90.87 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 123.277 0.631 . . . . 0.0 110.404 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.05 37.77 0.93 Allowed Glycine 0 N--CA 1.445 -0.761 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.587 ' HA3' ' HG2' ' A' ' 32' ' ' GLN . . . -151.97 158.6 27.88 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.957 -0.64 . . . . 0.0 111.874 -179.259 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -91.5 144.32 25.68 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.996 0.427 . . . . 0.0 110.186 -177.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.41 ' HD2' ' HB3' ' A' ' 18' ' ' ALA . 55.9 t80 -121.4 131.91 54.45 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.009 179.521 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -134.15 177.18 7.94 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.53 178.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.22 98.76 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.436 0.46 . . . . 0.0 110.936 178.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 137.61 -75.64 0.38 Allowed Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.272 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 24.1 ttt -147.84 158.48 44.05 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 -176.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.1 t -97.89 151.9 19.77 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 177.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -143.83 128.0 17.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.93 0.395 . . . . 0.0 110.819 176.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.587 ' HG2' ' HA3' ' A' ' 23' ' ' GLY . 52.8 mt-30 -91.27 162.99 14.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.765 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.39 -99.62 1.88 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.376 178.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.5 t -152.91 143.47 22.68 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -178.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 90.7 mt -126.84 137.85 53.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.793 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.659 ' HG ' ' HB2' ' A' ' 45' ' ' TRP . 91.6 mt -101.53 107.45 18.74 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.321 179.452 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.541 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 87.2 m-85 -89.0 99.58 12.54 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.633 177.675 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.2 mt -98.22 162.11 23.13 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.212 -178.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.84 -15.2 36.66 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.87 2.38 . . . . 0.0 113.074 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -95.7 -58.24 2.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.985 0.421 . . . . 0.0 110.525 178.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -157.72 -179.59 8.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.668 -177.173 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.6 t -100.65 130.16 50.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.346 -179.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -123.36 178.03 5.34 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.279 178.178 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -103.38 144.25 15.93 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.615 -0.802 . . . . 0.0 111.896 179.12 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.659 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 4.0 t90 -111.83 132.91 54.38 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.563 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -81.21 4.42 20.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.912 0.863 . . . . 0.0 111.391 -173.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.488 HG21 ' HB3' ' A' ' 57' ' ' SER . 58.2 t -93.99 88.8 2.43 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.231 176.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.4 p -82.78 -7.69 59.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.987 -173.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.442 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 98.1 mttt -135.9 139.43 30.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.462 -178.586 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.499 ' O ' ' HB3' ' A' ' 51' ' ' GLU . 21.1 Cg_exo -65.45 177.82 2.47 Favored 'Trans proline' 0 C--O 1.237 0.457 0 C-N-CA 122.847 2.365 . . . . 0.0 111.943 177.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.565 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 31.3 tt0 75.18 -44.15 0.53 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.199 0.599 . . . . 0.0 111.819 179.458 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -78.82 33.89 0.22 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.072 0.463 . . . . 0.0 111.56 -176.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 62.5 mt -103.06 118.86 50.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.181 -178.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -137.56 -170.94 2.86 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 178.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -56.28 -40.73 74.73 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.154 0.502 . . . . 0.0 110.826 178.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -63.47 -37.18 86.3 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.869 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.488 ' HB3' HG21 ' A' ' 47' ' ' VAL . 2.5 m -71.41 -34.65 70.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.385 0.612 . . . . 0.0 110.02 178.697 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.1 mt -94.58 15.47 17.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.073 -178.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -58.07 -40.34 80.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.049 0.452 . . . . 0.0 110.537 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -66.5 -27.58 67.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.187 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.8 t -79.8 -43.26 22.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.526 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -57.95 -34.9 70.41 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.591 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -63.83 -42.15 97.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.794 0.331 . . . . 0.0 111.115 179.128 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -103.27 22.91 13.28 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.444 0.64 . . . . 0.0 110.209 -177.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.86 -17.17 64.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.13 -175.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -85.93 -1.5 57.36 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.754 0.311 . . . . 0.0 111.015 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -119.14 -5.36 10.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.069 0.461 . . . . 0.0 110.592 177.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.8 mt -109.73 107.55 23.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.481 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -79.63 -67.94 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.48 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.459 ' O ' ' HA ' ' A' ' 119' ' ' VAL . 30.1 m -104.52 139.77 38.93 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.954 178.696 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.8 tp -125.59 105.37 8.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.762 0.315 . . . . 0.0 110.226 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 73.0 mt -92.26 117.28 35.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.162 0.506 . . . . 0.0 110.148 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.8 t -106.41 121.11 58.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.355 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.535 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -96.96 108.65 3.7 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 177.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.596 HG21 ' HB3' ' A' ' 80' ' ' TRP . 34.0 p -86.37 14.35 6.78 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.119 0.485 . . . . 0.0 111.909 -175.442 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.37 -110.29 3.33 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.843 176.107 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.95 -63.24 1.29 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.796 0.332 . . . . 0.0 111.337 -175.041 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -87.44 162.31 17.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.064 -178.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.3 p -99.23 121.58 50.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.365 0.602 . . . . 0.0 111.409 -177.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.596 ' HB3' HG21 ' A' ' 75' ' ' THR . 58.1 t90 -94.77 122.78 37.73 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.28 174.721 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 66.9 mt -87.59 106.56 16.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.948 0.404 . . . . 0.0 110.015 -177.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.422 ' HA ' ' HD3' ' A' ' 83' ' ' PRO . . . -57.14 126.02 72.3 Favored Pre-proline 0 C--O 1.235 0.332 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.668 177.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 82' ' ' ALA . 42.9 Cg_exo -57.27 147.04 79.18 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 123.1 2.533 . . . . 0.0 112.482 -177.49 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 17.3 mtm180 -55.51 -44.0 76.19 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.084 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -57.1 -51.43 69.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.013 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.1 tp -65.49 -40.27 92.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.609 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -65.69 -40.6 92.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.557 -178.178 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -65.05 -43.18 93.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.635 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.45 -36.04 77.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.065 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.427 ' HB3' ' HB ' ' A' ' 95' ' ' VAL . 91.4 mt -68.84 -48.64 62.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.986 178.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 62.0 mtp180 -71.02 -18.23 62.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.958 -178.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.25 -26.22 70.35 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 174.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.485 ' O ' ' HB2' ' A' ' 94' ' ' ASN . 40.1 t -94.32 -56.45 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 176.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.485 ' HB2' ' O ' ' A' ' 93' ' ' VAL . 0.2 OUTLIER 170.96 -29.39 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.154 -177.495 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.427 ' HB ' ' HB3' ' A' ' 90' ' ' LEU . 57.4 t -63.79 111.79 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -170.184 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.0 t -93.96 96.6 6.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 173.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.2 tt -80.28 130.56 35.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.428 -178.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -127.05 127.48 44.79 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.467 177.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.497 HG21 ' O ' ' A' ' 80' ' ' TRP . 6.5 m -97.23 124.42 41.31 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.94 -175.427 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.535 ' O ' ' HA2' ' A' ' 74' ' ' GLY . 87.9 mmm -138.85 167.73 21.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.282 -177.711 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -84.98 157.75 20.7 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 173.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.409 ' O ' HG13 ' A' ' 106' ' ' ILE . 11.8 m -50.74 -45.24 58.66 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -175.205 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -59.93 -67.63 2.06 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 121.172 -0.537 . . . . 0.0 113.057 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -57.42 -27.31 75.38 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.781 2.321 . . . . 0.0 112.997 179.35 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.68 -50.42 64.97 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.742 -0.208 . . . . 0.0 110.741 177.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 102' ' ' THR . 78.2 mt -61.82 -37.01 77.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 120.968 0.413 . . . . 0.0 110.367 178.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -59.94 -58.44 8.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.483 178.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.1 m -60.76 -37.44 81.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.755 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.527 ' O ' HG12 ' A' ' 113' ' ' ILE . 84.7 t80 -55.42 -55.72 28.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.586 178.549 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -55.9 -38.67 70.53 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.762 -178.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 72.1 mt -65.05 -51.29 68.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.297 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 89.8 mtp -72.6 -31.9 65.55 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.592 -175.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.67 ' HA ' ' HG2' ' A' ' 117' ' ' ARG . 45.1 mm -72.0 -23.77 22.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.042 0.449 . . . . 0.0 110.456 178.654 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -68.28 -9.1 56.96 Favored Glycine 0 CA--C 1.52 0.371 0 CA-C-N 115.863 -0.608 . . . . 0.0 113.218 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -121.62 -90.62 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 177.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -103.03 -26.66 12.99 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -167.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.67 ' HG2' ' HA ' ' A' ' 113' ' ' ILE . 31.6 mtm-85 62.01 76.5 0.36 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.091 0.472 . . . . 0.0 111.375 -176.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 23.9 mtp180 -111.83 24.37 12.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.371 0.605 . . . . 0.0 109.807 176.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.459 ' HA ' ' O ' ' A' ' 70' ' ' THR . 7.1 p -136.55 135.05 49.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.083 -174.21 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -104.09 142.77 33.89 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 172.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.541 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -116.21 124.31 49.95 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.947 0.404 . . . . 0.0 111.578 -175.729 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -108.66 96.95 6.69 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 174.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.5 mt -101.98 114.37 28.42 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.347 -174.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 49.4 mt -100.03 146.3 9.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.68 177.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -73.17 165.26 25.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.974 0.416 . . . . 0.0 111.169 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 35.0 m -85.94 144.58 39.39 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.2 -178.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.61 108.71 1.09 Allowed 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.821 2.347 . . . . 0.0 111.831 178.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 92.6 mt -85.99 127.6 34.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.424 -175.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -120.93 174.5 6.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.324 172.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -139.12 107.32 5.76 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.198 0.523 . . . . 0.0 110.527 176.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -166.05 80.27 0.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.878 177.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -130.67 56.46 1.77 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.15 178.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.548 ' HB3' ' H ' ' A' ' 134' ' ' HIS . 31.6 m-70 -148.86 -149.96 0.32 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.859 0.361 . . . . 0.0 111.811 -176.689 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.548 ' H ' ' HB3' ' A' ' 133' ' ' HIS . 20.1 t-160 77.5 -85.26 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.575 1.15 . . . . 0.0 111.798 178.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 . . . . . 0 C--O 1.242 0.707 0 CA-C-O 118.629 -0.701 . . . . 0.0 110.277 -174.136 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.4 mtt . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.38 -82.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -176.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -96.53 5.18 51.32 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -170.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -103.07 -5.56 23.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.074 0.464 . . . . 0.0 110.62 174.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.7 m -101.02 87.28 3.23 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.589 0.709 . . . . 0.0 109.635 176.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -161.72 -53.24 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.926 -1.034 . . . . 0.0 108.934 -176.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.6 mt 67.65 90.35 0.09 OUTLIER Pre-proline 0 CA--C 1.532 0.259 0 CA-C-N 114.871 -1.059 . . . . 0.0 111.409 176.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -88.33 39.78 0.53 Allowed 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 123.035 2.49 . . . . 0.0 110.976 174.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -105.06 101.12 10.69 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.162 -173.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.427 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 91.8 m-85 -99.45 140.23 21.48 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.377 -175.068 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 10' ' ' PHE . 60.5 Cg_endo -91.07 135.79 1.91 Allowed 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 123.243 2.629 . . . . 0.0 111.948 175.553 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 46.61 85.58 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.375 0.607 . . . . 0.0 111.555 -176.043 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.49 ' HB ' HG21 ' A' ' 42' ' ' VAL . 27.1 m -122.92 106.51 10.93 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.695 -179.442 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -113.31 19.38 17.06 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.101 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.49 117.75 31.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.839 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.451 HD12 HG23 ' A' ' 106' ' ' ILE . 62.1 mt -120.24 130.7 74.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.993 178.446 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -148.09 154.99 40.93 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 -177.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 58.42 91.61 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.952 0.782 . . . . 0.0 112.564 177.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -115.01 128.26 56.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.59 178.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 126.62 -77.82 0.39 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.548 176.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -68.92 99.31 1.04 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.826 0.345 . . . . 0.0 110.36 -178.182 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.4 18.44 60.48 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.077 -178.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.9 -103.33 2.45 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.133 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -121.52 116.43 24.66 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 178.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -106.48 93.65 4.71 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.242 0.544 . . . . 0.0 110.384 179.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -128.43 115.14 17.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.814 -178.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 63.86 -77.95 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.217 -0.901 . . . . 0.0 112.808 175.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.54 -72.52 0.98 Allowed Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.25 -0.5 . . . . 0.0 113.367 -173.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 23.8 ptp -147.77 172.14 14.58 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 122.742 -0.27 . . . . 0.0 110.924 -175.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.7 m -81.6 108.79 15.46 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 174.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -92.72 103.79 16.13 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.681 -0.407 . . . . 0.0 111.374 -176.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.93 113.94 16.32 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 172.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.592 ' HA2' HG22 ' A' ' 48' ' ' THR . . . 142.26 -176.03 22.43 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.827 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.568 ' HB3' ' O ' ' A' ' 45' ' ' TRP . 27.8 t -92.03 140.68 29.41 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.166 0.507 . . . . 0.0 110.575 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 97.9 mt -115.55 127.36 55.21 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.012 178.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.703 ' HB2' ' HB2' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -101.54 96.15 6.93 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.117 0.484 . . . . 0.0 109.698 -178.879 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.411 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 89.2 m-85 -78.38 93.87 4.78 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.466 177.163 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.3 mt -76.6 158.53 80.92 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.821 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.476 ' HB3' ' H ' ' A' ' 118' ' ' ARG . 17.3 Cg_exo -69.58 44.18 0.39 Allowed 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 123.286 2.657 . . . . 0.0 113.351 -178.142 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -168.67 -55.88 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -138.83 164.36 29.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.975 -178.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.49 HG21 ' HB ' ' A' ' 13' ' ' THR . 41.4 t -91.06 118.28 35.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.472 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 37.6 m95 -115.83 176.19 5.2 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.003 0.43 . . . . 0.0 110.692 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -105.76 145.98 16.01 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.9 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.703 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 11.5 t90 -134.23 112.61 11.21 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -83.28 75.25 9.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.279 0.562 . . . . 0.0 111.058 -174.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 85.7 t -138.94 90.44 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 170.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.592 HG22 ' HA2' ' A' ' 33' ' ' GLY . 1.9 p -84.87 -20.4 30.87 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.572 -175.747 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -121.47 115.55 31.11 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 120.844 0.354 . . . . 0.0 110.161 178.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -58.01 -24.09 63.73 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.763 2.975 . . . . 0.0 114.238 -172.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -67.41 -17.09 64.58 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.775 0.322 . . . . 0.0 111.496 -178.057 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 41.1 tp60 -97.21 15.16 23.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.09 0.471 . . . . 0.0 111.01 -176.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.447 HG22 HD21 ' A' ' 86' ' ' LEU . 70.3 mt -69.51 122.47 21.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 174.56 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -149.63 168.69 22.87 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 -176.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' A' ' 55' ' ' ARG . 50.1 mtm180 -57.94 -33.75 69.15 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.761 0.315 . . . . 0.0 110.748 178.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -62.63 -45.07 94.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.689 176.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.4 m -72.01 -30.13 64.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.101 0.477 . . . . 0.0 110.54 179.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.9 mt -86.9 5.01 39.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.411 -178.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -58.07 -34.18 69.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.198 0.523 . . . . 0.0 110.376 179.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -69.36 -20.41 63.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.225 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.1 t -90.88 -45.16 14.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.323 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -55.82 -36.79 67.85 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.203 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -63.08 -26.02 68.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.471 -177.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -119.23 29.37 7.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.896 -176.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.51 -31.23 69.19 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 112.242 -176.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -63.24 -34.42 77.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.186 0.517 . . . . 0.0 111.101 178.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.59 -23.79 23.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.979 -178.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.9 mt -102.07 99.11 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.286 -176.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.489 ' HB2' ' CZ ' ' A' ' 118' ' ' ARG . 6.5 t70 -87.5 -54.58 4.2 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.117 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.6 m -106.47 119.72 40.02 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.606 -178.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.9 tp -112.31 106.81 15.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.319 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 59.6 mt -94.83 125.12 47.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.775 178.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 79.0 t -112.82 130.35 66.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.486 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -111.62 100.62 1.21 Allowed Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.484 -0.646 . . . . 0.0 111.484 177.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.8 p -71.48 -42.47 68.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.029 0.442 . . . . 0.0 111.792 -176.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.22 -59.59 1.38 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.695 -0.764 . . . . 0.0 113.015 175.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.18 -67.64 0.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.911 0.386 . . . . 0.0 110.844 -178.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -150.61 172.49 15.44 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 175.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 44.7 t -73.76 93.41 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.137 0.494 . . . . 0.0 110.345 -179.102 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 81.2 t90 -88.17 112.43 22.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.734 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 47.7 mt -93.03 116.21 33.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.444 -177.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.29 148.73 95.58 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.238 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.95 152.39 29.6 Favored 'Trans proline' 0 C--O 1.239 0.543 0 C-N-CA 123.009 2.473 . . . . 0.0 112.58 177.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -61.47 -41.6 97.49 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.429 -175.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -51.99 -45.84 64.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.038 0.447 . . . . 0.0 110.807 -178.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.447 HD21 HG22 ' A' ' 53' ' ' ILE . 52.8 tp -73.15 -47.03 47.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.988 -178.594 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.491 ' HG3' HD23 ' A' ' 97' ' ' LEU . 62.2 ttt180 -66.94 -39.48 87.33 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.059 0.457 . . . . 0.0 111.106 -176.284 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -71.85 -30.97 66.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.536 -178.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.98 -41.61 99.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.948 0.404 . . . . 0.0 110.216 176.234 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.47 -48.17 78.78 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.931 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 59.5 ttp85 -74.64 -20.94 59.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.698 -177.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -68.35 -23.04 75.0 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.142 -0.552 . . . . 0.0 111.737 175.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 46.4 t -86.33 -80.0 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 173.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -175.45 21.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.354 176.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 47.4 t -110.44 116.29 51.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.869 0.366 . . . . 0.0 110.932 -174.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 65.7 t -87.11 110.39 20.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.198 177.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.491 HD23 ' HG3' ' A' ' 87' ' ' ARG . 48.4 tp -85.71 107.21 17.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.606 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -108.72 101.48 10.6 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.4 m -102.51 119.24 38.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.575 -173.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 70.7 mtm -138.89 -172.37 3.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.747 178.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -81.56 160.58 23.82 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 173.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.431 ' O ' HG13 ' A' ' 106' ' ' ILE . 3.1 m -57.58 -39.46 76.83 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 -175.148 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -53.26 -69.05 1.33 Allowed Glycine 0 CA--C 1.522 0.514 0 C-N-CA 121.228 -0.51 . . . . 0.0 113.031 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -57.71 -32.57 95.0 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.856 2.371 . . . . 0.0 112.646 177.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.64 -48.8 77.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.65 0.262 . . . . 0.0 110.846 178.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.451 HG23 HD12 ' A' ' 16' ' ' ILE . 81.4 mt -57.94 -48.7 83.39 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.135 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.239 177.317 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 107' ' ' ARG . 42.9 ttt-85 -56.61 -51.2 69.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.027 -179.399 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.5 m -61.96 -46.18 90.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.169 -178.005 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -66.95 -45.72 76.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.926 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -57.98 -31.54 67.01 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.049 -176.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 79.5 mt -84.12 -53.09 11.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 177.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.538 ' HA ' ' OE1' ' A' ' 115' ' ' GLU . 38.5 ttp -72.21 -15.99 61.95 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -170.637 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 11.1 tp -74.61 -17.75 16.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.254 0.55 . . . . 0.0 109.641 174.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -72.24 -18.84 78.32 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.736 177.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.538 ' OE1' ' HA ' ' A' ' 112' ' ' MET . 0.4 OUTLIER -63.73 -69.71 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 175.676 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.544 ' HG3' ' H ' ' A' ' 117' ' ' ARG . 7.3 ptp180 -163.96 -74.35 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 176.612 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.544 ' H ' ' HG3' ' A' ' 116' ' ' ARG . 15.0 ptm180 178.86 -166.04 0.06 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 117.737 0.244 . . . . 0.0 111.157 -175.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.557 ' HG3' ' O ' ' A' ' 118' ' ' ARG . 0.0 OUTLIER 75.28 15.94 2.78 Favored 'General case' 0 C--O 1.245 0.822 0 CA-C-O 123.161 1.458 . . . . 0.0 110.873 -179.737 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 5.4 p -117.38 132.61 66.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-N 113.419 -1.719 . . . . 0.0 108.757 171.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -118.17 147.53 43.26 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.241 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.411 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -127.62 114.71 17.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.946 0.403 . . . . 0.0 110.99 -178.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -97.04 95.17 7.61 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 174.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 79.4 mt -98.33 107.84 20.4 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.553 -176.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 60.8 mt -90.02 117.76 33.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.238 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.427 ' HB3' ' H ' ' A' ' 33' ' ' GLY . . . -80.77 128.02 33.18 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 172.035 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 15.4 m -64.32 122.74 79.75 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-O 120.939 0.4 . . . . 0.0 110.715 -178.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -64.86 95.88 0.25 Allowed 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.597 2.198 . . . . 0.0 112.265 -177.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 7.2 tt -78.4 89.73 4.4 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 175.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -117.26 -30.45 5.6 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.153 -173.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -126.57 -173.51 2.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.918 0.39 . . . . 0.0 110.325 -178.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -121.35 171.07 9.02 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 176.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -96.72 -38.55 9.86 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.834 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 67.9 t60 70.5 -61.26 0.47 Allowed 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.243 0.617 . . . . 0.0 111.118 178.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 48.2 p-80 -145.0 -30.48 0.44 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.821 0.343 . . . . 0.0 110.34 174.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 . . . . . 0 C--O 1.243 0.754 0 CA-C-O 118.507 -0.759 . . . . 0.0 109.839 178.012 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ttt . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 120.783 0.325 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.08 142.08 28.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.903 -177.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.1 mp0 -91.09 94.51 9.64 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.015 0.436 . . . . 0.0 110.298 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -106.82 101.82 11.23 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 177.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.4 t -102.92 17.25 24.44 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.267 -174.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -112.75 51.12 0.84 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.192 0.52 . . . . 0.0 110.907 -176.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.5 pt -128.67 79.32 74.57 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-O 121.203 0.525 . . . . 0.0 111.056 176.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -77.52 -71.23 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.667 2.245 . . . . 0.0 111.273 176.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -147.14 128.86 15.2 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.675 ' HZ ' ' HA3' ' A' ' 28' ' ' GLY . 84.4 m-85 -63.43 111.92 6.06 Favored Pre-proline 0 N--CA 1.465 0.3 0 O-C-N 123.601 0.563 . . . . 0.0 112.137 -173.171 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -97.38 105.79 0.08 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 123.651 2.901 . . . . 0.0 112.069 176.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 47.0 ttp180 62.6 92.23 0.06 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.406 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.7 m -102.27 144.64 30.52 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 177.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.8 -64.95 1.14 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.776 0.322 . . . . 0.0 111.195 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.9 155.01 16.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.995 0.426 . . . . 0.0 111.187 -176.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.4 mt -119.73 138.16 51.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.763 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.546 ' HB2' ' HA ' ' A' ' 26' ' ' PHE . 55.2 m-20 -64.99 -55.71 17.46 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 123.195 0.309 . . . . 0.0 111.49 -177.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.45 151.01 33.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.716 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -149.18 165.62 31.3 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.95 -102.76 1.42 Allowed Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.896 177.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.11 130.72 42.87 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 176.605 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.432 ' O ' ' HA ' ' A' ' 31' ' ' HIS . . . 79.53 -4.8 62.77 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.932 -0.652 . . . . 0.0 112.088 -174.355 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.43 -142.6 18.11 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 121.103 -0.57 . . . . 0.0 112.017 -178.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.47 ' HB2' ' HB2' ' A' ' 32' ' ' GLN . 94.0 m-85 -84.35 107.36 16.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.932 0.396 . . . . 0.0 110.289 176.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -113.67 93.65 4.48 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.994 -177.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.546 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 43.0 p90 -134.24 171.37 14.35 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.385 -178.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.4 102.79 0.57 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.059 0.457 . . . . 0.0 110.926 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.675 ' HA3' ' HZ ' ' A' ' 10' ' ' PHE . . . 151.28 -64.55 0.38 Allowed Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.933 -179.153 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 64.8 mtt -141.55 150.97 42.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.648 0.261 . . . . 0.0 110.434 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.4 p -117.01 158.74 23.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -177.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.432 ' HA ' ' O ' ' A' ' 22' ' ' GLY . 34.3 t60 58.91 78.59 0.25 Allowed 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.658 0.599 . . . . 0.0 111.182 176.655 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.47 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 43.0 mt-30 -135.26 136.34 41.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.04 -179.232 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.36 -42.22 1.65 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.858 -175.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.446 ' HB3' ' HB3' ' A' ' 45' ' ' TRP . 10.7 m -132.58 118.17 18.87 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.671 0.272 . . . . 0.0 110.817 -176.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 92.8 mt -126.67 136.04 51.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.985 0.421 . . . . 0.0 111.001 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.486 ' HG ' ' HB2' ' A' ' 45' ' ' TRP . 97.9 mt -101.87 101.66 12.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.789 177.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.475 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 90.1 m-85 -85.48 104.65 15.46 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.194 -179.541 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.0 mt -102.63 156.85 34.76 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.7 177.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -53.4 -26.94 37.49 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.113 2.542 . . . . 0.0 113.392 -177.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -95.46 -56.81 2.58 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.674 0.273 . . . . 0.0 111.487 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -147.02 169.61 18.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.803 0.335 . . . . 0.0 111.278 -175.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.7 t -103.56 132.3 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.725 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.459 ' HB3' HH11 ' A' ' 60' ' ' ARG . 76.7 m95 -113.87 164.51 13.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.276 178.109 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -98.15 134.33 11.68 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.535 177.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.486 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 4.3 t90 -102.63 144.87 30.48 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 -177.596 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -100.71 15.92 26.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.764 0.792 . . . . 0.0 110.65 -175.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.1 t -120.14 101.67 11.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.823 178.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.0 m -107.77 12.99 26.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.542 0.687 . . . . 0.0 110.86 -176.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.1 mttp -139.76 143.16 33.78 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.63 176.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.406 ' O ' ' HB2' ' A' ' 51' ' ' GLU . 33.4 Cg_endo -64.78 174.85 4.15 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.647 2.231 . . . . 0.0 111.33 175.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 50' ' ' PRO . 35.7 mt-10 74.09 -37.44 0.37 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.05 0.54 . . . . 0.0 111.496 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -74.61 -15.38 60.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.148 0.499 . . . . 0.0 110.589 178.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 54.3 mt -69.66 114.95 7.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.75 -179.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.94 -177.63 5.53 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.418 ' HG3' ' CE2' ' A' ' 62' ' ' PHE . 19.9 ttt180 -62.89 -38.13 89.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.533 0.206 . . . . 0.0 111.128 -179.039 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -64.07 -43.04 96.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.99 0.424 . . . . 0.0 110.7 -177.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.5 p -77.09 -13.61 59.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.207 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 86.6 mt -104.99 10.91 33.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.679 178.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -60.59 -29.04 68.95 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -178.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.459 HH11 ' HB3' ' A' ' 43' ' ' TRP . 32.8 ttm180 -69.63 -28.19 65.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.116 0.484 . . . . 0.0 109.813 176.567 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 63.5 t -78.04 -42.67 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.897 178.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.418 ' CE2' ' HG3' ' A' ' 55' ' ' ARG . 60.5 m-85 -62.89 -32.46 73.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 176.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -69.6 -33.89 73.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.051 0.453 . . . . 0.0 110.799 178.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -103.73 17.8 23.32 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.899 -178.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.34 -21.78 65.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.548 -176.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -59.4 -27.06 65.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.802 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -101.95 3.99 39.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.3 mt -116.57 110.17 30.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.239 0.542 . . . . 0.0 110.942 -176.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -98.44 -46.16 5.87 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.277 173.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.9 m -116.76 133.79 55.58 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.913 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 64.5 tp -123.87 111.32 15.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.974 0.416 . . . . 0.0 110.496 -179.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 66.6 mt -97.35 126.15 50.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.531 178.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.53 HG22 ' HB3' ' A' ' 122' ' ' ALA . 93.4 t -120.26 122.23 67.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.985 0.422 . . . . 0.0 110.996 -177.227 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -103.0 102.91 2.31 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 175.218 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.57 HG21 ' HB3' ' A' ' 80' ' ' TRP . 7.3 p -87.74 25.13 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -173.014 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 98.55 -123.7 7.96 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.997 175.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.47 -27.33 22.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.852 0.358 . . . . 0.0 111.308 -175.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -121.86 165.22 16.24 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.276 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.765 HG22 ' HA ' ' A' ' 100' ' ' MET . 58.9 t -94.85 104.12 15.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.118 178.188 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.57 ' HB3' HG21 ' A' ' 75' ' ' THR . 70.2 t90 -80.16 119.97 23.65 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 176.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.6 mm -87.26 115.48 27.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.023 -178.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.9 136.56 95.07 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.717 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -56.22 151.56 42.99 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.855 2.37 . . . . 0.0 112.109 178.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 84' ' ' ARG . 11.2 ttp180 -48.86 -43.6 38.95 Favored 'General case' 0 N--CA 1.463 0.219 0 O-C-N 123.474 0.484 . . . . 0.0 111.557 -178.433 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -53.98 -50.67 66.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.228 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.2 tp -77.03 -39.68 49.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.754 -177.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -59.73 -47.75 84.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.337 -178.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -73.82 -31.53 63.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.777 -177.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.14 -45.92 89.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.721 0.296 . . . . 0.0 110.718 176.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.74 -46.67 84.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.752 178.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 67.4 ttt-85 -63.64 -35.65 81.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.999 0.428 . . . . 0.0 110.654 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -63.09 -28.25 71.83 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.616 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.7 HG13 HG23 ' A' ' 95' ' ' VAL . 7.2 p -98.29 21.52 1.43 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 CA-C-O 121.526 0.679 . . . . 0.0 109.995 179.06 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.424 ' HB3' ' O ' ' A' ' 93' ' ' VAL . 9.6 t30 79.97 -7.03 1.71 Allowed 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 115.114 -0.948 . . . . 0.0 112.101 172.593 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.7 HG23 HG13 ' A' ' 93' ' ' VAL . 81.1 t -70.86 105.77 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.236 0.541 . . . . 0.0 110.825 -176.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.1 t -74.8 100.54 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.027 177.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 59.8 tp -79.59 125.95 30.26 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.603 -179.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -128.72 117.5 21.25 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 175.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.1 134.22 55.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.64 -169.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.765 ' HA ' HG22 ' A' ' 79' ' ' VAL . 1.4 pmm? -166.02 -171.58 2.05 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.386 176.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -62.67 150.89 39.74 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.322 174.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.564 ' O ' HG13 ' A' ' 106' ' ' ILE . 6.5 m -55.91 -44.56 78.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.936 -176.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.07 -64.61 4.23 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 121.203 -0.522 . . . . 0.0 113.038 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -51.78 -38.98 68.14 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.691 2.261 . . . . 0.0 112.531 175.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.36 -43.41 92.85 Favored 'General case' 0 C--O 1.232 0.169 0 O-C-N 123.356 0.41 . . . . 0.0 111.338 -179.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.564 HG13 ' O ' ' A' ' 102' ' ' THR . 71.4 mt -61.48 -40.37 86.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.111 0.481 . . . . 0.0 109.974 177.481 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.443 ' HA ' ' HD2' ' A' ' 107' ' ' ARG . 16.6 tpt180 -63.71 -48.1 78.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.925 -177.663 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.584 ' O ' ' HG2' ' A' ' 112' ' ' MET . 0.1 OUTLIER -63.88 -38.92 92.87 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.618 0.247 . . . . 0.0 111.091 178.292 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.537 ' O ' HG12 ' A' ' 113' ' ' ILE . 44.2 t80 -56.56 -40.73 75.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.571 178.176 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -63.91 -41.07 97.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.644 177.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 107' ' ' ARG . 58.2 mt -65.33 -46.01 91.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.048 -179.2 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.584 ' HG2' ' O ' ' A' ' 108' ' ' THR . 97.2 mmm -59.7 -32.33 70.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.855 -175.073 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.537 HG12 ' O ' ' A' ' 109' ' ' TYR . 48.3 mm -54.38 -32.36 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-O 121.007 0.432 . . . . 0.0 111.183 -179.188 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -115.12 39.45 2.77 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.509 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -156.54 -44.62 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.017 0.437 . . . . 0.0 110.937 178.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 116' ' ' ARG . 17.7 ttm-85 -148.03 86.36 1.57 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 177.622 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -64.05 179.72 0.51 Allowed 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 114.52 -1.218 . . . . 0.0 110.6 175.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 3.3 mpp_? 69.2 29.26 4.69 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.855 0.836 . . . . 0.0 108.891 -169.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 7.1 p -104.18 133.05 49.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.769 178.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -117.26 154.68 30.76 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.913 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.475 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -128.47 114.73 17.15 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.985 0.421 . . . . 0.0 111.336 -178.565 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.53 ' HB3' HG22 ' A' ' 73' ' ' VAL . . . -95.01 96.52 9.32 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 173.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 94.7 mt -108.28 122.6 47.3 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.14 0.495 . . . . 0.0 111.612 -172.05 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 57.3 mt -104.59 134.65 45.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.239 -0.891 . . . . 0.0 108.792 172.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.62 143.94 56.77 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.916 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 58.3 t -64.52 122.58 79.28 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.022 178.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -50.7 144.07 27.15 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 123.06 2.507 . . . . 0.0 112.42 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.539 ' HB3' ' O ' ' A' ' 131' ' ' HIS . 7.8 mp -78.79 84.53 4.85 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.143 -179.548 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -83.55 -45.8 13.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.896 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -91.66 -13.3 32.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.423 -174.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.539 ' O ' ' HB3' ' A' ' 128' ' ' LEU . 45.2 m-70 -119.79 85.02 2.3 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 177.127 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -126.84 96.13 4.54 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.44 0.638 . . . . 0.0 111.594 -176.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 9.3 p80 177.95 29.51 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.745 -1.116 . . . . 0.0 108.546 175.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 33.0 t-80 -96.75 117.78 31.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.714 -170.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 7.1 t60 . . . . . 0 C--O 1.248 1.005 0 CA-C-N 115.333 -0.849 . . . . 0.0 108.724 171.308 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptt? . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 120.656 0.265 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -122.53 -85.98 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 121.218 -0.193 . . . . 0.0 110.538 178.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.418 ' HA ' ' OE1' ' A' ' 3' ' ' GLN . 15.4 mm-40 56.3 36.74 28.0 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.138 0.494 . . . . 0.0 111.206 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -99.38 -22.0 15.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.681 0.753 . . . . 0.0 109.237 178.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.1 t -135.28 110.27 8.82 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 114.803 -1.09 . . . . 0.0 109.644 177.21 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.84 21.48 17.18 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.961 178.767 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.6 mt 63.41 91.94 0.07 OUTLIER Pre-proline 0 C--O 1.233 0.229 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.853 -175.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.597 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . 51.5 Cg_exo -54.25 144.82 58.18 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 123.38 2.72 . . . . 0.0 113.143 -173.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -57.85 -40.17 79.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.686 176.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.439 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 98.3 m-85 -129.26 139.82 36.81 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.453 178.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 10' ' ' PHE . 3.0 Cg_exo -76.02 63.47 6.83 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 123.027 2.485 . . . . 0.0 111.911 179.425 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.687 ' HG2' ' HA ' ' A' ' 40' ' ' ASP . 99.9 mtt180 54.76 74.46 0.35 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.46 0.648 . . . . 0.0 110.708 -177.526 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.8 m -113.66 103.8 11.6 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.892 -176.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -105.86 83.92 1.99 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.692 176.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -151.34 120.97 6.95 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 -177.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.8 mt -103.16 112.46 36.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 176.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.568 ' HB2' ' HA ' ' A' ' 26' ' ' PHE . 23.0 m-20 -80.84 -68.75 0.66 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.437 -176.199 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.433 ' HB3' ' HB3' ' A' ' 25' ' ' TYR . . . -126.15 144.66 50.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.182 0.515 . . . . 0.0 111.501 -178.216 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -140.9 136.34 32.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.779 175.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 133.2 -58.67 0.69 Allowed Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.265 175.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.442 ' HE3' ' HB2' ' A' ' 21' ' ' LYS . 36.6 ttmt -84.51 114.15 21.74 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 120.901 0.381 . . . . 0.0 110.415 -178.601 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.97 48.24 74.53 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.474 -178.067 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.74 -131.55 10.83 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.784 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -100.52 150.7 22.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.899 0.38 . . . . 0.0 110.773 178.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.566 ' HD1' ' HA ' ' A' ' 30' ' ' SER . 62.3 t80 -142.17 117.89 10.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.788 174.252 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.568 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 26.6 p90 -142.6 171.99 13.31 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 177.125 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.57 90.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.16 0.505 . . . . 0.0 111.327 178.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 149.46 -43.16 0.78 Allowed Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.959 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.507 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . 24.3 mmt -135.53 127.53 29.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.007 0.432 . . . . 0.0 110.407 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.566 ' HA ' ' HD1' ' A' ' 25' ' ' TYR . 37.3 p -106.47 112.43 25.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.217 -177.736 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 69.05 90.79 0.09 Allowed 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.888 0.743 . . . . 0.0 112.082 176.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -143.1 138.0 29.55 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.017 173.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.518 ' HA3' HG23 ' A' ' 48' ' ' THR . . . -90.22 1.64 80.15 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.959 -177.58 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.481 ' HB2' ' HB2' ' A' ' 45' ' ' TRP . 8.5 p -157.33 117.23 3.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.92 0.391 . . . . 0.0 111.492 -178.497 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 97.0 mt -130.58 146.14 52.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.052 -178.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.5 mt -113.08 96.88 6.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.42 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.427 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 86.4 m-85 -83.82 93.49 7.99 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.024 179.099 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.474 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 82.7 mt -90.63 160.47 38.77 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.644 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -53.15 -31.73 56.32 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.089 2.526 . . . . 0.0 113.919 -176.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.687 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 6.2 m-20 -105.07 -46.8 4.16 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -178.133 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.597 ' HB2' ' HB3' ' A' ' 8' ' ' PRO . . . -137.96 153.33 49.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.145 0.498 . . . . 0.0 111.748 -175.411 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.7 t -94.88 122.68 46.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.064 177.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 20.3 m95 -107.76 178.47 4.52 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.92 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -132.03 150.72 19.65 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.215 -0.993 . . . . 0.0 112.847 -176.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.481 ' HB2' ' HB2' ' A' ' 34' ' ' SER . 1.4 m0 -110.7 -166.4 1.08 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -140.31 22.36 2.38 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 171.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.481 ' O ' ' HB3' ' A' ' 34' ' ' SER . 45.2 t -101.6 91.69 2.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 114.639 -1.164 . . . . 0.0 110.163 -175.283 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.518 HG23 ' HA3' ' A' ' 33' ' ' GLY . 8.5 m -95.68 -14.14 23.68 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.292 0.568 . . . . 0.0 110.753 -177.455 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.436 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 46.7 mtmt -103.4 125.03 36.14 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.077 177.315 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 49' ' ' LYS . 34.2 Cg_exo -60.62 173.42 2.14 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 123.172 2.581 . . . . 0.0 112.586 179.645 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.41 ' HB3' ' O ' ' A' ' 50' ' ' PRO . 44.0 tt0 74.37 -29.51 0.2 Allowed 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.443 0.697 . . . . 0.0 111.83 -179.375 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -78.05 22.31 0.3 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.958 0.409 . . . . 0.0 111.62 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.1 mt -81.8 78.64 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 175.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -101.62 168.83 9.23 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.858 -177.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 -58.64 -30.51 67.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.978 0.418 . . . . 0.0 110.079 177.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -61.95 -30.33 70.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.064 177.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.7 t -92.06 -24.37 19.19 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.162 0.506 . . . . 0.0 110.053 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.6 mt -86.8 15.1 6.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.576 -177.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.412 ' HA ' ' OE1' ' A' ' 59' ' ' GLN . 13.2 mm-40 -59.88 -38.59 82.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.754 0.311 . . . . 0.0 110.622 179.102 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 60' ' ' ARG . 58.9 mtt85 -69.79 -11.39 60.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.141 177.673 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.5 t -94.97 -45.84 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.236 178.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -66.6 -34.86 78.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.885 0.374 . . . . 0.0 110.902 178.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -66.7 -25.82 66.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.683 178.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -116.51 27.32 9.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.479 -178.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.58 -26.7 68.81 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.768 -176.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -87.8 5.71 38.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.994 0.426 . . . . 0.0 111.129 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -120.02 -0.68 10.53 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.754 178.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 71.7 mt -130.39 128.84 64.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.566 -177.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.495 ' HB3' ' HB2' ' A' ' 118' ' ' ARG . 7.6 t70 -102.11 -57.69 2.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.128 0.49 . . . . 0.0 109.937 176.297 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 43.0 m -112.64 132.08 55.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.276 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.0 tp -117.36 113.47 22.16 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.807 0.337 . . . . 0.0 110.178 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 66.5 mt -96.98 115.72 37.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.925 178.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 89.0 t -100.11 119.82 48.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.528 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.476 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -91.28 117.16 5.11 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 178.098 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.515 HG21 ' HB3' ' A' ' 80' ' ' TRP . 0.8 OUTLIER -97.48 -1.03 45.03 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.108 0.48 . . . . 0.0 111.716 -177.31 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.418 ' HA2' ' OG1' ' A' ' 102' ' ' THR . . . 79.23 -106.28 2.37 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.961 -0.637 . . . . 0.0 113.834 173.285 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -85.38 -26.43 26.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -170.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.513 ' O ' ' HB ' ' A' ' 75' ' ' THR . 2.8 m-20 -134.19 131.81 39.03 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.416 -179.49 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.423 ' HB ' ' HG3' ' A' ' 101' ' ' GLN . 6.3 p -80.83 97.38 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 122.084 0.945 . . . . 0.0 110.677 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.541 ' O ' HG21 ' A' ' 99' ' ' THR . 79.4 t90 -79.46 116.07 19.46 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.274 176.062 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 7.9 tp -87.1 123.16 39.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.314 0.578 . . . . 0.0 110.273 -177.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.07 131.0 89.2 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.731 -179.214 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -75.1 170.93 19.3 Favored 'Trans proline' 0 C--O 1.237 0.472 0 C-N-CA 122.5 2.133 . . . . 0.0 112.598 -178.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.4 ' O ' ' HB2' ' A' ' 88' ' ' GLU . 34.5 mmm-85 -50.11 -44.7 52.25 Favored 'General case' 0 C--O 1.222 -0.395 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.833 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -49.85 -53.84 23.09 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.011 0.434 . . . . 0.0 111.522 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 36.3 tp -72.46 -41.03 66.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.959 -176.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -69.57 -35.11 75.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.688 -176.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.545 ' OE1' ' HD3' ' A' ' 91' ' ' ARG . 3.5 tp10 -66.77 -38.43 86.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.972 178.683 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.5 -48.07 83.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.071 179.026 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.587 HD12 HD22 ' A' ' 97' ' ' LEU . 79.2 mt -73.18 -28.53 62.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.111 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.545 ' HD3' ' OE1' ' A' ' 88' ' ' GLU . 29.3 ttt180 -61.69 -36.34 80.61 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.989 0.423 . . . . 0.0 110.108 174.492 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -68.09 -11.94 62.01 Favored Glycine 0 CA--C 1.52 0.366 0 CA-C-N 115.817 -0.629 . . . . 0.0 113.13 -178.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.489 HG23 HG23 ' A' ' 95' ' ' VAL . 16.6 m -119.14 14.01 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 117.01 0.405 . . . . 0.0 111.29 177.714 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 69.26 22.11 6.81 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 175.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.489 HG23 HG23 ' A' ' 93' ' ' VAL . 96.6 t -95.34 114.77 32.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.047 0.451 . . . . 0.0 110.318 178.786 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 42.7 t -76.25 106.5 6.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.094 179.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.587 HD22 HD12 ' A' ' 90' ' ' LEU . 65.1 tp -88.46 118.18 27.91 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.359 -177.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -126.47 125.91 42.88 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 174.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.541 HG21 ' O ' ' A' ' 80' ' ' TRP . 5.1 m -104.9 125.92 51.42 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.308 -179.392 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.476 ' O ' ' HA2' ' A' ' 74' ' ' GLY . 45.8 tpp -139.5 156.59 46.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.748 -174.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.423 ' HG3' ' HB ' ' A' ' 79' ' ' VAL . 44.5 mt-30 -83.2 167.6 17.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.877 177.555 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.444 ' O ' HG13 ' A' ' 106' ' ' ILE . 7.8 m -44.17 -64.47 0.67 Allowed 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -170.678 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -52.86 -67.91 1.87 Allowed Glycine 0 C--N 1.333 0.382 0 C-N-CA 121.453 -0.403 . . . . 0.0 113.621 -173.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -56.12 -29.81 76.43 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.722 2.281 . . . . 0.0 112.903 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.0 -48.62 73.3 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.549 0.214 . . . . 0.0 110.928 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 102' ' ' THR . 69.9 mt -59.75 -44.13 93.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.706 -179.17 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 18.8 mtm180 -62.26 -51.53 67.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.585 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 27.0 m -62.49 -41.08 98.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.231 -176.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.403 ' CD1' ' HB2' ' A' ' 121' ' ' ALA . 64.5 t80 -61.17 -53.45 56.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.073 -179.603 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -57.7 -42.57 84.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.784 0.326 . . . . 0.0 111.376 -177.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 83.0 mt -70.26 -45.07 76.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.002 -178.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.681 ' HB3' HG11 ' A' ' 119' ' ' VAL . 35.0 tpp -66.68 -31.41 72.06 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.951 0.405 . . . . 0.0 110.64 -177.334 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.9 mm -69.29 -41.85 81.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.29 173.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -60.61 -42.5 99.25 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.274 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -81.69 -3.88 54.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.908 0.385 . . . . 0.0 110.867 178.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 55.29 48.98 18.05 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.003 174.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.56 ' HD3' ' SD ' ' A' ' 112' ' ' MET . 44.7 mtp85 -92.5 33.91 1.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.555 -178.428 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.495 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 48.7 mtm-85 59.48 47.01 11.53 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.789 171.401 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.681 HG11 ' HB3' ' A' ' 112' ' ' MET . 10.7 p -106.39 146.9 12.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.895 0.379 . . . . 0.0 111.426 -175.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -130.38 154.33 47.8 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 173.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.427 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -121.84 128.99 52.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.201 0.524 . . . . 0.0 111.91 -176.412 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -110.89 99.15 8.1 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 173.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 91.0 mt -103.91 120.78 41.73 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.977 0.418 . . . . 0.0 111.651 -171.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 65.1 mt -108.53 139.5 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.425 175.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -102.49 178.07 4.69 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.951 0.405 . . . . 0.0 111.109 -177.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.463 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . 22.7 m -89.77 134.17 32.68 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.699 179.109 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 126' ' ' VAL . 20.8 Cg_exo -65.68 108.25 1.21 Allowed 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.684 2.256 . . . . 0.0 111.658 177.087 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 61.8 tp -80.94 104.31 11.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.682 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 72.32 -67.81 0.25 Allowed 'General case' 0 N--CA 1.464 0.227 0 O-C-N 123.863 0.727 . . . . 0.0 112.089 176.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -153.26 140.98 20.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.057 -174.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -117.83 -27.48 6.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.766 175.161 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -87.32 77.96 8.84 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.297 0.57 . . . . 0.0 110.662 179.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 -163.87 82.41 0.44 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.134 172.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -158.29 -5.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.656 -178.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 10.6 p80 . . . . . 0 C--O 1.246 0.89 0 CA-C-O 119.439 -0.315 . . . . 0.0 110.551 177.042 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.463 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 57.2 m-85 . . . . . 0 N--CA 1.455 -0.192 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.698 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 7.9 Cg_endo -87.05 101.01 0.53 Allowed 'Trans proline' 0 N--CA 1.452 -0.934 0 C-N-CA 123.218 2.612 . . . . 0.0 112.412 -174.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.424 ' O ' ' HD2' ' A' ' 12' ' ' ARG . 6.9 tmm_? 61.4 89.48 0.08 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.681 0.753 . . . . 0.0 110.858 179.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.571 HG22 ' H ' ' A' ' 15' ' ' ALA . 29.4 m -114.14 136.7 52.65 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.325 -178.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -104.33 -5.02 22.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.093 0.473 . . . . 0.0 111.023 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.571 ' H ' HG22 ' A' ' 13' ' ' THR . . . -105.57 110.1 22.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.541 -176.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 57.0 mt -108.47 137.68 39.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 173.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -142.19 150.63 41.27 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.881 -173.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 25' ' ' TYR . . . 52.89 84.57 0.05 Allowed 'General case' 0 N--CA 1.465 0.308 0 O-C-N 124.287 0.992 . . . . 0.0 112.775 174.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.448 ' OH ' HG13 ' A' ' 126' ' ' VAL . 52.7 t80 -107.54 131.61 54.15 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.364 177.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 148.79 -104.57 0.28 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.471 177.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -75.24 116.56 16.1 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.965 0.412 . . . . 0.0 110.033 -177.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.47 -1.27 62.02 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.479 -175.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.06 -113.53 4.31 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.066 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -111.57 98.18 7.26 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.497 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 83.7 t80 -92.72 93.41 8.45 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.404 0.621 . . . . 0.0 110.022 -178.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -142.69 135.41 27.99 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.336 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 60.67 83.23 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.03 0.831 . . . . 0.0 112.577 175.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.4 -69.65 2.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.828 -0.701 . . . . 0.0 114.094 170.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.2 tpt -136.23 156.64 48.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.84 0.32 . . . . 0.0 111.242 -171.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.7 m -63.27 138.73 58.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.162 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -119.78 107.41 13.15 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -116.23 175.42 5.56 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.716 0.293 . . . . 0.0 111.098 -176.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.99 -114.12 4.6 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 -176.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.488 ' OG ' ' HB3' ' A' ' 45' ' ' TRP . 7.7 p -141.88 133.08 26.31 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 175.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 97.6 mt -114.13 136.86 52.47 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.047 -176.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.589 ' HG ' ' HB2' ' A' ' 45' ' ' TRP . 97.4 mt -106.26 98.57 8.23 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.963 176.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.543 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 90.0 m-85 -78.34 96.76 5.39 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.7 mt -107.65 156.49 37.87 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.41 -177.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -57.12 -29.46 83.37 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.598 2.199 . . . . 0.0 112.097 175.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -70.92 -56.19 6.78 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.441 177.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.698 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -169.82 172.97 6.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.042 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.9 t -90.05 101.71 12.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 175.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -103.03 165.17 11.18 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.679 -176.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.03 141.51 15.56 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.101 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.589 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 6.5 t90 -100.6 153.88 19.04 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -100.29 22.69 11.15 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.326 0.584 . . . . 0.0 111.338 -172.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.454 HG13 ' HB2' ' A' ' 52' ' ' GLN . 71.5 t -102.88 129.77 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.13 177.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.6 m -93.38 -42.04 9.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.765 -174.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -139.2 163.68 44.19 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.919 -174.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -56.51 165.88 4.08 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.647 2.232 . . . . 0.0 112.305 174.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 71.29 -21.57 0.2 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.53 0.732 . . . . 0.0 112.196 -177.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.454 ' HB2' HG13 ' A' ' 47' ' ' VAL . 49.2 mt-30 -76.88 -5.92 50.36 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.114 0.483 . . . . 0.0 110.26 173.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.434 HD11 HD11 ' A' ' 124' ' ' ILE . 52.6 mt -77.8 86.79 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.548 0.69 . . . . 0.0 109.958 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -108.84 169.99 8.32 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.448 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.3 mtm-85 -59.59 -32.74 70.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.702 0.287 . . . . 0.0 110.806 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -76.67 -28.94 56.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.038 178.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.8 m -73.54 -20.42 60.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.244 0.545 . . . . 0.0 110.176 178.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.6 mt -88.61 19.76 3.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.675 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -49.81 -60.58 2.77 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.64 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -66.56 -19.56 65.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 -176.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.8 t -74.86 -52.58 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.293 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -63.55 -34.41 77.74 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.163 0.506 . . . . 0.0 110.432 176.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -59.63 -36.11 75.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.372 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -111.69 14.99 21.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.042 -177.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.3 -9.04 36.94 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -175.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -71.84 -26.65 62.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.029 0.442 . . . . 0.0 110.466 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.61 1.98 41.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.662 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.3 mt -105.51 115.23 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.851 -176.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.482 ' HB3' ' HB2' ' A' ' 118' ' ' ARG . 10.6 t70 -96.32 -47.67 5.91 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.39 175.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.417 ' HB ' HG23 ' A' ' 119' ' ' VAL . 4.9 m -117.29 133.97 55.35 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.11 178.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 55.3 tp -119.66 111.34 17.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.926 0.393 . . . . 0.0 110.199 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 61.9 mt -93.75 117.56 37.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.031 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 87.5 t -101.81 111.06 30.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.815 0.341 . . . . 0.0 110.383 177.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.422 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -96.33 108.21 3.64 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 176.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 22.1 p -84.41 7.2 20.42 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -173.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.52 -115.65 4.36 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.711 -0.757 . . . . 0.0 113.312 174.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.17 -22.24 18.57 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -172.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -127.5 155.73 43.28 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -178.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.4 t -90.83 104.42 15.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.058 0.456 . . . . 0.0 111.369 -175.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.439 ' O ' HG21 ' A' ' 99' ' ' THR . 74.8 t90 -97.9 113.82 25.74 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 174.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 7.4 tp -86.98 125.47 40.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 120.977 0.418 . . . . 0.0 110.639 -177.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.14 132.29 93.78 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.418 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.88 149.86 40.1 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.927 2.418 . . . . 0.0 112.088 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 -50.94 -49.36 59.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.93 -176.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -61.82 -46.18 90.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.567 0.222 . . . . 0.0 111.094 -177.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.57 -43.86 98.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.983 0.42 . . . . 0.0 110.673 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.668 ' HG3' HD23 ' A' ' 97' ' ' LEU . 50.8 ttt180 -64.58 -40.46 95.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.428 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -73.31 -35.06 66.02 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.256 -176.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.44 -44.07 92.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.717 177.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.796 HD12 HD22 ' A' ' 97' ' ' LEU . 89.8 mt -63.6 -35.97 82.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.616 178.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -60.88 -33.37 73.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.277 175.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -71.31 -15.97 75.15 Favored Glycine 0 N--CA 1.452 -0.248 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.542 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.41 ' O ' ' HB2' ' A' ' 94' ' ' ASN . 10.3 t -94.61 3.37 9.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 177.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 93' ' ' VAL . 45.2 m-80 71.32 17.96 5.74 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.264 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 58.1 t -92.54 117.97 37.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.391 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.8 t -73.6 100.98 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.03 178.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.796 HD22 HD12 ' A' ' 90' ' ' LEU . 40.6 tp -90.17 130.56 36.3 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.158 -178.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -137.87 133.8 34.3 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 173.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.439 HG21 ' O ' ' A' ' 80' ' ' TRP . 22.8 m -106.13 123.99 48.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.268 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.516 ' SD ' ' HB2' ' A' ' 104' ' ' PRO . 40.6 ttm -146.64 165.69 28.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.09 -174.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -77.32 149.25 35.33 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 173.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.567 ' O ' HG13 ' A' ' 106' ' ' ILE . 5.9 m -54.03 -42.29 69.0 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -171.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -55.56 -67.37 2.25 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 121.051 -0.595 . . . . 0.0 113.217 -177.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.516 ' HB2' ' SD ' ' A' ' 100' ' ' MET . 32.3 Cg_exo -59.01 -27.85 86.2 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.531 2.154 . . . . 0.0 112.059 177.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.08 -40.69 94.99 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.522 177.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.567 HG13 ' O ' ' A' ' 102' ' ' THR . 88.8 mt -59.07 -45.99 92.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.314 176.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.416 ' O ' HG13 ' A' ' 111' ' ' ILE . 83.9 mtt180 -63.6 -50.77 68.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.052 178.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.9 m -62.0 -37.61 85.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.85 0.357 . . . . 0.0 110.967 -178.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -61.76 -47.29 85.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.458 176.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -59.58 -29.1 67.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.145 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 107' ' ' ARG . 78.1 mt -77.57 -51.88 17.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.03 178.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 65.5 mtm -77.58 -20.38 54.11 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -173.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 10.1 tp -63.94 -35.27 72.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.754 0.311 . . . . 0.0 110.511 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -87.21 -23.01 42.29 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.637 -0.792 . . . . 0.0 111.758 177.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -72.08 -70.6 0.33 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.77 0.319 . . . . 0.0 110.705 -178.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.463 ' O ' ' HG3' ' A' ' 118' ' ' ARG . 2.9 ptp180 -99.21 -28.09 13.5 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -175.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.6 4.52 3.39 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 122.591 0.356 . . . . 0.0 111.666 -177.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.482 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 34.3 mtt180 -108.72 26.41 10.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.209 0.528 . . . . 0.0 110.137 -178.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.417 HG23 ' HB ' ' A' ' 70' ' ' THR . 7.2 p -105.59 132.4 52.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.984 -174.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -115.84 136.23 53.24 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.631 177.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.543 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -114.51 118.11 32.85 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.982 0.42 . . . . 0.0 111.14 -177.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -104.12 96.11 6.43 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 175.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 90.3 mt -109.09 126.23 52.97 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.065 -174.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.434 HD11 HD11 ' A' ' 53' ' ' ILE . 57.7 mt -101.5 140.29 20.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.841 177.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.28 151.73 36.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.887 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.448 HG13 ' OH ' ' A' ' 19' ' ' TYR . 22.7 m . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.612 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 . . . . . 0 CA--C 1.518 -0.252 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.495 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 88.4 Cg_exo -47.42 -55.68 3.73 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.973 2.449 . . . . 0.0 113.136 -174.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.495 ' HB2' ' O ' ' A' ' 11' ' ' PRO . 21.6 ttm180 169.25 85.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.287 -0.869 . . . . 0.0 108.675 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.4 t -143.77 127.19 16.82 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.273 0.559 . . . . 0.0 111.127 -173.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -106.44 64.54 0.66 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 173.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.46 102.52 15.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.362 -171.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.795 HG21 HD13 ' A' ' 106' ' ' ILE . 35.5 mm -112.09 99.38 8.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 173.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -62.9 -56.58 16.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.075 0.464 . . . . 0.0 109.912 -177.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -170.23 174.33 5.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.078 177.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 48.3 p90 -144.63 157.49 44.18 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.834 0.35 . . . . 0.0 110.225 176.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 148.82 108.53 0.49 Allowed Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.936 -0.65 . . . . 0.0 111.495 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.4 tttm 70.01 124.72 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.381 0.61 . . . . 0.0 110.951 -176.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.37 -73.46 1.68 Allowed Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.751 -178.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 177.08 -121.57 0.79 Allowed Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.485 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -114.06 137.74 51.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.654 0.264 . . . . 0.0 110.568 -177.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -104.18 109.24 20.98 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.157 177.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.517 ' HE1' ' HB2' ' A' ' 31' ' ' HIS . 14.4 p90 -140.86 138.02 33.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.219 -178.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 59.89 15.21 4.75 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 176.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.39 -0.41 63.58 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.388 -178.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 65.3 mtt -102.66 131.6 49.34 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.691 0.281 . . . . 0.0 110.932 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.7 m -94.92 90.98 6.19 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 174.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.517 ' HB2' ' HE1' ' A' ' 26' ' ' PHE . 25.7 t60 -89.3 110.02 20.84 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.19 -173.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -82.01 139.61 34.42 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.945 174.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.12 -123.62 6.78 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.292 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.4 p -133.76 155.42 49.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.093 0.473 . . . . 0.0 111.438 -178.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 49.4 mt -122.91 154.47 38.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.47 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 tt -128.39 97.07 4.61 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.54 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 78.6 m-85 -85.55 125.16 32.88 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.377 -178.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 71.2 mt -116.37 159.6 39.28 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.712 177.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -64.58 -17.11 58.51 Favored 'Trans proline' 0 CA--C 1.529 0.272 0 C-N-CA 122.573 2.182 . . . . 0.0 112.849 -178.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -100.13 -25.05 14.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.712 -0.222 . . . . 0.0 111.588 -176.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -175.97 172.87 2.36 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.87 0.366 . . . . 0.0 111.089 -178.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.0 t -94.55 128.59 45.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.039 177.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 69.9 m95 -126.37 -179.18 4.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.896 0.379 . . . . 0.0 110.313 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -115.46 160.18 13.41 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 121.028 -0.606 . . . . 0.0 111.805 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -112.99 169.51 8.87 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -118.47 23.37 11.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.573 0.702 . . . . 0.0 111.136 -171.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 68.0 t -113.62 103.16 14.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.139 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.9 m -81.28 -34.99 31.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.258 -177.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -124.28 130.12 24.46 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.325 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.27 91.8 0.22 Allowed 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.034 2.49 . . . . 0.0 113.42 -175.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -171.89 -46.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.03 174.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -80.81 42.31 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.814 -177.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 51.6 mt -81.95 80.61 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 171.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -109.11 168.66 9.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.449 -173.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.4 ttp180 -50.31 -37.52 36.88 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.128 0.571 . . . . 0.0 111.698 177.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -73.01 -34.01 66.11 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.853 0.358 . . . . 0.0 111.321 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.6 m -70.45 -24.44 62.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.386 0.612 . . . . 0.0 110.121 177.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.557 HD13 HD21 ' A' ' 90' ' ' LEU . 76.3 mt -99.74 19.84 15.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.446 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -56.29 -42.9 78.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.304 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 73.6 mtm-85 -75.47 -14.61 60.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.636 0.255 . . . . 0.0 111.233 179.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 58.4 t -82.2 -47.81 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.152 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -64.66 -33.79 76.77 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.018 0.437 . . . . 0.0 110.566 177.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -70.37 -48.67 55.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.328 -178.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -95.35 29.23 2.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.062 0.458 . . . . 0.0 110.875 -176.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.411 ' HA ' ' HB ' ' A' ' 68' ' ' ILE . . . -73.03 7.81 1.89 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.574 -179.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -78.08 -36.79 47.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.376 0.608 . . . . 0.0 109.489 174.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.81 -22.88 14.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.9 178.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.411 ' HB ' ' HA ' ' A' ' 65' ' ' ALA . 62.7 mt -84.58 94.55 3.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.046 0.45 . . . . 0.0 110.784 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.64 ' HB2' ' HD3' ' A' ' 118' ' ' ARG . 7.8 t70 -94.53 -60.49 1.7 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.791 174.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.5 m -104.51 124.09 48.65 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.792 177.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 65.5 tp -116.44 111.89 20.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.784 0.326 . . . . 0.0 110.821 -177.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 62.5 mt -97.31 120.11 46.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.198 178.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.7 t -101.3 122.88 53.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -104.27 98.4 1.54 Allowed Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.385 -176.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.1 p -120.19 97.8 5.76 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.924 0.392 . . . . 0.0 110.793 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.38 8.91 77.4 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.259 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.27 -34.83 15.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.849 0.357 . . . . 0.0 110.852 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -172.94 160.83 4.37 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 -178.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.1 t -86.9 97.71 6.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.913 0.387 . . . . 0.0 110.098 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 61.7 t90 -82.83 118.69 23.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.458 -178.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 66.4 mt -103.79 121.92 55.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.239 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.414 ' HA ' ' HD3' ' A' ' 83' ' ' PRO . . . -74.15 133.18 78.53 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 -179.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 82' ' ' ALA . 20.6 Cg_exo -65.22 165.1 23.09 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.815 2.343 . . . . 0.0 111.363 176.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.587 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 66.8 mtm-85 -64.72 -43.42 93.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.642 -173.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -60.74 -46.84 88.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.803 0.335 . . . . 0.0 110.857 -177.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.8 tp -67.81 -38.46 83.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 179.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 31.4 ttp85 -64.89 -43.77 91.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.826 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.587 ' HG2' ' O ' ' A' ' 84' ' ' ARG . 25.7 mm-40 -63.6 -32.44 73.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.933 0.397 . . . . 0.0 110.414 177.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.54 -51.71 47.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.688 177.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.557 HD21 HD13 ' A' ' 58' ' ' LEU . 74.3 mt -67.17 -54.9 16.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.031 -178.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.456 ' HA ' ' O ' ' A' ' 95' ' ' VAL . 18.6 ttt85 -74.15 -19.83 60.43 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.936 0.398 . . . . 0.0 110.738 -173.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -68.84 -33.34 75.1 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.101 177.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.51 HG23 HG23 ' A' ' 95' ' ' VAL . 27.3 m -90.79 26.54 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.841 0.353 . . . . 0.0 110.409 177.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.44 ' HB3' ' O ' ' A' ' 93' ' ' VAL . 7.0 t30 85.29 -24.24 0.14 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.968 174.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.51 HG23 HG23 ' A' ' 93' ' ' VAL . 79.3 t -60.44 108.46 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.376 0.608 . . . . 0.0 111.512 -175.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.1 t -80.02 102.51 6.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.717 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 52.2 tp -78.78 119.68 22.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.498 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -128.52 116.23 19.36 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.19 177.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.9 p -97.43 139.46 33.33 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.015 0.436 . . . . 0.0 111.384 -178.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 52.9 tpp -152.3 164.01 38.29 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.114 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -75.7 155.52 35.6 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 175.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.407 ' O ' HG13 ' A' ' 106' ' ' ILE . 31.6 m -49.07 -51.45 31.35 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -174.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.74 -68.21 1.82 Allowed Glycine 0 CA--C 1.522 0.5 0 C-N-CA 121.231 -0.509 . . . . 0.0 113.298 -177.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -57.66 -27.79 78.83 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 122.7 2.267 . . . . 0.0 112.95 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.87 -47.87 73.45 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.583 0.23 . . . . 0.0 110.713 178.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.795 HD13 HG21 ' A' ' 16' ' ' ILE . 92.3 mt -60.33 -47.03 94.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.52 179.073 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 53.7 ttm-85 -58.64 -51.94 67.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 45.8 m -64.15 -39.6 94.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -64.73 -39.22 93.28 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.282 -0.167 . . . . 0.0 110.852 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.8 -41.35 91.02 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.999 0.428 . . . . 0.0 110.743 177.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 69.3 mt -71.7 -39.54 69.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.395 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.541 ' HG2' HG21 ' A' ' 119' ' ' VAL . 2.5 tpt -65.39 -51.96 56.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.519 -178.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 11.4 tp -72.23 -17.9 19.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.895 0.379 . . . . 0.0 111.219 -175.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -66.82 -14.15 62.58 Favored Glycine 0 CA--C 1.518 0.254 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.891 -178.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -101.08 6.87 43.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.803 -0.234 . . . . 0.0 110.572 178.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 116' ' ' ARG . 13.2 ttp85 56.21 78.72 0.19 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.771 0.796 . . . . 0.0 110.083 -175.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -122.54 151.05 41.76 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.184 -174.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.64 ' HD3' ' HB2' ' A' ' 69' ' ' ASP . 10.0 ptp180 -69.59 78.69 0.42 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.375 0.607 . . . . 0.0 110.793 174.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.541 HG21 ' HG2' ' A' ' 112' ' ' MET . 9.7 p -138.58 146.54 26.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.414 -176.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -128.86 155.55 45.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.347 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.54 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -130.62 120.37 23.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.918 0.389 . . . . 0.0 111.522 -178.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -105.5 97.57 7.39 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 175.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 91.5 mt -103.3 126.86 50.69 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.048 -173.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 55.1 mt -111.47 138.8 38.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.975 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.89 156.66 38.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.031 0.443 . . . . 0.0 111.161 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 42.6 t . . . . . 0 C--N 1.323 -0.544 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.421 -179.16 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.608 ' HE1' ' HA3' ' A' ' 28' ' ' GLY . 66.6 m-85 . . . . . 0 C--O 1.233 0.217 0 CA-C-O 120.773 0.32 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -82.01 63.5 8.33 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.965 2.444 . . . . 0.0 112.416 -177.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 66.22 92.76 0.07 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.215 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.5 m -91.61 103.62 16.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.803 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -100.89 -4.24 28.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.911 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.03 107.56 14.68 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.797 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.4 mt -118.58 139.62 45.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.419 -178.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -151.51 -169.31 3.34 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 178.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 25' ' ' TYR . . . 55.36 31.32 16.52 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.334 0.588 . . . . 0.0 111.609 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -104.68 130.38 52.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.267 -179.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 165.49 -40.33 0.28 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.1 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -137.9 143.47 40.85 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.59 -52.69 4.49 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.44 177.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.03 -121.14 0.99 Allowed Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 111.636 -0.586 . . . . 0.0 111.636 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -127.19 116.8 21.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.919 0.39 . . . . 0.0 110.791 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.433 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 64.2 t80 -111.46 98.82 7.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.89 174.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -116.11 170.47 8.48 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.981 178.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.4 110.62 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 O-C-N 123.697 0.623 . . . . 0.0 110.907 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.608 ' HA3' ' HE1' ' A' ' 10' ' ' PHE . . . 128.67 -108.63 0.92 Allowed Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.761 -177.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.536 ' HB2' ' HZ ' ' A' ' 10' ' ' PHE . 26.4 mmt -118.89 142.84 47.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.949 0.404 . . . . 0.0 110.862 -175.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.7 p -83.06 152.85 25.18 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.074 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.675 ' HB2' HD21 ' A' ' 35' ' ' LEU . 68.9 m80 -145.25 164.31 31.77 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -109.83 -71.53 0.76 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -174.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.81 -80.2 0.24 Allowed Glycine 0 N--CA 1.455 -0.061 0 CA-C-N 115.857 -0.61 . . . . 0.0 114.091 -168.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.577 ' OG ' ' HB3' ' A' ' 45' ' ' TRP . 7.8 p -145.6 150.07 35.7 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.174 0.511 . . . . 0.0 111.572 -175.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.675 HD21 ' HB2' ' A' ' 31' ' ' HIS . 3.6 mm? -121.64 151.68 40.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.777 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.7 mt -112.29 96.39 5.99 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.698 177.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.561 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 85.8 m-85 -84.24 95.45 8.68 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.106 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.0 mt -85.57 164.03 41.89 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.508 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -71.65 17.07 0.31 Allowed 'Trans proline' 0 CA--C 1.533 0.45 0 C-N-CA 123.005 2.47 . . . . 0.0 113.804 -175.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -154.15 -32.14 0.11 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -144.34 156.52 44.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.721 0.296 . . . . 0.0 110.913 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.3 t -105.42 116.94 50.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.534 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 35.9 m95 -108.7 174.33 5.92 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.751 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -105.07 150.25 16.99 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.452 176.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.577 ' HB3' ' OG ' ' A' ' 34' ' ' SER . 5.1 t90 -106.58 162.95 13.29 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -110.18 25.56 11.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.348 0.594 . . . . 0.0 110.465 -172.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.415 HG13 ' HB3' ' A' ' 52' ' ' GLN . 92.6 t -113.68 135.42 53.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.583 -178.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 33.1 m -89.51 -38.09 14.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.295 -177.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.605 ' HB2' ' HD2' ' A' ' 50' ' ' PRO . 23.6 pttm -152.83 164.99 18.56 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.682 -0.236 . . . . 0.0 110.689 -177.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.605 ' HD2' ' HB2' ' A' ' 49' ' ' LYS . 11.1 Cg_endo -55.09 166.39 2.25 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.97 2.446 . . . . 0.0 112.444 176.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.506 ' HA ' ' CZ2' ' A' ' 80' ' ' TRP . 34.5 tt0 75.26 -27.39 0.19 Allowed 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.475 0.71 . . . . 0.0 111.062 -178.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.415 ' HB3' HG13 ' A' ' 47' ' ' VAL . 61.8 tt0 -77.83 -2.09 34.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.669 0.747 . . . . 0.0 109.936 174.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 57.2 mt -76.05 110.59 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.294 178.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.49 ' H ' ' HB2' ' A' ' 57' ' ' SER . 2.8 p30 -145.27 -173.32 4.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.796 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.5 ttp-105 -62.99 -36.39 83.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.036 -173.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -78.31 -39.04 40.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.06 0.457 . . . . 0.0 110.232 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.49 ' HB2' ' H ' ' A' ' 54' ' ' ASP . 32.8 m -67.19 -20.81 65.77 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.904 178.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.527 HD12 HD11 ' A' ' 86' ' ' LEU . 85.5 mt -97.17 17.32 17.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.436 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -55.46 -49.74 71.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.436 0.16 . . . . 0.0 111.407 -178.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.7 ttm-85 -62.59 -24.08 67.37 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.982 0.42 . . . . 0.0 110.82 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 65.2 t -77.18 -47.93 25.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.118 178.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.426 ' HA ' ' HB2' ' A' ' 65' ' ' ALA . 66.7 m-85 -64.95 -29.7 70.65 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.128 0.49 . . . . 0.0 110.505 176.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -62.19 -30.76 71.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.09 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -123.31 23.78 8.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.67 -177.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.426 ' HB2' ' HA ' ' A' ' 62' ' ' PHE . . . -62.69 -23.93 67.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.999 -175.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -66.87 -18.98 65.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.962 0.41 . . . . 0.0 111.134 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -105.69 6.7 32.15 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.758 -179.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 58.6 mt -112.67 130.16 66.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.245 0.545 . . . . 0.0 111.097 -176.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.528 ' HB3' ' HB2' ' A' ' 118' ' ' ARG . 3.3 t70 -114.7 -47.72 2.88 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.844 178.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 63.8 m -124.66 126.6 45.99 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.102 177.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 57.8 tp -110.1 113.02 25.38 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 62.1 mt -103.28 111.17 32.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.816 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.0 t -94.69 114.9 32.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.061 -178.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -82.86 106.12 2.72 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 175.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.585 ' HB ' ' O ' ' A' ' 78' ' ' ASP . 0.7 OUTLIER -87.78 -1.04 57.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.19 0.519 . . . . 0.0 111.674 -173.155 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.43 -113.11 4.56 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.234 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -109.98 6.26 22.97 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -175.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.585 ' O ' ' HB ' ' A' ' 75' ' ' THR . 35.7 t70 -147.07 151.36 36.74 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.2 t -90.91 108.14 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.928 0.394 . . . . 0.0 110.814 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.506 ' CZ2' ' HA ' ' A' ' 51' ' ' GLU . 40.6 t90 -88.06 140.05 29.89 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 175.018 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 63.2 mt -87.2 100.58 10.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.1 0.476 . . . . 0.0 110.059 -178.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.436 ' HA ' ' HD3' ' A' ' 83' ' ' PRO . . . -58.71 139.99 85.83 Favored Pre-proline 0 C--O 1.236 0.368 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.553 177.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.493 ' HD3' ' CH2' ' A' ' 80' ' ' TRP . 50.3 Cg_exo -53.74 134.45 58.7 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.304 2.669 . . . . 0.0 113.103 -175.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -55.12 -46.95 75.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.486 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.65 -46.12 91.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.109 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.527 HD11 HD12 ' A' ' 58' ' ' LEU . 43.3 tp -61.64 -39.93 93.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.505 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 30.0 ttm105 -62.08 -45.54 93.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.567 176.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -68.66 -27.47 66.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.74 -49.27 66.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.949 0.404 . . . . 0.0 110.362 176.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.698 ' HB3' ' HB ' ' A' ' 95' ' ' VAL . 95.8 mt -64.54 -42.26 95.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.151 0.501 . . . . 0.0 110.239 176.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 91' ' ' ARG . 0.1 OUTLIER -62.66 -30.36 71.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.603 178.068 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -67.73 -29.47 73.83 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.099 177.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 40.6 t -83.28 -81.43 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.71 0.291 . . . . 0.0 110.31 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -168.1 15.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.267 0.556 . . . . 0.0 110.143 -178.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.698 ' HB ' ' HB3' ' A' ' 90' ' ' LEU . 48.8 t -114.81 119.52 61.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.914 0.388 . . . . 0.0 111.868 -168.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.6 t -84.62 123.85 39.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 171.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.414 HD22 HD12 ' A' ' 90' ' ' LEU . 58.2 tp -99.89 107.92 20.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.956 0.408 . . . . 0.0 111.64 -174.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -114.93 142.84 46.06 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.436 HG22 ' OG1' ' A' ' 75' ' ' THR . 1.1 m -129.32 127.65 41.54 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 -177.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 24.3 ptp -157.79 178.3 10.4 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.579 0.228 . . . . 0.0 110.898 -176.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 -65.47 160.65 21.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.848 0.356 . . . . 0.0 111.229 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.434 ' O ' HG13 ' A' ' 106' ' ' ILE . 0.7 OUTLIER -63.19 -40.56 97.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.031 -177.596 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -54.45 -64.17 4.54 Favored Glycine 0 CA--C 1.522 0.486 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.805 178.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -57.04 -33.51 95.85 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.79 2.327 . . . . 0.0 112.793 177.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.65 -44.62 89.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.747 0.308 . . . . 0.0 111.209 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 102' ' ' THR . 79.5 mt -64.0 -40.26 88.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.211 0.529 . . . . 0.0 109.906 176.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.407 ' O ' HG13 ' A' ' 111' ' ' ILE . 27.5 ttm-85 -65.88 -46.25 79.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.066 -178.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.4 p -66.41 -40.43 89.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.561 -177.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -60.95 -45.68 93.75 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 175.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -55.52 -33.48 63.82 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.117 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 107' ' ' ARG . 83.2 mt -79.54 -53.27 13.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.225 179.029 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 65.8 mtt -64.98 -32.79 74.69 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -173.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 11.0 tp -66.2 -24.43 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.026 0.441 . . . . 0.0 110.748 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -70.37 -30.17 69.45 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.838 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -89.59 2.85 54.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.802 0.334 . . . . 0.0 110.828 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' ' 116' ' ' ARG . 20.4 ttm-85 59.68 32.89 21.73 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.65 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -81.92 145.49 30.29 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 174.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.528 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 97.5 mtt180 -70.85 75.69 0.62 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.39 0.614 . . . . 0.0 110.886 -178.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 7.2 p -106.49 129.22 60.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.651 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -116.86 121.39 41.35 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.627 177.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.561 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -101.78 109.6 21.4 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.086 0.469 . . . . 0.0 110.933 -178.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -93.96 95.57 9.15 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.158 176.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 80.3 mt -100.64 114.96 29.1 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.121 -173.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 57.0 mt -97.91 128.37 49.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.815 176.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -73.39 148.05 43.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.318 178.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 18.9 m . . . . . 0 C--N 1.322 -0.628 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.031 -179.118 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.414 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 89.6 m-85 . . . . . 0 N--CA 1.457 -0.113 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 10' ' ' PHE . 6.1 Cg_exo -77.17 97.59 1.16 Allowed 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 123.077 2.518 . . . . 0.0 113.841 -167.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.475 HH21 ' HD2' ' A' ' 117' ' ' ARG . 69.0 mtp85 53.84 33.53 17.28 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.418 169.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.9 t -90.84 118.09 29.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.612 0.72 . . . . 0.0 110.853 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -104.37 26.21 9.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.135 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.38 102.32 15.01 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.92 -176.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.51 HD12 HG23 ' A' ' 106' ' ' ILE . 63.9 mt -111.23 112.49 40.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.242 176.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -81.11 -45.9 15.75 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -174.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -143.51 127.91 17.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.813 0.339 . . . . 0.0 111.705 -177.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -111.04 124.03 51.36 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 172.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.402 ' O ' ' HB3' ' A' ' 21' ' ' LYS . . . 92.95 140.73 10.09 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 -173.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.402 ' HB3' ' O ' ' A' ' 20' ' ' GLY . 86.9 tttt 68.27 111.85 0.04 OUTLIER 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.435 0.636 . . . . 0.0 110.123 -172.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 75.24 11.31 84.2 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 120.827 -0.701 . . . . 0.0 111.859 -172.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.56 -105.53 2.74 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.75 -178.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -131.76 120.02 22.1 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 176.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -100.84 101.33 12.14 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 178.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -102.65 177.22 4.92 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 175.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.95 93.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.941 0.4 . . . . 0.0 110.935 177.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 148.47 -75.93 0.26 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.558 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 23.1 ptp -148.14 168.03 23.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.737 0.303 . . . . 0.0 111.309 -177.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.9 m -87.89 123.18 32.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.457 176.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -124.96 105.79 9.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.658 0.266 . . . . 0.0 110.613 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -84.7 150.86 24.83 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 175.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 122.42 -103.64 0.85 Allowed Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 -177.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.1 t -153.26 143.58 22.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.834 0.35 . . . . 0.0 110.196 177.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 84.4 mt -130.37 136.74 49.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.352 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.58 101.6 9.99 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -83.04 107.3 15.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.489 -178.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.431 HD12 ' CD1' ' A' ' 43' ' ' TRP . 94.1 mt -103.33 155.4 36.81 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.688 176.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.473 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 52.8 Cg_exo -56.32 -23.73 47.78 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.775 2.317 . . . . 0.0 113.014 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -90.39 -53.91 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 0.0 111.132 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -150.79 159.05 44.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.84 0.353 . . . . 0.0 111.306 -176.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.9 t -90.59 113.64 26.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.924 176.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.431 ' CD1' HD12 ' A' ' 38' ' ' LEU . 98.1 m95 -106.24 160.52 15.28 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.915 0.388 . . . . 0.0 110.904 -178.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.56 132.13 11.06 Favored Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 175.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -103.17 132.48 49.4 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -93.47 63.12 3.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.355 0.598 . . . . 0.0 110.544 -173.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.529 HG13 ' HB3' ' A' ' 52' ' ' GLN . 78.3 t -137.71 137.04 45.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.747 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 28.2 m -91.51 -42.69 10.12 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.784 0.291 . . . . 0.0 111.784 -176.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.504 ' HE3' ' HB2' ' A' ' 51' ' ' GLU . 58.8 pttt -139.84 159.32 65.25 Favored Pre-proline 0 C--N 1.33 -0.266 0 O-C-N 122.278 -0.264 . . . . 0.0 111.19 -177.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.599 ' HB3' HG22 ' A' ' 75' ' ' THR . 39.8 Cg_exo -58.42 -27.23 81.0 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.097 2.532 . . . . 0.0 113.195 -179.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.504 ' HB2' ' HE3' ' A' ' 49' ' ' LYS . 48.9 mt-10 -76.58 -4.16 41.4 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.037 0.446 . . . . 0.0 111.13 -178.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.529 ' HB3' HG13 ' A' ' 47' ' ' VAL . 36.3 tt0 -97.68 8.51 44.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.447 0.641 . . . . 0.0 109.926 -178.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.47 HG22 HD21 ' A' ' 86' ' ' LEU . 74.1 mt -77.42 117.09 21.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.669 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -144.7 173.1 12.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.416 -178.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 76.4 mtm-85 -55.73 -37.07 67.97 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 122.558 0.343 . . . . 0.0 111.443 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -72.12 -33.1 67.54 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -177.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.8 p -85.64 -23.4 27.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.007 0.432 . . . . 0.0 110.426 178.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.428 HD13 HD21 ' A' ' 90' ' ' LEU . 91.9 mt -91.53 13.48 17.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.071 176.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -56.33 -38.1 70.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.674 0.273 . . . . 0.0 111.001 -178.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.6 -30.42 70.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.911 0.386 . . . . 0.0 110.604 177.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.6 t -72.26 -43.98 64.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.581 -179.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -70.82 -31.81 68.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.037 0.446 . . . . 0.0 110.836 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -78.06 -46.71 20.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.245 -178.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -94.76 26.72 3.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.209 0.528 . . . . 0.0 110.267 -176.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.89 -21.64 66.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.579 -174.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -70.96 -26.24 63.07 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.653 0.263 . . . . 0.0 111.669 -176.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -94.32 -6.92 43.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.434 -177.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 22.9 pt -120.81 114.87 45.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.612 0.72 . . . . 0.0 111.957 -176.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.425 ' HB3' ' HB3' ' A' ' 118' ' ' ARG . 5.4 t70 -91.05 -50.66 5.74 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.514 174.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.7 m -114.49 126.95 55.53 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.985 178.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -113.22 114.4 26.68 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.479 ' HA ' ' O ' ' A' ' 98' ' ' ASP . 58.0 mt -102.82 128.84 55.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.422 -179.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 62.8 t -111.72 124.23 68.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.36 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -93.97 95.36 1.93 Allowed Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 177.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.599 HG22 ' HB3' ' A' ' 50' ' ' PRO . 17.3 p -83.2 51.7 2.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.108 0.48 . . . . 0.0 112.141 -174.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.521 ' HA2' HG22 ' A' ' 126' ' ' VAL . . . 77.29 -128.48 8.99 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.756 177.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -110.28 18.63 19.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.988 0.423 . . . . 0.0 111.239 -176.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -150.63 162.64 40.28 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.3 t -94.47 96.56 6.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.008 0.433 . . . . 0.0 110.971 -177.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.538 ' O ' HG21 ' A' ' 99' ' ' THR . 81.1 t90 -80.29 121.41 25.62 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 175.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 7.8 tp -87.5 122.66 39.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.408 0.623 . . . . 0.0 110.72 -176.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.05 140.75 83.34 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.412 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_exo -56.76 146.17 79.1 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.562 2.174 . . . . 0.0 111.708 178.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 84' ' ' ARG . 9.3 mmm180 -60.19 -37.78 81.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.884 -173.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.468 ' H ' ' NE2' ' A' ' 85' ' ' GLN . 1.5 mp0 -60.7 -40.52 92.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.89 0.376 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.47 HD21 HG22 ' A' ' 53' ' ' ILE . 58.0 tp -74.9 -37.42 62.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.838 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.586 ' HG3' HD23 ' A' ' 97' ' ' LEU . 8.1 ttp180 -67.79 -48.8 65.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.258 -178.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.78 -19.06 62.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.149 179.163 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.46 -45.25 84.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.842 0.353 . . . . 0.0 110.109 174.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.491 HD12 HD22 ' A' ' 97' ' ' LEU . 95.6 mt -66.67 -36.54 82.79 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.182 176.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -69.51 -20.19 63.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.596 178.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -59.3 -35.42 84.7 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.914 -0.585 . . . . 0.0 112.723 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -89.7 -85.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.993 177.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -160.0 14.05 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.861 0.362 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 58.8 t -95.15 114.07 30.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.927 0.394 . . . . 0.0 111.27 -172.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.9 t -87.95 109.68 19.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.608 174.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.586 HD23 ' HG3' ' A' ' 87' ' ' ARG . 55.7 tp -86.95 128.75 35.07 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.293 -176.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.479 ' O ' ' HA ' ' A' ' 72' ' ' ILE . 38.4 t70 -128.95 120.83 26.81 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.423 173.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.538 HG21 ' O ' ' A' ' 80' ' ' TRP . 12.0 m -105.29 130.57 53.39 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.435 -177.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.475 ' CG ' ' HB2' ' A' ' 104' ' ' PRO . 42.5 tpp -150.07 163.21 38.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.228 -175.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.456 ' HB2' ' HD2' ' A' ' 104' ' ' PRO . 58.3 mt-30 -66.24 152.46 44.83 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 173.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.422 ' O ' HG13 ' A' ' 106' ' ' ILE . 4.8 p -49.8 -49.55 48.31 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -175.324 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -53.79 -68.81 1.45 Allowed Glycine 0 CA--C 1.523 0.538 0 C-N-CA 121.312 -0.471 . . . . 0.0 113.201 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.475 ' HB2' ' CG ' ' A' ' 100' ' ' MET . 41.1 Cg_exo -57.9 -30.24 88.99 Favored 'Trans proline' 0 CA--C 1.532 0.401 0 C-N-CA 122.716 2.278 . . . . 0.0 113.008 178.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.44 -49.15 70.24 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.681 0.277 . . . . 0.0 110.722 178.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.51 HG23 HD12 ' A' ' 16' ' ' ILE . 84.0 mt -58.66 -43.31 87.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.182 177.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -58.39 -52.96 63.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.732 177.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 26.0 m -59.54 -42.79 93.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.755 -178.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -64.08 -48.87 74.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.195 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -63.95 -32.87 74.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.015 -175.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 81.8 mt -77.91 -44.18 28.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.993 0.425 . . . . 0.0 110.368 176.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.9 tpt -64.34 -36.66 84.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.24 -176.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' A' ' 117' ' ' ARG . 11.1 tp -68.45 -15.19 19.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.161 0.505 . . . . 0.0 110.59 -179.049 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -99.58 -5.52 55.45 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.049 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -111.62 -29.88 7.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.378 0.609 . . . . 0.0 110.632 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -163.36 90.39 0.65 Allowed 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -174.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.48 ' HA ' HD12 ' A' ' 113' ' ' ILE . 67.7 mtm-85 -64.92 74.92 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.419 178.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.425 ' HB3' ' HB3' ' A' ' 69' ' ' ASP . 24.2 mtt180 -156.75 29.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.142 178.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.1 p -126.64 146.64 32.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.331 -174.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -134.74 152.31 51.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.916 176.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -128.07 122.77 32.94 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.99 0.424 . . . . 0.0 111.412 -177.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -100.05 107.16 19.01 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.734 175.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.1 mt -100.0 124.4 45.32 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.992 0.425 . . . . 0.0 110.988 -176.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 62.2 mt -108.86 140.48 27.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.565 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -53.15 129.2 30.38 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -174.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.521 HG22 ' HA2' ' A' ' 76' ' ' GLY . 39.0 t . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.84 175.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -89.87 106.79 0.37 Allowed 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 123.182 2.588 . . . . 0.0 113.147 -173.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.555 ' HG2' ' O ' ' A' ' 39' ' ' PRO . 39.0 mtt85 63.15 25.83 15.04 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.075 171.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.0 t -90.33 128.91 36.57 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.264 0.554 . . . . 0.0 110.299 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.87 92.82 3.29 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.458 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.19 102.55 3.37 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.937 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.0 mm -98.16 109.9 24.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 175.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -86.06 -48.87 8.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.859 0.362 . . . . 0.0 110.902 -176.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.598 ' HB3' ' HB3' ' A' ' 25' ' ' TYR . . . -128.63 136.99 51.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.06 0.457 . . . . 0.0 110.692 177.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -139.32 139.97 37.42 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.9 -179.108 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 139.86 -91.61 0.19 Allowed Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.26 -0.971 . . . . 0.0 113.043 175.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -107.85 121.26 44.39 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.898 0.38 . . . . 0.0 111.344 -172.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.06 -3.76 28.6 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.475 178.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.721 ' HA2' ' HB1' ' A' ' 125' ' ' ALA . . . 115.31 -139.16 15.29 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -178.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -119.1 152.96 35.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.984 0.421 . . . . 0.0 110.188 175.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.598 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 91.3 t80 -132.38 108.84 9.44 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.085 0.469 . . . . 0.0 110.542 178.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -113.57 177.13 4.74 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.109 173.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.26 91.82 0.99 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.048 0.451 . . . . 0.0 110.96 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 149.81 -78.18 0.22 Allowed Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.967 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 24.9 ttt -126.08 152.91 45.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.741 0.305 . . . . 0.0 110.984 -173.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.1 t -143.71 -167.92 2.71 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 34.9 m170 72.27 24.91 2.96 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.404 0.682 . . . . 0.0 111.505 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.445 ' HG3' HD21 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -117.91 151.58 37.13 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 176.184 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.421 ' HA2' ' CB ' ' A' ' 125' ' ' ALA . . . -114.61 8.23 22.15 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.402 -0.904 . . . . 0.0 113.258 -176.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.745 ' HB3' ' HB3' ' A' ' 45' ' ' TRP . 6.6 m -147.02 114.68 6.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 117.037 0.418 . . . . 0.0 110.805 -176.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.445 HD21 ' HG3' ' A' ' 32' ' ' GLN . 90.1 mt -135.55 137.24 41.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.91 0.386 . . . . 0.0 111.499 -178.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.1 mt -109.59 100.85 9.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.268 176.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.44 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 93.0 m-85 -90.85 92.56 8.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.861 0.362 . . . . 0.0 110.239 178.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.9 mt -96.31 158.56 33.71 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.917 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.555 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 12.2 Cg_exo -71.24 7.34 1.46 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.948 2.432 . . . . 0.0 112.362 179.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -122.69 -56.15 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.144 179.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -144.57 154.62 43.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.062 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.1 t -98.4 117.48 43.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.655 174.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -109.2 150.19 28.28 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.086 -176.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.13 127.95 8.46 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 110.764 -0.935 . . . . 0.0 110.764 173.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.745 ' HB3' ' HB3' ' A' ' 34' ' ' SER . 1.1 t90 -99.32 151.41 21.09 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -175.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -105.38 9.47 33.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 122.207 1.003 . . . . 0.0 110.386 -178.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.526 HG21 ' HB3' ' A' ' 57' ' ' SER . 86.8 t -96.24 95.01 4.46 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.347 -178.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.2 p -93.02 8.89 38.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.915 -176.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.533 ' HB2' ' HB2' ' A' ' 52' ' ' GLN . 97.8 mttt -130.53 132.42 23.97 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.716 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 49' ' ' LYS . 43.1 Cg_exo -58.03 -33.37 97.18 Favored 'Trans proline' 0 CA--C 1.528 0.195 0 C-N-CA 122.931 2.421 . . . . 0.0 112.69 -179.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -96.36 10.71 37.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.551 0.691 . . . . 0.0 110.834 -177.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.533 ' HB2' ' HB2' ' A' ' 49' ' ' LYS . 8.8 tt0 -95.39 7.29 46.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.856 0.836 . . . . 0.0 109.295 176.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 69.0 mt -76.37 103.98 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.127 177.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -126.9 169.88 12.82 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.745 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.97 -41.09 64.24 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 122.706 0.403 . . . . 0.0 110.451 177.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -66.55 -41.06 89.22 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.571 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.526 ' HB3' HG21 ' A' ' 47' ' ' VAL . 13.8 m -65.75 -24.65 67.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.587 178.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 88.5 mt -103.25 16.95 25.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.856 -178.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -58.92 -39.31 81.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.897 0.38 . . . . 0.0 110.753 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -69.34 -27.91 65.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.59 176.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.5 t -70.42 -37.3 70.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.37 179.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -65.29 -40.84 94.37 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.193 0.521 . . . . 0.0 110.009 174.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -69.15 -41.38 77.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.459 -177.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -96.5 17.55 15.97 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.152 -178.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.81 -16.05 62.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.026 -177.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -65.25 -31.6 72.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.898 0.38 . . . . 0.0 110.765 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.467 ' O ' ' HG2' ' A' ' 39' ' ' PRO . . . -96.55 -4.43 41.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.804 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 68.0 mt -107.62 111.12 34.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.118 0.485 . . . . 0.0 111.204 -175.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -99.03 -62.3 1.25 Allowed 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 171.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 58.5 m -104.73 116.17 31.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.828 178.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.0 tp -105.16 106.58 17.14 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.075 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 50.3 mt -94.54 117.61 38.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.579 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.506 HG22 ' HB3' ' A' ' 122' ' ' ALA . 59.4 t -107.34 129.29 61.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.797 -178.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -107.59 111.13 3.35 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 175.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.615 HG21 ' HB3' ' A' ' 80' ' ' TRP . 23.1 p -72.08 -35.93 69.38 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.971 0.415 . . . . 0.0 111.966 -175.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 149.26 -127.64 2.53 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.808 -0.71 . . . . 0.0 111.515 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.544 ' HB2' HG13 ' A' ' 126' ' ' VAL . . . -88.05 -47.6 8.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.397 0.618 . . . . 0.0 109.639 177.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -82.18 160.43 23.06 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.471 177.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 14.3 p -104.72 113.2 41.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.667 0.746 . . . . 0.0 110.316 -177.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.615 ' HB3' HG21 ' A' ' 75' ' ' THR . 64.8 t90 -99.05 124.62 44.18 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.143 -178.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.2 mp -87.23 119.38 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.08 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.413 ' HA ' ' HD3' ' A' ' 83' ' ' PRO . . . -89.26 143.65 31.26 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.716 -178.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 82' ' ' ALA . 33.2 Cg_exo -61.97 131.5 35.24 Favored 'Trans proline' 0 C--O 1.24 0.586 0 C-N-CA 122.722 2.281 . . . . 0.0 111.944 177.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -58.41 -24.71 60.81 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.783 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -61.57 -34.29 75.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.937 0.398 . . . . 0.0 110.558 178.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.1 tp -73.54 -42.58 61.51 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 176.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.811 ' HG2' ' HB3' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -62.54 -38.53 90.38 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.031 176.74 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -68.93 -28.91 67.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.426 -177.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.87 -42.45 97.53 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 172.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.614 ' HB3' ' HB ' ' A' ' 95' ' ' VAL . 95.9 mt -72.29 -24.3 61.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.509 175.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.547 ' HD3' ' O ' ' A' ' 91' ' ' ARG . 0.1 OUTLIER -64.9 -30.75 71.77 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 177.172 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -56.67 -38.47 82.3 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.274 176.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.561 HG23 HG23 ' A' ' 95' ' ' VAL . 6.9 m -100.13 15.95 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.085 0.469 . . . . 0.0 110.723 177.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 64.01 29.64 14.26 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.199 -0.91 . . . . 0.0 112.599 173.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.614 ' HB ' ' HB3' ' A' ' 90' ' ' LEU . 74.9 t -86.24 118.61 32.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.065 0.459 . . . . 0.0 110.117 175.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 41.7 t -79.2 100.87 4.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 176.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.811 ' HB3' ' HG2' ' A' ' 87' ' ' ARG . 57.9 tp -89.62 121.93 32.27 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.5 -176.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -126.75 115.88 20.08 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.923 0.392 . . . . 0.0 110.028 177.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.5 m -97.8 123.06 41.59 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.766 -177.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 73.0 mtm -140.19 -175.75 4.36 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.079 177.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -86.16 162.48 18.34 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 175.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.1 p -54.54 -46.73 73.67 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -171.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -53.66 -67.07 2.33 Favored Glycine 0 CA--C 1.523 0.532 0 C-N-CA 121.34 -0.457 . . . . 0.0 113.277 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.55 -32.5 74.5 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.014 2.476 . . . . 0.0 113.089 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.18 -51.15 68.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.041 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 73.2 mt -62.39 -44.0 98.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -57.51 -52.36 65.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.453 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 15.9 m -65.5 -38.25 89.15 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.169 -177.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -63.62 -45.61 89.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.714 178.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -57.06 -44.92 83.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.542 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.407 ' O ' ' HG2' ' A' ' 115' ' ' GLU . 72.5 mt -66.35 -47.78 83.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.01 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 90.6 mmm -66.77 -38.3 86.28 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -174.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 11.2 tp -69.52 -26.45 31.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-O 121.064 0.459 . . . . 0.0 110.406 -178.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.82 -46.99 8.08 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.959 177.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 111' ' ' ILE . 15.0 mm-40 -61.72 -57.59 11.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.613 0.244 . . . . 0.0 111.027 -179.393 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 76.6 mtt180 -132.83 -104.02 0.25 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.862 0.363 . . . . 0.0 110.521 178.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 176.79 -155.55 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 -175.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 19.4 mmt85 62.6 22.09 13.09 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.448 0.642 . . . . 0.0 111.338 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.453 ' O ' ' HG3' ' A' ' 39' ' ' PRO . 7.1 p -116.37 131.02 70.15 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.606 178.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -122.96 145.11 48.77 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.396 -178.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.44 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -119.17 111.93 18.87 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.01 0.433 . . . . 0.0 111.047 -179.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.506 ' HB3' HG22 ' A' ' 73' ' ' VAL . . . -94.18 99.0 11.35 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 173.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 98.3 mt -108.89 115.93 31.03 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.062 0.458 . . . . 0.0 111.814 -170.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 67.3 mt -98.85 126.19 52.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 170.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.721 ' HB1' ' HA2' ' A' ' 23' ' ' GLY . . . -65.83 148.45 51.76 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.662 -174.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.544 HG13 ' HB2' ' A' ' 77' ' ' ALA . 94.0 t . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.691 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.444 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 41.2 m-85 . . . . . 0 N--CA 1.448 -0.54 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 10' ' ' PHE . 7.4 Cg_exo -72.69 77.42 2.23 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 123.081 2.521 . . . . 0.0 112.697 -176.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 56.68 76.32 0.31 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.265 177.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.1 t -96.7 133.35 41.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.571 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -107.77 -14.4 14.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.534 0.683 . . . . 0.0 110.183 177.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.57 102.74 15.39 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.067 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.5 mt -107.58 125.67 63.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.108 175.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -85.59 -58.3 2.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.709 0.29 . . . . 0.0 111.502 -173.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.89 144.96 39.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.89 0.376 . . . . 0.0 111.019 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -149.15 156.04 41.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.357 177.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.67 -56.15 4.68 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.027 -0.606 . . . . 0.0 113.24 175.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -51.94 -65.43 0.56 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.011 0.434 . . . . 0.0 111.421 -176.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -121.51 39.71 2.29 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 177.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.653 ' HA2' ' OE1' ' A' ' 32' ' ' GLN . . . 91.23 -168.5 32.39 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -175.104 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.403 ' O ' ' HA ' ' A' ' 30' ' ' SER . 92.1 m-85 -83.15 110.77 18.32 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 174.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.591 ' HA ' ' O ' ' A' ' 29' ' ' MET . 55.0 t80 -111.95 98.78 7.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.193 0.521 . . . . 0.0 110.366 -178.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -142.53 137.28 30.06 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.162 173.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 66.98 13.54 9.51 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.727 0.642 . . . . 0.0 111.215 -177.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.24 -9.53 61.21 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.939 -0.648 . . . . 0.0 113.573 176.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.591 ' O ' ' HA ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -88.06 165.03 15.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.153 0.476 . . . . 0.0 110.649 -178.55 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.501 ' OG ' ' HD2' ' A' ' 25' ' ' TYR . 67.8 m -151.53 138.86 19.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.503 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -173.97 137.7 0.58 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.488 176.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.653 ' OE1' ' HA2' ' A' ' 23' ' ' GLY . 10.1 mm100 -94.31 107.01 18.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.056 0.455 . . . . 0.0 109.826 173.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.11 -164.72 31.29 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 -178.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.671 ' HB2' ' O ' ' A' ' 45' ' ' TRP . 5.3 m -111.22 131.96 54.71 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 117.172 0.486 . . . . 0.0 110.579 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 96.0 mt -122.03 146.51 47.1 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.602 -177.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.7 111.76 22.35 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -92.17 101.54 14.05 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.126 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.435 ' C ' ' H ' ' A' ' 40' ' ' ASP . 94.5 mt -89.9 159.44 42.98 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.871 178.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -68.45 16.88 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.109 2.539 . . . . 0.0 113.058 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.435 ' H ' ' C ' ' A' ' 38' ' ' LEU . 23.9 m-20 -135.54 -53.27 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.66 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -150.28 159.58 44.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.651 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.1 t -89.96 132.02 35.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.264 177.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 79.1 m95 -124.81 159.21 31.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.599 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.63 130.82 10.18 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.807 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.671 ' O ' ' HB2' ' A' ' 34' ' ' SER . 27.0 t90 -136.49 76.91 1.62 Allowed 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 -178.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -74.43 97.65 3.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.204 -169.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 57.3 t -128.23 96.03 3.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.277 -0.874 . . . . 0.0 108.689 173.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.3 m -59.44 -46.97 87.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.091 -174.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.43 ' HE2' ' HB3' ' A' ' 49' ' ' LYS . 17.8 mtpt -117.18 127.1 26.93 Favored Pre-proline 0 C--N 1.325 -0.489 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.528 178.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.76 -8.09 20.26 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 123.4 2.733 . . . . 0.0 113.601 -174.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -67.58 -22.96 65.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.093 0.473 . . . . 0.0 110.458 178.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -92.52 24.62 3.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.686 -177.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 71.1 mt -76.01 103.09 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 172.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -136.22 -165.61 1.74 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.666 -174.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 35.8 mtm180 -73.42 -29.11 62.36 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.531 0.197 . . . . 0.0 111.531 -177.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -71.69 -45.32 62.22 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 120.953 0.406 . . . . 0.0 110.555 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.2 p -70.82 -35.24 72.4 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.931 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 88.2 mt -85.45 8.57 18.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.264 178.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -54.53 -41.68 69.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.984 0.421 . . . . 0.0 110.456 177.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -67.19 -30.65 70.65 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.458 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.6 t -71.34 -45.89 67.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.445 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -67.64 -33.15 74.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.767 177.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -72.73 -47.78 44.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.146 -178.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -94.62 23.82 5.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.41 0.624 . . . . 0.0 110.248 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.3 -12.71 54.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.764 -177.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -68.27 -25.13 65.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.925 0.393 . . . . 0.0 110.306 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -114.26 0.18 14.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.052 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.1 mt -112.76 97.96 6.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.077 0.465 . . . . 0.0 110.744 -177.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.947 ' HB3' ' HB3' ' A' ' 118' ' ' ARG . 0.7 OUTLIER -102.36 -34.83 9.04 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.947 176.872 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.504 ' O ' ' HA ' ' A' ' 119' ' ' VAL . 10.1 m -121.0 128.74 52.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.492 177.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 57.7 tp -129.85 111.84 12.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.995 0.426 . . . . 0.0 110.92 -177.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 59.6 mt -104.8 114.35 44.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.613 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.0 t -101.42 115.54 43.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.554 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -100.2 100.3 2.16 Favored Glycine 0 N--CA 1.443 -0.883 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 176.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.52 ' HA ' HD12 ' A' ' 124' ' ' ILE . 68.2 p -80.3 43.83 0.66 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.299 0.571 . . . . 0.0 111.775 -172.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.31 -111.21 3.66 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 111.696 -0.562 . . . . 0.0 111.696 -178.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -119.75 -15.86 8.84 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.127 0.489 . . . . 0.0 110.234 176.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -94.41 90.61 6.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.427 -179.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.461 ' HA ' ' OG1' ' A' ' 75' ' ' THR . 7.3 p -67.57 124.98 24.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.362 0.601 . . . . 0.0 111.785 -173.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 43.8 t90 -110.8 117.85 34.54 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.003 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 66.9 mt -87.83 120.22 36.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.244 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.404 ' HA ' ' HD3' ' A' ' 83' ' ' PRO . . . -74.36 135.04 76.13 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.238 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 82' ' ' ALA . 33.4 Cg_exo -60.49 158.93 29.61 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.94 2.427 . . . . 0.0 111.994 177.267 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 38.1 mtm-85 -61.57 -35.14 76.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.323 -175.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -65.87 -39.02 90.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.78 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.1 tp -73.93 -39.69 63.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.148 0.499 . . . . 0.0 110.014 178.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -60.8 -42.55 97.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.608 177.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -69.4 -35.32 75.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.11 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.96 -51.43 69.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.138 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.719 HD12 HD22 ' A' ' 97' ' ' LEU . 70.0 mt -69.64 -33.01 72.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.695 177.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -61.25 -30.91 70.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.29 -31.22 79.8 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 121.189 -0.529 . . . . 0.0 112.216 178.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.473 ' HB ' HG23 ' A' ' 95' ' ' VAL . 5.2 t -89.2 5.03 4.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.527 0.679 . . . . 0.0 109.383 176.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.433 HD22 ' HA ' ' A' ' 94' ' ' ASN . 9.3 m120 71.71 13.4 6.23 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 114.823 -1.08 . . . . 0.0 111.623 -179.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.496 ' HB ' ' HB3' ' A' ' 90' ' ' LEU . 56.0 t -76.23 110.13 11.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.041 0.448 . . . . 0.0 109.821 177.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.6 t -77.5 96.53 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.993 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.719 HD22 HD12 ' A' ' 90' ' ' LEU . 48.1 tp -90.22 138.26 31.67 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.174 -179.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -139.12 142.48 38.07 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 172.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.8 p -106.17 109.37 21.29 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -175.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.459 ' O ' ' HA2' ' A' ' 74' ' ' GLY . 21.1 mmt -132.56 -177.51 4.51 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.26 0.552 . . . . 0.0 111.577 -174.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -103.5 161.81 13.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.465 -0.788 . . . . 0.0 108.968 172.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.501 ' O ' HG13 ' A' ' 106' ' ' ILE . 7.5 p -52.43 -62.41 1.66 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -171.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -46.88 -64.23 2.8 Favored Glycine 0 CA--C 1.523 0.579 0 O-C-N 123.476 0.485 . . . . 0.0 113.914 -177.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.4 -36.78 94.65 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.772 2.315 . . . . 0.0 112.936 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.2 -42.63 75.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.431 -177.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 102' ' ' THR . 79.1 mt -59.8 -49.77 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-O 120.917 0.389 . . . . 0.0 110.742 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -61.46 -43.57 98.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.714 -178.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 33.0 m -64.48 -42.35 95.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.651 178.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -59.22 -43.01 92.32 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.985 178.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.4 ' O ' HG22 ' A' ' 113' ' ' ILE . 96.5 m-20 -62.5 -33.94 75.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.283 -179.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 54.4 mt -72.94 -42.82 60.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.905 0.383 . . . . 0.0 110.837 175.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 57.1 mtt -72.27 -30.19 64.6 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -175.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.4 HD12 ' HA ' ' A' ' 113' ' ' ILE . 10.9 tp -67.43 -8.47 8.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 CA-C-O 121.231 0.539 . . . . 0.0 110.959 -178.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -121.26 25.11 7.13 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.998 -0.62 . . . . 0.0 111.886 175.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -148.77 -36.15 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.969 0.414 . . . . 0.0 111.162 -177.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -145.05 79.07 1.58 Allowed 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -74.32 60.98 0.86 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.496 -175.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.947 ' HB3' ' HB3' ' A' ' 69' ' ' ASP . 79.0 mtt180 -135.2 14.78 3.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.244 175.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.504 ' HA ' ' O ' ' A' ' 70' ' ' THR . 7.4 p -107.34 134.01 50.35 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-N 114.847 -1.069 . . . . 0.0 111.963 -169.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -118.38 147.66 43.31 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.267 173.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -120.44 123.63 43.46 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.981 0.419 . . . . 0.0 111.477 -175.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -108.0 115.33 29.94 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 176.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 90.1 mt -114.38 123.31 49.15 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.922 0.392 . . . . 0.0 111.31 -175.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.52 HD12 ' HA ' ' A' ' 75' ' ' THR . 62.0 mt -94.58 148.5 4.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.053 177.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -45.44 140.55 3.08 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.367 -179.559 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.813 ' HB2' ' HB1' ' A' ' 41' ' ' ALA . 94.6 m-85 . . . . . 0 CA--C 1.527 0.08 0 CA-C-O 120.798 0.332 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 10' ' ' PHE . 4.3 Cg_exo -82.0 40.87 1.03 Allowed 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 123.661 2.908 . . . . 0.0 113.315 -175.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 68.48 104.74 0.05 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.358 0.599 . . . . 0.0 111.294 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.7 m -137.89 117.75 13.25 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.768 178.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -121.56 11.69 10.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.011 0.434 . . . . 0.0 110.73 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.18 115.66 28.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.347 -176.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.5 HD12 HG23 ' A' ' 106' ' ' ILE . 73.0 mt -107.75 126.86 64.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.633 178.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.472 ' H ' ' HA ' ' A' ' 26' ' ' PHE . 24.0 t70 -83.57 -55.68 4.15 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.511 -170.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -139.21 150.25 45.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.013 0.435 . . . . 0.0 111.28 -176.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -127.16 118.51 24.48 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.991 177.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 160.68 -105.56 0.27 Allowed Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.43 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -67.81 127.57 33.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.8 0.333 . . . . 0.0 110.724 -178.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.36 -5.49 80.78 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.904 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.19 -84.96 1.19 Allowed Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.65 -178.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -120.34 136.2 54.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.738 0.304 . . . . 0.0 110.75 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.427 ' CD1' ' HB2' ' A' ' 30' ' ' SER . 21.0 t80 -133.28 125.82 30.11 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 174.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.472 ' HA ' ' H ' ' A' ' 17' ' ' ASP . 41.7 p90 -139.2 177.39 7.94 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.789 -179.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.49 90.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.455 0.472 . . . . 0.0 110.26 177.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 150.59 -76.58 0.24 Allowed Glycine 0 N--CA 1.442 -0.915 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.942 -177.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -147.69 176.08 10.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.906 0.384 . . . . 0.0 111.656 -175.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.427 ' HB2' ' CD1' ' A' ' 25' ' ' TYR . 31.3 t -129.99 141.26 50.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.4 176.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 -167.72 154.11 7.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.617 0.246 . . . . 0.0 110.837 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.15 -163.18 0.8 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 175.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.71 -147.27 19.77 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.71 -0.757 . . . . 0.0 111.836 178.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.53 ' HB3' ' HE3' ' A' ' 45' ' ' TRP . 46.3 m -126.0 140.66 52.43 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.823 0.344 . . . . 0.0 110.229 178.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 97.7 mt -120.66 138.12 54.1 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.69 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.807 ' HG ' ' HB2' ' A' ' 45' ' ' TRP . 79.9 mt -99.83 96.43 7.58 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.88 178.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.429 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 84.4 m-85 -85.23 92.1 8.33 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.437 HD23 ' HB1' ' A' ' 120' ' ' ALA . 79.0 mt -102.34 156.82 34.78 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 115.239 -0.892 . . . . 0.0 109.678 -179.242 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -62.8 -11.89 26.31 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.516 2.144 . . . . 0.0 111.886 176.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -90.65 -57.56 2.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.061 177.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.813 ' HB1' ' HB2' ' A' ' 10' ' ' PHE . . . -161.82 172.9 15.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.015 -176.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.7 t -91.78 101.28 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.38 176.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -99.33 153.58 18.86 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.484 -177.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.36 126.55 8.29 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.034 -178.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.807 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 3.6 t90 -106.18 106.9 17.64 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -78.32 73.38 4.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.471 0.653 . . . . 0.0 110.892 -175.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 99.5 t -139.92 128.25 26.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.216 176.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.3 m -105.76 -7.26 18.46 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.125 0.488 . . . . 0.0 111.202 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -123.15 117.31 28.3 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.269 -176.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -62.75 -22.37 73.84 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.507 2.138 . . . . 0.0 111.685 175.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -70.83 -21.05 62.5 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.692 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -98.5 20.0 13.54 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.811 -173.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.436 HD11 HD11 ' A' ' 124' ' ' ILE . 70.7 mt -75.99 113.21 14.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 174.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -144.75 -173.28 4.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.502 -175.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 33.7 mtp-105 -65.37 -36.6 84.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.25 -177.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -69.73 -43.75 71.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.785 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.1 p -73.67 -28.57 61.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.345 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.419 HD12 HD11 ' A' ' 86' ' ' LEU . 84.7 mt -89.13 14.99 9.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.523 179.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -54.76 -37.05 65.5 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.101 0.477 . . . . 0.0 110.605 178.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.615 ' HE ' ' HA ' ' A' ' 60' ' ' ARG . 1.0 OUTLIER -63.76 -30.03 71.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.611 -179.284 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.2 t -74.38 -37.88 45.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.241 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -61.37 -36.92 81.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.535 176.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -55.13 -58.72 6.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.389 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.402 ' OD1' ' HB3' ' A' ' 67' ' ' ALA . 8.5 t-20 -96.13 18.23 14.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.126 -172.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.19 -22.47 61.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.971 0.415 . . . . 0.0 111.814 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -69.93 -15.74 63.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 178.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.402 ' HB3' ' OD1' ' A' ' 64' ' ' ASN . . . -118.77 4.61 11.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.668 178.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.2 mt -116.5 111.13 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.221 0.534 . . . . 0.0 110.517 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.911 ' HB2' ' HD3' ' A' ' 118' ' ' ARG . 12.2 t70 -95.62 -55.71 2.93 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.364 177.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.0 m -110.82 130.97 55.43 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.166 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.535 HD23 HD12 ' A' ' 97' ' ' LEU . 62.7 tp -119.36 114.37 22.24 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.883 0.373 . . . . 0.0 110.384 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 72.9 mt -95.81 121.97 46.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.006 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 96.2 t -106.42 121.89 59.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.719 0.295 . . . . 0.0 110.57 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -101.36 91.31 0.92 Allowed Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.827 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.431 HG21 ' H ' ' A' ' 80' ' ' TRP . 3.6 t -79.09 130.09 35.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.154 0.502 . . . . 0.0 110.775 -178.396 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -96.48 161.23 22.14 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.71 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.536 ' H ' HG12 ' A' ' 126' ' ' VAL . . . 75.86 -43.51 0.48 Allowed 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.187 0.995 . . . . 0.0 111.322 178.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -163.26 -175.28 4.19 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 42.3 t -97.96 102.76 13.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.831 0.348 . . . . 0.0 110.58 -177.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.431 ' H ' HG21 ' A' ' 75' ' ' THR . 85.8 t90 -88.03 123.18 32.46 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 174.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.1 mp -96.14 121.24 46.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.075 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.407 ' HA ' ' HD3' ' A' ' 83' ' ' PRO . . . -64.74 127.24 92.33 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.583 177.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 82' ' ' ALA . 53.1 Cg_exo -55.66 154.86 23.83 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.187 2.591 . . . . 0.0 111.989 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.1 ptt85 -62.47 -38.9 91.64 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.03 -174.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -59.09 -46.12 89.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.777 0.322 . . . . 0.0 111.271 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.419 HD11 HD12 ' A' ' 58' ' ' LEU . 66.6 tp -63.8 -39.35 94.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.204 0.526 . . . . 0.0 110.11 178.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 87' ' ' ARG . 12.8 ttm180 -70.72 -44.15 67.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.994 -177.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -68.1 -30.83 70.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.052 -178.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.55 -48.79 71.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.057 0.456 . . . . 0.0 110.287 176.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.9 mt -67.44 -38.47 84.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.622 177.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.431 ' HD2' ' HA ' ' A' ' 91' ' ' ARG . 8.5 tpt180 -63.94 -26.3 68.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.639 179.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -63.92 -24.46 68.45 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.963 -0.637 . . . . 0.0 111.858 175.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.439 ' HB ' HG23 ' A' ' 95' ' ' VAL . 4.4 t -99.09 7.13 8.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.306 0.574 . . . . 0.0 109.541 176.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 68.73 20.24 8.22 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.56 -178.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.439 HG23 ' HB ' ' A' ' 93' ' ' VAL . 53.6 t -84.15 106.85 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 175.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.3 t -83.6 90.87 2.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.567 -177.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.535 HD12 HD23 ' A' ' 71' ' ' LEU . 9.9 tt -84.13 126.68 33.33 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.911 177.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -133.8 126.32 30.34 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 176.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.7 t -110.49 138.1 47.32 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.124 0.488 . . . . 0.0 111.551 -173.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.5 pmm? -154.53 177.9 10.68 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 176.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -61.63 148.86 41.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.571 0.225 . . . . 0.0 110.748 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -51.66 -40.11 59.42 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -175.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -57.66 -67.1 2.38 Favored Glycine 0 CA--C 1.523 0.552 0 C-N-CA 121.181 -0.533 . . . . 0.0 112.837 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.43 -30.69 64.92 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.799 2.332 . . . . 0.0 112.929 176.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.25 -48.28 80.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.697 0.284 . . . . 0.0 111.097 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.5 HG23 HD12 ' A' ' 16' ' ' ILE . 76.5 mt -61.23 -39.08 81.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-O 121.361 0.601 . . . . 0.0 110.175 177.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -60.81 -57.9 10.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.049 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 83.5 m -60.59 -36.83 79.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.395 -178.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -61.96 -43.24 99.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.815 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -61.01 -39.71 90.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.756 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 74.4 mt -65.17 -43.69 95.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.903 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.571 ' HA ' ' CE ' ' A' ' 112' ' ' MET . 10.4 mmt -66.76 -43.42 84.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.322 -179.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 37.3 mm -64.65 -33.24 61.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.11 0.481 . . . . 0.0 110.283 177.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -84.69 16.7 34.64 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.422 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -121.63 -61.06 1.55 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -140.42 -102.66 0.15 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.093 0.473 . . . . 0.0 111.322 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 176.73 -161.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -175.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.911 ' HD3' ' HB2' ' A' ' 69' ' ' ASP . 15.4 ttt-85 65.69 25.88 11.48 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.477 0.656 . . . . 0.0 109.807 178.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.426 HG11 ' HB3' ' A' ' 112' ' ' MET . 7.2 p -128.06 139.86 50.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.551 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.437 ' HB1' HD23 ' A' ' 38' ' ' LEU . . . -130.78 156.89 44.22 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.465 -178.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.429 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -129.04 121.32 27.65 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.05 0.453 . . . . 0.0 111.443 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -100.45 95.97 7.09 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 173.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 86.0 mt -103.18 130.62 50.42 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 -172.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.436 HD11 HD11 ' A' ' 53' ' ' ILE . 56.7 mt -113.56 133.98 57.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.195 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.03 154.86 40.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.223 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.536 HG12 ' H ' ' A' ' 77' ' ' ALA . 15.3 m . . . . . 0 C--N 1.321 -0.638 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.492 -177.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.482 ' HZ ' ' HG3' ' A' ' 29' ' ' MET . 89.7 m-85 . . . . . 0 N--CA 1.455 -0.192 0 CA-C-O 120.576 0.227 . . . . 0.0 110.577 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -79.34 70.56 7.45 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.582 2.188 . . . . 0.0 112.3 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? 62.76 96.86 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.863 -178.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.2 t -139.36 138.42 36.6 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.023 175.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -146.66 19.69 1.31 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.988 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.52 102.11 14.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.695 -177.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 70.6 mt -102.8 111.72 33.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.563 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -75.65 -44.56 41.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.649 -177.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -162.31 168.29 22.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.616 179.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -149.14 157.68 43.58 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 175.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 154.89 -115.54 0.67 Allowed Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.154 -1.022 . . . . 0.0 112.699 176.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -69.68 104.55 2.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.905 0.384 . . . . 0.0 110.162 -176.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.458 ' O ' ' HA ' ' A' ' 31' ' ' HIS . . . 110.7 -9.05 30.08 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.043 176.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.24 -144.27 18.0 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.301 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -95.81 149.23 21.75 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.189 0.519 . . . . 0.0 111.408 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -119.05 105.74 11.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.107 176.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -142.15 177.14 8.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.415 -177.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.05 127.23 31.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.984 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.45 -67.06 0.25 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.256 178.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.482 ' HG3' ' HZ ' ' A' ' 10' ' ' PHE . 64.1 mtt -124.65 163.18 22.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.199 0.523 . . . . 0.0 111.104 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.8 m -154.27 173.13 16.56 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 176.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.458 ' HA ' ' O ' ' A' ' 22' ' ' GLY . 40.6 t-80 68.05 26.0 7.39 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.634 0.73 . . . . 0.0 110.187 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.447 ' HB3' HD21 ' A' ' 35' ' ' LEU . 16.6 mm-40 -101.11 124.3 46.6 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.351 177.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.44 -57.68 2.3 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.75 -174.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.0 m -114.73 119.97 38.49 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.11 0.481 . . . . 0.0 110.303 -177.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.447 HD21 ' HB3' ' A' ' 32' ' ' GLN . 96.4 mt -129.15 145.71 51.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.114 0.483 . . . . 0.0 111.535 -175.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.762 ' HB2' ' HB2' ' A' ' 45' ' ' TRP . 1.6 tt -110.28 101.16 9.92 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 175.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -80.54 112.34 17.8 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.46 -178.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.531 HD12 ' CD1' ' A' ' 43' ' ' TRP . 65.8 mt -104.57 155.85 36.77 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 109.695 -0.484 . . . . 0.0 109.695 176.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -61.4 -11.54 20.08 Favored 'Trans proline' 0 CA--C 1.532 0.382 0 C-N-CA 122.946 2.43 . . . . 0.0 113.581 -177.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -103.32 -39.21 6.9 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.766 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -164.12 168.44 19.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.042 0.448 . . . . 0.0 111.023 -176.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.5 t -93.79 122.34 45.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.657 177.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.531 ' CD1' HD12 ' A' ' 38' ' ' LEU . 62.2 m95 -109.78 150.99 27.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.887 0.375 . . . . 0.0 110.655 -178.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.01 125.42 6.86 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.446 178.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.762 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 23.2 t90 -127.1 85.85 2.42 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -177.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -76.82 80.22 3.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.358 0.599 . . . . 0.0 111.636 -170.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.5 t -131.37 107.52 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.01 173.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.7 m -81.55 -31.39 32.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.03 -173.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 50' ' ' PRO . 47.9 mttm -100.9 124.32 42.3 Favored Pre-proline 0 C--N 1.326 -0.437 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -178.033 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 49' ' ' LYS . 34.4 Cg_endo -66.78 -19.22 53.3 Favored 'Trans proline' 0 CA--C 1.527 0.157 0 C-N-CA 122.293 1.996 . . . . 0.0 110.864 171.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -79.39 -12.37 59.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.102 -0.953 . . . . 0.0 110.081 178.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 52' ' ' GLN . 33.6 tt0 -97.85 16.22 21.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.761 -171.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 65.0 mt -83.13 114.77 24.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.135 0.493 . . . . 0.0 111.084 -177.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.414 ' CG ' ' H ' ' A' ' 55' ' ' ARG . 21.2 t70 -146.51 -169.63 3.32 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 55' ' ' ARG . 7.4 mmm180 -56.06 -38.35 70.51 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.959 0.409 . . . . 0.0 110.844 177.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -58.4 -38.41 77.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.946 178.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.18 -36.82 22.56 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.099 -177.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.516 HD13 HD21 ' A' ' 90' ' ' LEU . 87.7 mt -97.46 15.36 23.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.528 -175.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -60.06 -42.13 93.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.155 0.502 . . . . 0.0 110.009 -179.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -68.01 -28.91 67.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.726 177.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.446 HG21 HD22 ' A' ' 58' ' ' LEU . 84.1 t -68.59 -49.69 62.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.634 -178.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -63.93 -36.11 82.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.093 0.473 . . . . 0.0 110.535 177.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.66 -33.41 75.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.624 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -108.55 13.05 25.6 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.356 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.86 -14.74 62.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.141 0.496 . . . . 0.0 111.11 -178.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -67.71 -15.73 63.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.99 177.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -117.56 13.31 14.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.121 0.486 . . . . 0.0 110.512 178.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.6 mt -121.0 143.14 34.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.035 -175.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.403 ' N ' ' HG2' ' A' ' 118' ' ' ARG . 13.1 t70 -123.75 -53.36 1.77 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.284 171.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.488 ' HA ' ' HB ' ' A' ' 96' ' ' VAL . 27.8 m -108.78 126.39 52.98 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.076 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.472 HD22 ' HB3' ' A' ' 120' ' ' ALA . 0.8 OUTLIER -110.24 112.55 24.59 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.534 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.489 ' HA ' ' O ' ' A' ' 98' ' ' ASP . 64.2 mt -100.04 128.57 51.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.157 -179.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.435 ' HB ' HG23 ' A' ' 99' ' ' THR . 39.0 t -116.81 120.06 63.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.514 -179.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -100.42 93.59 1.22 Allowed Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 176.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.604 HG21 ' HB3' ' A' ' 80' ' ' TRP . 22.4 p -82.89 55.26 3.0 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.14 0.495 . . . . 0.0 112.062 -173.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 77.47 -140.54 24.55 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.324 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.64 7.6 45.18 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.187 0.518 . . . . 0.0 110.701 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -127.4 163.38 24.16 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.885 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.659 HG13 ' HA ' ' A' ' 100' ' ' MET . 41.4 t -103.59 98.95 7.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.011 0.434 . . . . 0.0 109.861 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.604 ' HB3' HG21 ' A' ' 75' ' ' THR . 66.7 t90 -86.7 124.61 33.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.622 -176.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 68.7 mt -89.01 111.63 23.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.568 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.63 133.1 91.47 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.304 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -63.22 156.32 56.22 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.04 2.493 . . . . 0.0 112.094 178.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -52.46 -38.22 58.81 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.659 -178.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -51.47 -58.68 5.6 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.145 0.498 . . . . 0.0 111.151 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.468 HD11 HD12 ' A' ' 58' ' ' LEU . 37.6 tp -71.23 -40.9 70.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.804 -178.026 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -61.04 -44.87 96.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.31 -177.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -66.39 -39.33 88.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.47 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.58 -45.11 92.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.879 178.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.516 HD21 HD13 ' A' ' 58' ' ' LEU . 87.4 mt -70.11 -49.33 51.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.604 -179.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -74.3 -10.72 59.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.876 0.37 . . . . 0.0 111.0 -174.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.15 -26.11 70.14 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.044 -0.598 . . . . 0.0 111.84 174.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.687 ' HB ' HG23 ' A' ' 95' ' ' VAL . 6.3 t -97.87 7.64 8.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-O 121.507 0.67 . . . . 0.0 109.388 176.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.1 t30 66.62 23.92 10.22 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.359 -178.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.687 HG23 ' HB ' ' A' ' 93' ' ' VAL . 60.7 t -73.5 119.81 21.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.678 176.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.488 ' HB ' ' HA ' ' A' ' 70' ' ' THR . 46.3 t -71.75 110.31 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.577 -178.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 61.3 tp -91.63 114.48 27.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.559 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.489 ' O ' ' HA ' ' A' ' 72' ' ' ILE . 17.4 t70 -119.96 101.45 7.87 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.435 HG23 ' HB ' ' A' ' 73' ' ' VAL . 17.7 m -113.27 136.44 52.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.099 -176.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.659 ' HA ' HG13 ' A' ' 79' ' ' VAL . 22.7 ptp -166.63 -172.34 2.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.701 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -69.94 147.47 50.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.053 176.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.514 ' O ' HG13 ' A' ' 106' ' ' ILE . 81.6 m -53.45 -44.26 68.74 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.343 0.498 . . . . 0.0 112.343 -177.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -52.72 -66.61 2.56 Favored Glycine 0 CA--C 1.525 0.707 0 C-N-CA 121.156 -0.545 . . . . 0.0 113.038 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.6 -33.88 88.35 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.641 2.227 . . . . 0.0 112.521 175.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.05 -41.78 99.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.923 179.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.514 HG13 ' O ' ' A' ' 102' ' ' THR . 78.6 mt -59.23 -49.42 83.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.532 177.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 107' ' ' ARG . 67.1 mtt-85 -59.3 -48.03 83.15 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.817 0.341 . . . . 0.0 110.621 178.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 36.8 m -61.92 -49.44 76.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.32 -178.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -61.44 -44.9 96.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.673 -0.239 . . . . 0.0 110.98 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -56.25 -40.97 75.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.148 -178.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 69.1 mt -75.81 -44.41 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.639 178.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 76.8 mmm -60.21 -47.3 86.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.818 -178.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' A' ' 117' ' ' ARG . 11.4 tp -71.79 -22.95 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.995 0.426 . . . . 0.0 110.601 -177.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.08 -33.07 41.92 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.36 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -101.87 -68.86 0.8 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -177.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -85.75 -36.33 20.22 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -171.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.529 ' HA ' HD12 ' A' ' 113' ' ' ILE . 98.7 mtt180 66.11 -164.03 0.24 Allowed 'General case' 0 N--CA 1.463 0.203 0 O-C-N 123.611 0.569 . . . . 0.0 110.237 -175.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.403 ' HG2' ' N ' ' A' ' 69' ' ' ASP . 58.5 ttt180 56.95 32.4 21.5 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 122.386 1.089 . . . . 0.0 110.162 -178.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.01 133.71 68.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 114.836 -1.074 . . . . 0.0 109.544 178.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.472 ' HB3' HD22 ' A' ' 71' ' ' LEU . . . -116.95 136.72 52.73 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.944 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -119.47 114.74 22.75 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.083 0.468 . . . . 0.0 111.625 -176.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -95.71 99.21 11.08 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 174.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 85.8 mt -108.6 130.95 55.31 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.941 -174.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 63.0 mt -116.58 119.56 62.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.11 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -79.27 172.81 13.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.84 0.353 . . . . 0.0 110.983 178.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 28.1 m . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.439 -178.04 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.461 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 91.9 m-85 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 10' ' ' PHE . 11.5 Cg_exo -71.22 56.83 2.1 Favored 'Trans proline' 0 N--CA 1.474 0.379 0 C-N-CA 123.712 2.942 . . . . 0.0 114.06 -171.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 71.6 mtt180 49.08 65.93 1.24 Allowed 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 123.092 0.557 . . . . 0.0 112.036 176.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.555 HG21 ' HB2' ' A' ' 26' ' ' PHE . 23.5 m -90.19 103.36 16.05 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.336 -179.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -106.94 10.67 30.43 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.09 178.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -120.73 104.94 10.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.543 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 72.0 mt -99.94 133.95 41.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 176.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.28 -36.33 10.93 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.746 0.308 . . . . 0.0 111.648 -176.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.435 ' HB3' ' HB3' ' A' ' 25' ' ' TYR . . . -142.16 123.61 14.88 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -177.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.7 p90 -105.88 120.2 41.14 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 169.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.22 -150.76 19.79 Favored Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 109.963 -1.255 . . . . 0.0 109.963 -171.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt 68.96 -61.92 0.41 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 122.831 0.452 . . . . 0.0 111.321 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -142.62 8.91 2.33 Favored Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 174.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.486 ' HA3' ' HA ' ' A' ' 32' ' ' GLN . . . 131.13 -107.62 0.76 Allowed Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.349 -0.701 . . . . 0.0 111.349 -177.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -128.18 126.87 41.88 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 173.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.435 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 29.0 t80 -111.7 103.43 11.72 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.252 0.548 . . . . 0.0 109.858 174.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.555 ' HB2' HG21 ' A' ' 13' ' ' THR . 33.6 p90 -120.24 177.17 5.12 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 176.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.68 102.32 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.056 0.455 . . . . 0.0 110.981 177.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.2 -103.08 0.3 Allowed Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.402 -174.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 48.8 ttm -147.77 157.73 43.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.938 0.369 . . . . 0.0 110.311 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.45 126.58 29.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.067 0.461 . . . . 0.0 111.197 177.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 63.0 t-80 -140.91 112.42 7.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.172 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.486 ' HA ' ' HA3' ' A' ' 23' ' ' GLY . 4.0 pt20 -70.7 166.68 20.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.611 0.243 . . . . 0.0 110.615 177.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 116.41 -127.56 7.55 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.77 -0.728 . . . . 0.0 111.807 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.453 ' OG ' ' HB3' ' A' ' 45' ' ' TRP . 13.8 p -147.99 155.49 41.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.745 0.307 . . . . 0.0 110.523 178.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 96.3 mt -135.06 151.66 50.96 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.823 -178.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.1 mt -111.48 102.08 10.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.124 178.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 109' ' ' TYR . 93.5 m-85 -91.85 96.48 10.42 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.118 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.57 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 56.3 mt -84.74 162.49 50.05 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -179.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.57 ' HD2' ' HB3' ' A' ' 38' ' ' LEU . 30.0 Cg_endo -64.89 -11.21 28.39 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.367 2.044 . . . . 0.0 113.168 -178.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.504 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 35.0 t70 -113.35 -54.6 2.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.492 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -138.3 167.27 22.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.782 0.325 . . . . 0.0 110.92 -177.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.457 ' HB ' ' HB2' ' A' ' 10' ' ' PHE . 50.3 t -102.0 142.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.262 -179.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -131.81 164.71 25.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.191 177.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.49 146.9 18.35 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.479 176.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.453 ' HB3' ' OG ' ' A' ' 34' ' ' SER . 2.1 t90 -111.77 153.42 26.55 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -106.48 19.87 19.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.292 0.567 . . . . 0.0 111.047 -173.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.532 HG13 ' HB2' ' A' ' 52' ' ' GLN . 56.0 t -99.64 135.6 34.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.456 -176.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.9 m -113.51 -43.74 3.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.093 0.473 . . . . 0.0 110.506 177.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.421 ' HB2' ' HG3' ' A' ' 52' ' ' GLN . 44.3 mtpt -99.96 142.51 24.76 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.665 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -57.08 -29.73 84.19 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.694 2.263 . . . . 0.0 112.111 175.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -64.46 -24.63 67.69 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.154 176.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.532 ' HB2' HG13 ' A' ' 47' ' ' VAL . 98.5 mt-30 -81.83 4.25 22.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.621 -174.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 71.7 mt -73.38 95.58 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 173.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.495 ' H ' ' HB2' ' A' ' 57' ' ' SER . 15.9 t70 -123.08 163.98 19.49 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.649 -174.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -58.37 -34.54 70.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.37 . . . . 0.0 110.934 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -86.61 -14.65 42.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.222 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.495 ' HB2' ' H ' ' A' ' 54' ' ' ASP . 17.4 m -79.26 -28.58 42.39 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 170.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.5 mt -92.23 24.38 3.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.946 175.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -54.85 -47.77 73.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.716 -175.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' A' ' 60' ' ' ARG . 43.1 ttm180 -71.36 -20.99 62.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.107 0.48 . . . . 0.0 110.442 -178.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 99.9 t -73.15 -38.8 55.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.806 176.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -75.16 -22.18 58.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.757 176.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.47 -49.17 72.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.317 0.579 . . . . 0.0 109.709 174.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.497 ' HB3' ' HB3' ' A' ' 67' ' ' ALA . 19.8 m120 -100.93 40.59 1.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.9 175.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.03 -60.72 2.27 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -171.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -86.67 1.97 50.13 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.177 0.513 . . . . 0.0 110.946 -173.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.497 ' HB3' ' HB3' ' A' ' 64' ' ' ASN . . . -85.5 -23.93 27.55 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 171.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.456 HD11 HD22 ' A' ' 38' ' ' LEU . 69.0 mt -102.21 85.97 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.022 173.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.423 ' HB3' ' HG2' ' A' ' 118' ' ' ARG . 12.9 t70 -74.66 -42.43 58.51 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.207 0.527 . . . . 0.0 110.203 -176.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 77.4 m -114.98 127.26 55.57 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.915 174.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.6 tp -117.22 111.12 18.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.015 0.436 . . . . 0.0 110.224 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 59.4 mt -98.08 124.58 51.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.718 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 66.9 t -111.67 126.46 69.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.62 0.248 . . . . 0.0 110.822 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -103.47 103.22 2.31 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 175.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.2 p -68.87 -41.75 77.94 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -172.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.465 ' HA2' HG22 ' A' ' 126' ' ' VAL . . . 91.92 115.02 2.06 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.585 -0.817 . . . . 0.0 113.303 177.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 79.21 -47.22 0.39 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.108 0.963 . . . . 0.0 111.643 173.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -138.72 156.95 46.96 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.788 -178.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.0 t -90.31 99.06 8.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.938 0.399 . . . . 0.0 110.719 -178.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -76.0 130.9 39.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.9 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 6.7 tp -88.43 125.53 41.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.149 0.5 . . . . 0.0 110.734 -177.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.441 ' HA ' ' HD3' ' A' ' 83' ' ' PRO . . . -79.77 129.35 71.26 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.453 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 82' ' ' ALA . 51.4 Cg_exo -55.82 148.05 58.31 Favored 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 123.003 2.468 . . . . 0.0 112.508 179.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 84' ' ' ARG . 42.8 mtm180 -60.79 -37.64 82.59 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.904 -176.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.5 ' HA ' ' OE1' ' A' ' 85' ' ' GLN . 11.8 mm-40 -66.41 -32.47 73.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.772 0.32 . . . . 0.0 111.143 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.0 tp -69.13 -43.97 73.31 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 87' ' ' ARG . 41.8 ttm180 -66.31 -42.26 88.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.538 177.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -56.11 -45.21 79.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.207 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.481 ' O ' HG23 ' A' ' 93' ' ' VAL . . . -67.7 -46.67 71.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.278 -179.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.475 HD12 HD22 ' A' ' 97' ' ' LEU . 84.8 mt -62.53 -40.28 96.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.139 -179.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 91' ' ' ARG . 33.4 ttp180 -69.63 -27.24 64.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.02 0.438 . . . . 0.0 109.921 178.089 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -69.56 -30.51 70.95 Favored Glycine 0 C--N 1.331 0.274 0 N-CA-C 111.605 -0.598 . . . . 0.0 111.605 175.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 89' ' ' ALA . 21.2 t -82.34 -6.45 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 174.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 64.2 t30 69.86 33.89 2.73 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.572 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 70.1 t -98.51 120.93 48.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.808 175.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 49.6 t -77.15 100.87 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.866 0.365 . . . . 0.0 110.247 -179.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.475 HD22 HD12 ' A' ' 90' ' ' LEU . 45.9 tp -86.54 134.73 33.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.451 179.092 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -139.13 116.56 11.26 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 174.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.4 p -100.6 120.31 39.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.408 -177.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 72.8 mtm -140.33 -173.18 3.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.272 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -79.74 160.61 26.16 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.772 173.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.532 ' O ' HG13 ' A' ' 106' ' ' ILE . 3.2 m -59.71 -43.16 94.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.15 -173.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.69 -64.19 4.63 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 121.455 -0.403 . . . . 0.0 113.575 -177.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.39 -31.82 86.63 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.668 2.246 . . . . 0.0 112.714 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.42 -47.06 77.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.119 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 102' ' ' THR . 78.4 mt -58.12 -47.04 88.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 121.014 0.435 . . . . 0.0 110.79 179.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.418 ' O ' HG13 ' A' ' 111' ' ' ILE . 66.4 ttt180 -63.28 -47.23 83.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.926 -176.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 26.9 m -63.61 -38.13 89.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -178.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 37' ' ' PHE . 72.3 t80 -58.53 -51.63 69.05 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.652 177.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -60.54 -41.97 95.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.193 -178.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 107' ' ' ARG . 81.9 mt -60.97 -44.83 98.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.13 -179.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 22.6 mmt -71.64 -40.44 69.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.406 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.451 HD13 ' HA ' ' A' ' 117' ' ' ARG . 28.5 mm -62.67 -31.42 52.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-O 120.98 0.419 . . . . 0.0 110.927 178.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -81.79 7.08 63.45 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.544 178.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -131.41 -81.07 0.52 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 117.055 0.428 . . . . 0.0 110.894 -178.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -107.22 -17.93 14.02 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -174.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.451 ' HA ' HD13 ' A' ' 113' ' ' ILE . 44.0 mtp85 60.14 -136.79 0.69 Allowed 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -173.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.423 ' HG2' ' HB3' ' A' ' 69' ' ' ASP . 73.3 ttt180 64.31 22.16 12.71 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 122.271 1.034 . . . . 0.0 110.591 174.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 9.7 p -137.31 144.79 30.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.869 -176.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.438 ' HB2' ' HD3' ' A' ' 39' ' ' PRO . . . -128.52 152.42 48.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.427 177.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -124.35 121.43 34.95 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.003 0.43 . . . . 0.0 111.246 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -99.72 102.46 13.93 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 174.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 85.1 mt -110.24 124.36 51.47 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.695 -171.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 55.0 mt -100.57 141.84 16.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.338 173.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.61 130.32 42.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.891 0.377 . . . . 0.0 111.269 -178.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.465 HG22 ' HA2' ' A' ' 76' ' ' GLY . 46.7 t . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.282 177.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.579 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 73.4 m-85 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.579 ' HD2' ' HB3' ' A' ' 10' ' ' PHE . 2.0 Cg_endo -46.14 -40.47 21.29 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 123.024 2.483 . . . . 0.0 111.92 176.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 31.6 ttt180 61.16 86.13 0.11 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.377 172.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.9 t -144.49 147.02 32.75 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.578 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.508 ' HB1' ' HA ' ' A' ' 110' ' ' ASN . . . -100.41 10.08 41.71 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.877 177.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.84 102.57 10.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.954 -178.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.455 HD12 HG12 ' A' ' 106' ' ' ILE . 58.3 mt -94.03 100.12 10.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 174.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -79.55 -34.06 41.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.899 -171.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.3 89.43 3.13 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.093 0.473 . . . . 0.0 111.515 -176.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.471 ' OH ' HG23 ' A' ' 126' ' ' VAL . 31.7 t80 -127.9 103.0 7.02 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.24 0.543 . . . . 0.0 109.897 173.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -173.11 38.55 0.14 Allowed Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 110.301 -1.12 . . . . 0.0 110.301 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.564 ' HG2' ' H ' ' A' ' 22' ' ' GLY . 54.3 tttm -154.05 177.53 10.96 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -174.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.564 ' H ' ' HG2' ' A' ' 21' ' ' LYS . . . -74.31 66.52 1.91 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.667 -0.777 . . . . 0.0 111.864 176.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 148.11 166.45 12.75 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 121.25 -0.5 . . . . 0.0 111.916 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.403 ' O ' ' HA ' ' A' ' 30' ' ' SER . 81.3 m-85 -95.92 117.65 31.03 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 179.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -98.83 110.65 23.22 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.336 0.589 . . . . 0.0 110.203 177.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -133.66 177.42 7.72 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.214 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.55 99.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.023 0.44 . . . . 0.0 111.03 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 141.27 -78.1 0.29 Allowed Glycine 0 N--CA 1.444 -0.787 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.517 -178.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 22.5 ptp -147.93 167.85 23.78 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.767 0.318 . . . . 0.0 110.641 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 24' ' ' PHE . 5.2 p -96.03 103.52 15.41 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 171.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -84.11 110.31 18.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.491 -174.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -79.53 112.36 16.71 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 173.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 132.17 -153.66 20.66 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.144 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.531 ' HB3' ' HE3' ' A' ' 45' ' ' TRP . 15.3 m -101.27 154.29 18.9 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.886 0.374 . . . . 0.0 111.382 -177.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.419 HD23 ' HA2' ' A' ' 44' ' ' GLY . 50.5 mt -135.09 147.56 49.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.016 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.864 ' HG ' ' HB2' ' A' ' 45' ' ' TRP . 63.1 mt -110.66 99.03 8.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.094 176.147 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.535 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 86.8 m-85 -81.19 90.43 6.07 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 177.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.482 HD22 HD11 ' A' ' 68' ' ' ILE . 66.5 mt -98.7 157.1 34.82 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.162 -176.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -52.83 -29.58 43.61 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.573 2.182 . . . . 0.0 112.038 173.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -63.47 -66.03 0.6 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.181 173.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -169.37 -175.09 2.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.021 -178.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.1 t -89.93 100.73 11.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -100.03 161.81 13.37 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.642 -177.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.419 ' HA2' HD23 ' A' ' 35' ' ' LEU . . . -82.56 154.81 33.14 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.789 178.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.864 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 15.0 t90 -141.45 150.15 41.92 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -89.36 -152.93 0.25 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 53.5 t 66.68 88.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.172 0.51 . . . . 0.0 111.132 177.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 p -86.25 -27.53 24.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.966 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -105.64 122.21 43.41 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 173.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.462 ' HG2' ' OE2' ' A' ' 51' ' ' GLU . 6.9 Cg_endo -51.01 -32.9 40.41 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 123.381 2.72 . . . . 0.0 113.243 -177.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.462 ' OE2' ' HG2' ' A' ' 50' ' ' PRO . 1.9 mp0 -71.21 84.65 0.75 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.895 0.378 . . . . 0.0 110.353 176.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 178.22 -32.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.026 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 70.6 mt -44.48 107.99 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 O-C-N 124.077 0.86 . . . . 0.0 111.867 -176.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.429 ' H ' ' HB2' ' A' ' 57' ' ' SER . 2.5 p-10 -141.34 -170.97 3.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.66 -177.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -65.5 -34.23 77.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.287 -177.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.631 ' HA ' ' HG2' ' A' ' 59' ' ' GLN . 56.9 m-85 -74.19 -42.47 59.8 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.858 0.361 . . . . 0.0 110.686 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.429 ' HB2' ' H ' ' A' ' 54' ' ' ASP . 42.5 m -65.73 -21.28 66.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.923 0.392 . . . . 0.0 110.879 178.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 99.3 mt -105.22 15.86 26.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.365 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.631 ' HG2' ' HA ' ' A' ' 56' ' ' TYR . 66.0 mm-40 -65.15 -28.5 69.46 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 122.302 -0.249 . . . . 0.0 111.661 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -69.92 -25.8 63.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.175 0.512 . . . . 0.0 109.997 173.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 61.2 t -78.03 -43.54 28.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.713 175.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.457 ' HA ' ' HB2' ' A' ' 65' ' ' ALA . 40.7 m-85 -59.49 -29.65 67.98 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.231 176.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -55.38 -55.49 30.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.57 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -110.22 32.18 5.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.682 -178.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.457 ' HB2' ' HA ' ' A' ' 62' ' ' PHE . . . -69.97 -9.57 55.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.613 -177.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -71.61 -22.56 61.69 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.429 ' O ' ' HA ' ' A' ' 118' ' ' ARG . . . -103.41 3.48 35.12 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.07 0.462 . . . . 0.0 110.569 177.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.482 HD11 HD22 ' A' ' 38' ' ' LEU . 64.0 mt -114.1 105.09 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.767 -176.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -95.88 -33.54 12.17 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.358 0.599 . . . . 0.0 109.908 176.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.1 m -123.88 129.99 51.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.577 177.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.511 HD23 HD12 ' A' ' 97' ' ' LEU . 61.1 tp -118.66 105.71 11.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.037 178.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 51.2 mt -91.69 117.96 36.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.655 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.8 t -105.18 116.06 48.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 120.963 0.411 . . . . 0.0 110.647 -178.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -97.04 101.23 2.57 Favored Glycine 0 N--CA 1.442 -0.903 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 176.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.583 HG21 ' HB3' ' A' ' 80' ' ' TRP . 17.0 p -82.27 10.53 6.76 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.119 0.485 . . . . 0.0 111.984 -173.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.492 ' HA2' HG22 ' A' ' 126' ' ' VAL . . . 117.99 -137.89 13.48 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.99 178.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -88.37 -21.12 24.5 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.268 0.556 . . . . 0.0 109.905 177.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -113.15 151.38 30.96 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.419 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 91.3 t -95.07 110.35 23.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.857 0.36 . . . . 0.0 110.915 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.583 ' HB3' HG21 ' A' ' 75' ' ' THR . 54.2 t90 -75.49 137.79 41.15 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 171.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 61.8 mt -87.17 106.86 16.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.988 0.423 . . . . 0.0 110.395 -174.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.403 ' HA ' ' HD2' ' A' ' 83' ' ' PRO . . . -74.32 127.65 87.35 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.356 177.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 82' ' ' ALA . 15.0 Cg_endo -57.81 139.96 92.07 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.797 2.331 . . . . 0.0 111.837 178.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.7 mtp-105 -68.62 -13.85 62.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.852 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -62.94 -52.17 64.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.296 177.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.9 tp -70.26 -38.43 75.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.772 178.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -62.78 -43.33 99.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.631 -178.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.474 ' HA ' ' OE1' ' A' ' 88' ' ' GLU . 1.7 tp10 -70.87 -30.93 67.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.009 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.06 -43.19 93.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.362 176.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 42.9 mt -67.52 -36.31 80.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.353 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 91' ' ' ARG . 0.9 OUTLIER -68.94 -28.04 66.29 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 177.415 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -61.87 -34.71 89.72 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.489 174.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.525 ' O ' ' HB2' ' A' ' 94' ' ' ASN . 39.0 t -72.45 -80.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 172.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.525 ' HB2' ' O ' ' A' ' 93' ' ' VAL . 9.4 t30 171.02 30.02 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 114.981 -1.009 . . . . 0.0 108.947 174.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 42.2 t -118.7 108.69 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.515 -174.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.2 t -85.28 100.71 8.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.318 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.511 HD12 HD23 ' A' ' 71' ' ' LEU . 9.6 tt -88.13 125.79 34.78 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.846 178.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -134.5 134.47 41.51 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 177.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.1 p -97.54 126.77 43.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.827 -174.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.423 ' O ' ' HA2' ' A' ' 74' ' ' GLY . 88.6 mtp -142.55 -175.59 4.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.792 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.484 ' HB2' ' HD2' ' A' ' 104' ' ' PRO . 21.2 mp0 -78.95 157.99 28.08 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 174.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.565 ' O ' HG13 ' A' ' 106' ' ' ILE . 6.5 p -61.64 -45.63 93.25 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -178.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -54.11 -63.97 4.69 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 121.526 -0.369 . . . . 0.0 113.321 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.484 ' HD2' ' HB2' ' A' ' 101' ' ' GLN . 52.1 Cg_exo -55.0 -35.1 89.23 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.781 2.321 . . . . 0.0 112.7 177.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.62 -41.36 98.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.786 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.565 HG13 ' O ' ' A' ' 102' ' ' THR . 82.7 mt -59.81 -44.87 95.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.184 176.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 54.4 ttp85 -59.87 -55.6 32.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.093 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.467 ' O ' ' HG3' ' A' ' 112' ' ' MET . 62.7 m -60.78 -44.75 96.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.287 -177.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -61.44 -42.88 99.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.791 0.329 . . . . 0.0 110.56 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.508 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 27.0 t-20 -55.09 -50.66 68.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.756 178.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.34 -43.34 87.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.277 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.467 ' HG3' ' O ' ' A' ' 108' ' ' THR . 83.9 mtp -64.64 -36.34 83.94 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -175.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.404 HD13 ' HA ' ' A' ' 113' ' ' ILE . 26.5 mm -64.31 -46.36 93.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.787 0.327 . . . . 0.0 110.376 176.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -68.71 -19.39 73.12 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.961 -0.637 . . . . 0.0 111.974 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -74.49 -72.03 0.31 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 116' ' ' ARG . 35.0 ttp180 -161.75 18.71 0.11 Allowed 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 120.782 0.325 . . . . 0.0 111.359 -178.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 42.6 mtt85 61.1 -142.11 0.5 Allowed 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.802 177.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.429 ' HA ' ' O ' ' A' ' 67' ' ' ALA . 48.0 mtp180 66.36 23.5 10.66 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.594 0.712 . . . . 0.0 110.799 -179.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.439 HG11 ' HB2' ' A' ' 112' ' ' MET . 7.2 p -134.65 143.05 38.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.003 -178.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.455 ' HB1' HD23 ' A' ' 38' ' ' LEU . . . -128.51 147.01 50.66 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.986 177.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.535 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -120.66 118.42 30.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.895 0.378 . . . . 0.0 111.306 -178.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -99.28 98.94 9.85 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 175.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 88.3 mt -111.24 126.64 55.09 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.451 -172.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 56.3 mt -101.35 138.46 25.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.747 177.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.78 123.79 20.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 111.073 178.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.492 HG22 ' HA2' ' A' ' 76' ' ' GLY . 44.5 t . . . . . 0 C--N 1.325 -0.467 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.6 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.466 ' CD1' ' HB1' ' A' ' 41' ' ' ALA . 2.3 p90 . . . . . 0 CA--C 1.532 0.27 0 CA-C-O 121.07 0.462 . . . . 0.0 111.624 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 10' ' ' PHE . 94.8 Cg_endo -102.25 40.67 0.05 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 124.062 3.175 . . . . 0.0 111.498 178.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.0 ttp180 70.71 104.26 0.06 Allowed 'General case' 0 N--CA 1.463 0.195 0 O-C-N 124.005 0.816 . . . . 0.0 109.434 -170.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.8 m -90.03 103.29 15.97 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.165 0.507 . . . . 0.0 110.381 -176.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.6 9.34 43.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.688 -177.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.449 ' HA ' ' OD1' ' A' ' 110' ' ' ASN . . . -151.37 112.91 4.4 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.697 177.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.486 HD13 HD21 ' A' ' 110' ' ' ASN . 2.2 mp -78.03 131.4 34.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 175.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -70.91 -64.47 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.867 -172.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.516 ' HB3' ' HB3' ' A' ' 25' ' ' TYR . . . -133.81 146.58 50.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.145 0.498 . . . . 0.0 111.798 -175.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -142.83 149.64 38.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.617 177.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 154.63 -160.45 29.61 Favored Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 178.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 ptmm? -67.55 155.93 37.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.895 0.378 . . . . 0.0 110.628 177.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.41 -37.89 3.28 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.057 -175.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.39 157.94 7.47 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.412 ' HE1' HD12 ' A' ' 35' ' ' LEU . 7.1 p90 -77.14 153.64 34.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.945 0.402 . . . . 0.0 110.629 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.516 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 81.3 t80 -139.22 141.61 37.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.793 -172.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -126.96 177.19 6.78 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 175.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.64 97.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.037 0.446 . . . . 0.0 110.99 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.41 -79.31 0.25 Allowed Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.991 -179.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -147.86 164.1 34.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.633 0.254 . . . . 0.0 110.618 -177.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.4 p -102.77 151.05 22.85 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 174.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -138.39 112.55 8.6 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.926 0.393 . . . . 0.0 110.953 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -74.24 153.01 39.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.619 174.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 111.51 -107.44 2.15 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -175.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.606 ' HB3' ' O ' ' A' ' 45' ' ' TRP . 15.8 t -159.2 157.64 31.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.094 0.473 . . . . 0.0 110.542 177.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.466 HD23 ' HA2' ' A' ' 44' ' ' GLY . 73.6 mt -139.5 150.0 44.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.036 178.254 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.717 ' HG ' ' HB2' ' A' ' 45' ' ' TRP . 83.4 mt -100.22 99.18 9.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.47 179.309 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.543 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 66.4 m-85 -89.53 88.9 7.61 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 175.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.421 ' C ' ' H ' ' A' ' 40' ' ' ASP . 75.4 mt -87.22 160.31 48.98 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.831 -178.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 38' ' ' LEU . 67.2 Cg_endo -74.63 32.73 0.36 Allowed 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.722 2.281 . . . . 0.0 112.044 176.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.421 ' H ' ' C ' ' A' ' 38' ' ' LEU . 29.7 t70 -150.92 -58.88 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.076 -175.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.466 ' HB1' ' CD1' ' A' ' 10' ' ' PHE . . . -146.3 167.21 24.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.437 179.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.1 t -110.92 128.62 67.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -127.0 163.28 24.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.727 0.299 . . . . 0.0 111.044 -177.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.466 ' HA2' HD23 ' A' ' 35' ' ' LEU . . . -88.88 135.46 13.03 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.095 -0.574 . . . . 0.0 111.898 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.717 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 5.7 t90 -137.74 92.77 2.71 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -175.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -79.16 84.06 5.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.379 0.609 . . . . 0.0 111.637 -174.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.7 t -124.06 99.12 6.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.259 172.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.1 m -78.46 -31.5 47.95 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.534 -175.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.666 ' HB2' ' HG3' ' A' ' 52' ' ' GLN . 89.1 mttt -113.06 127.67 26.55 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -61.64 -21.11 71.28 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.578 2.185 . . . . 0.0 112.15 178.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -71.91 -7.48 48.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.43 178.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.666 ' HG3' ' HB2' ' A' ' 49' ' ' LYS . 22.4 mt-30 -95.97 12.24 31.12 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.381 -177.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.425 HG22 HD21 ' A' ' 86' ' ' LEU . 69.3 mt -81.23 116.9 26.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.325 0.583 . . . . 0.0 110.828 -179.035 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.3 p30 -153.39 -167.08 2.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.863 -176.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.0 mtp-105 -77.88 -11.77 59.92 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.658 0.266 . . . . 0.0 111.303 -179.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -80.77 -44.25 18.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.225 0.536 . . . . 0.0 109.763 177.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.6 p -74.91 -43.78 52.39 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.68 177.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.6 mt -86.34 15.59 5.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.243 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.8 tm0? -52.95 -47.89 67.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.002 0.43 . . . . 0.0 110.748 -177.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.4 ttt-85 -69.82 -30.98 68.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.125 -178.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.9 t -68.85 -40.61 81.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.552 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -65.31 -29.3 70.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.707 176.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -80.4 -40.08 27.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.938 0.399 . . . . 0.0 110.488 179.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -86.34 17.89 3.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.18 -25.69 67.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.735 -177.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -69.96 -8.47 49.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.87 0.367 . . . . 0.0 111.239 178.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.414 ' O ' ' HB3' ' A' ' 118' ' ' ARG . . . -121.64 11.88 10.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.859 179.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 79.4 mt -136.7 119.59 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.88 -177.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -112.46 -25.06 9.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.818 0.342 . . . . 0.0 110.385 175.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.2 m -125.14 126.24 44.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.422 178.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.5 tp -116.79 104.93 11.83 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 178.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 59.8 mt -99.96 116.31 42.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.2 t -107.9 113.35 43.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.089 -175.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.443 ' HA3' ' HA ' ' A' ' 102' ' ' THR . . . -85.06 94.64 1.91 Allowed Glycine 0 N--CA 1.444 -0.786 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 170.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.552 HG21 ' HB3' ' A' ' 80' ' ' TRP . 16.5 p -67.45 -13.33 61.93 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -167.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.99 121.19 1.39 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.512 -0.851 . . . . 0.0 113.494 173.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.605 ' H ' HG12 ' A' ' 126' ' ' VAL . . . 76.47 -43.78 0.47 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.257 1.023 . . . . 0.0 111.76 173.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -152.29 177.32 10.69 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.2 t -92.53 106.81 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.096 0.474 . . . . 0.0 110.871 -176.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.552 ' HB3' HG21 ' A' ' 75' ' ' THR . 83.7 t90 -92.78 117.9 30.51 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.787 178.03 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 64.3 mt -87.41 116.49 29.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.345 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.61 140.8 97.62 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.296 -178.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -53.59 147.11 40.41 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 123.05 2.5 . . . . 0.0 112.377 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -55.22 -41.58 72.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.133 -175.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 50.0 tp60 -70.54 -37.04 74.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.742 0.306 . . . . 0.0 110.819 -176.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.425 HD21 HG22 ' A' ' 53' ' ' ILE . 58.3 tp -65.58 -42.9 91.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.27 0.557 . . . . 0.0 109.703 177.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 66.2 ttt180 -62.05 -43.38 98.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.226 177.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -66.43 -33.01 74.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.195 -179.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.05 96.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.024 0.44 . . . . 0.0 110.691 177.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.561 HD12 HD22 ' A' ' 97' ' ' LEU . 95.8 mt -70.01 -42.85 72.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.801 178.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 91' ' ' ARG . 1.3 mmp_? -70.7 -21.17 62.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.456 -179.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -66.34 -38.74 93.9 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 121.173 -0.537 . . . . 0.0 112.573 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.55 ' O ' ' HB2' ' A' ' 94' ' ' ASN . 19.5 m -81.79 -45.82 20.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.316 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.55 ' HB2' ' O ' ' A' ' 93' ' ' VAL . 66.6 t30 165.74 -21.95 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.794 0 O-C-N 123.487 0.492 . . . . 0.0 111.283 -178.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 48.4 t -69.87 125.64 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.198 0.523 . . . . 0.0 111.932 -169.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.2 t -87.66 108.34 18.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.454 173.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.561 HD22 HD12 ' A' ' 90' ' ' LEU . 69.9 tp -86.36 124.41 32.68 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.546 -179.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -130.67 114.58 15.58 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.991 0.424 . . . . 0.0 110.024 178.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.7 p -98.29 133.65 42.4 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.426 -176.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 22.9 ptp -161.27 -172.92 3.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.215 179.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -75.65 157.38 33.77 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 177.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.506 ' O ' HG13 ' A' ' 106' ' ' ILE . 4.3 m -58.55 -41.94 86.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.795 -176.094 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.25 -64.86 4.01 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 121.447 -0.406 . . . . 0.0 113.399 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.27 -34.08 78.24 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.788 2.325 . . . . 0.0 112.745 177.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.26 -46.12 91.69 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.9 0.381 . . . . 0.0 110.525 178.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 102' ' ' THR . 72.8 mt -58.97 -49.22 83.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.425 176.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -54.95 -52.26 63.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.248 -179.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.3 m -61.76 -36.6 81.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.415 -176.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -63.05 -46.7 86.27 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.644 177.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.486 HD21 HD13 ' A' ' 16' ' ' ILE . 29.6 m-80 -58.35 -31.84 67.97 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.162 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 49.3 mm -77.08 -54.1 13.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.032 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.518 ' HB2' HG11 ' A' ' 119' ' ' VAL . 25.4 mmt -67.87 -29.25 68.32 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -172.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 10.9 tp -63.49 -27.39 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.959 0.409 . . . . 0.0 110.946 -177.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -71.42 -29.27 68.36 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.036 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -91.78 13.65 17.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.67 0.271 . . . . 0.0 111.215 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 60.54 24.24 13.92 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.543 178.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -71.91 138.47 48.16 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.414 ' HB3' ' O ' ' A' ' 67' ' ' ALA . 60.6 mtt180 -78.15 67.3 3.95 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.301 0.572 . . . . 0.0 110.202 -178.396 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.518 HG11 ' HB2' ' A' ' 112' ' ' MET . 3.5 p -102.54 121.91 54.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.868 -177.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -103.11 121.41 42.57 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.723 176.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.543 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -98.51 104.47 16.51 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.079 0.466 . . . . 0.0 110.908 -179.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -89.07 98.41 11.75 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 175.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 86.4 mt -101.69 110.63 22.65 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.185 -172.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 64.1 mt -93.34 134.71 30.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 174.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -75.75 146.72 39.83 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.775 -177.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.605 HG12 ' H ' ' A' ' 77' ' ' ALA . 23.2 m . . . . . 0 C--N 1.322 -0.592 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.775 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.444 ' CD2' ' HB ' ' A' ' 42' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.821 0.343 . . . . 0.0 110.226 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -104.04 161.3 0.22 Allowed 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 123.753 2.969 . . . . 0.0 113.469 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.6 mmm-85 56.38 32.31 20.32 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.659 169.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.544 ' HB ' HG21 ' A' ' 42' ' ' VAL . 8.6 m -90.1 106.23 18.34 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.879 0.371 . . . . 0.0 110.533 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.468 ' HB2' HG21 ' A' ' 113' ' ' ILE . . . -129.03 6.48 5.43 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.349 179.052 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.38 102.22 14.9 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.468 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.474 HD12 HG23 ' A' ' 106' ' ' ILE . 67.5 mt -103.03 121.39 54.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 175.394 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -80.69 -59.81 2.54 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.174 -171.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.537 ' HB3' ' HB3' ' A' ' 25' ' ' TYR . . . -126.97 153.52 45.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.015 0.436 . . . . 0.0 110.71 -178.027 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -132.5 114.06 13.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.421 -178.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 141.06 -77.4 0.3 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.357 178.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -74.65 139.81 43.82 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.928 0.394 . . . . 0.0 110.394 -179.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.35 18.83 58.97 Favored Glycine 0 CA--C 1.52 0.359 0 CA-C-N 115.489 -0.778 . . . . 0.0 112.716 -176.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.436 ' HA3' ' HA ' ' A' ' 32' ' ' GLN . . . 75.08 -104.69 1.77 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.948 -178.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -107.4 108.3 19.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.0 0.429 . . . . 0.0 110.205 176.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.537 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 85.3 t80 -103.43 120.84 41.6 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.242 178.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -135.99 177.2 8.02 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 176.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.83 96.79 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.964 0.412 . . . . 0.0 110.512 178.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 146.45 -60.9 0.47 Allowed Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.627 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 22.3 ptp -147.88 161.63 40.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.993 0.425 . . . . 0.0 111.869 -175.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.0 m -101.46 96.87 7.43 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 168.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -105.51 105.47 15.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.138 0.494 . . . . 0.0 111.569 -171.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.436 ' HA ' ' HA3' ' A' ' 23' ' ' GLY . 5.4 pm0 -84.59 159.0 20.73 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 172.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.19 -111.97 3.34 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.474 -0.87 . . . . 0.0 111.526 -178.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.505 ' OG ' ' HB3' ' A' ' 45' ' ' TRP . 20.7 p -151.74 156.17 39.75 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.19 0.519 . . . . 0.0 111.34 178.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 90.3 mt -128.85 135.9 49.73 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.963 177.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.0 tt -108.71 105.54 15.18 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.542 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 97.6 m-85 -94.65 131.53 40.33 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.777 -178.287 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.2 mt -117.85 161.08 36.01 Favored Pre-proline 0 C--N 1.318 -0.765 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 175.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -47.69 -30.47 12.7 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.168 2.578 . . . . 0.0 114.027 -176.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -137.26 19.69 2.96 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -178.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -153.15 153.54 32.98 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.791 -176.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.544 HG21 ' HB ' ' A' ' 13' ' ' THR . 59.6 t -129.34 121.58 53.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 174.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -119.97 143.67 47.9 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.938 0.399 . . . . 0.0 110.995 -177.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.57 118.21 5.17 Favored Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 173.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.505 ' HB3' ' OG ' ' A' ' 34' ' ' SER . 2.1 t90 -87.16 141.11 28.89 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -176.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -91.7 10.61 27.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.836 0.827 . . . . 0.0 111.127 -172.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 91.9 t -91.73 117.0 34.11 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.895 -175.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.0 m -108.25 -3.5 18.39 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.462 0.648 . . . . 0.0 110.172 -179.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.618 ' HB2' ' HB2' ' A' ' 52' ' ' GLN . 50.3 mttp -128.03 124.43 23.13 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.046 -178.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.28 -39.46 86.67 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.565 2.177 . . . . 0.0 112.724 178.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -84.2 9.57 12.5 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 121.363 0.601 . . . . 0.0 110.796 -178.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.618 ' HB2' ' HB2' ' A' ' 49' ' ' LYS . 53.9 tt0 -91.03 -9.28 46.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.333 0.587 . . . . 0.0 110.417 179.135 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.43 HD12 ' CZ3' ' A' ' 80' ' ' TRP . 66.1 mt -67.72 105.64 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.359 0.599 . . . . 0.0 110.891 -179.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.825 ' H ' ' HB3' ' A' ' 57' ' ' SER . 2.8 p-10 -130.38 -168.81 2.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.007 -178.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.78 -43.4 90.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.122 -178.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -80.51 -31.05 37.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.454 -176.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.825 ' HB3' ' H ' ' A' ' 54' ' ' ASP . 38.3 t -61.03 -36.8 80.52 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.254 0.549 . . . . 0.0 110.187 175.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.54 HD12 HD11 ' A' ' 86' ' ' LEU . 92.8 mt -93.53 24.83 3.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.995 179.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -52.04 -44.3 64.15 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.046 0.45 . . . . 0.0 110.744 178.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -73.12 -21.33 60.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.906 -177.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.513 HG21 HD22 ' A' ' 58' ' ' LEU . 87.0 t -80.8 -47.1 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.272 179.319 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -66.37 -33.94 76.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.846 0.355 . . . . 0.0 110.284 176.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -57.04 -54.91 41.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.27 178.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -107.7 30.19 6.53 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.27 -175.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.04 -30.59 68.14 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.617 -178.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -62.69 -23.44 67.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.486 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -98.41 -0.17 44.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.025 0.44 . . . . 0.0 111.05 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 67.4 mt -108.84 136.49 44.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.979 -176.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.41 ' HB3' ' HB2' ' A' ' 118' ' ' ARG . 4.9 t70 -116.78 -61.64 1.69 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 172.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.0 m -104.97 126.78 52.4 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.355 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.6 tp -112.34 107.19 15.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.008 0.433 . . . . 0.0 110.188 178.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 61.3 mt -94.2 113.25 28.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.917 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 80.9 t -107.75 116.54 51.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.85 0.357 . . . . 0.0 110.858 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -95.09 109.7 3.89 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 175.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.468 ' CG2' ' HB3' ' A' ' 80' ' ' TRP . 72.2 p -88.75 13.13 13.11 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -172.005 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.41 -139.3 14.46 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.524 178.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.33 -47.64 33.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.908 0.385 . . . . 0.0 111.153 -176.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -97.45 156.27 16.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.008 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.4 t -87.56 111.05 21.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -176.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.468 ' HB3' ' CG2' ' A' ' 75' ' ' THR . 58.7 t90 -88.8 123.23 33.0 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 174.414 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 11.0 tt -93.27 116.04 33.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.302 0.572 . . . . 0.0 110.148 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.69 133.67 89.15 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.757 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -51.16 136.52 45.84 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.702 2.268 . . . . 0.0 111.2 177.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.434 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 71.8 ttt180 -59.12 -35.85 74.18 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 121.217 -0.193 . . . . 0.0 111.268 -174.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -61.05 -39.37 89.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.961 0.41 . . . . 0.0 110.552 177.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.54 HD11 HD12 ' A' ' 58' ' ' LEU . 55.8 tp -72.26 -42.25 65.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.157 177.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -57.33 -51.1 70.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.711 178.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 84' ' ' ARG . 10.9 mm-40 -66.66 -30.29 70.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.203 -177.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.88 -46.68 80.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.872 0.368 . . . . 0.0 110.575 176.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.799 HD12 HD22 ' A' ' 97' ' ' LEU . 91.0 mt -70.51 -41.86 72.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.718 178.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 56.9 ttp85 -63.34 -28.01 69.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.682 -178.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -74.99 -30.71 58.82 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.454 178.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.49 HG23 HG23 ' A' ' 95' ' ' VAL . 30.1 m -96.08 29.64 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 O-C-N 122.71 -0.288 . . . . 0.0 111.287 -178.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.2 t30 77.51 0.67 2.93 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.976 171.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.49 HG23 HG23 ' A' ' 93' ' ' VAL . 65.2 t -87.38 107.45 17.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 O-C-N 122.011 -0.431 . . . . 0.0 110.873 -177.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.2 t -76.67 93.96 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.155 0.502 . . . . 0.0 109.867 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.799 HD22 HD12 ' A' ' 90' ' ' LEU . 54.3 tp -83.07 120.31 25.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.236 -177.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -129.83 125.18 35.08 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.5 p -103.87 126.04 50.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.522 -176.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 24.5 ptp -147.99 175.94 10.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.467 -177.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -72.53 159.91 33.16 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 176.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.482 ' O ' HG13 ' A' ' 106' ' ' ILE . 0.1 OUTLIER -63.14 -31.53 72.7 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -178.419 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.55 -67.06 2.41 Favored Glycine 0 CA--C 1.522 0.489 0 C-N-CA 121.117 -0.564 . . . . 0.0 112.414 178.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -57.96 -29.16 85.67 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.663 2.242 . . . . 0.0 112.485 176.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.05 -48.37 78.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.065 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' ' 102' ' ' THR . 78.8 mt -60.38 -42.53 91.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-O 120.82 0.343 . . . . 0.0 110.254 178.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -57.06 -56.02 27.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.724 177.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.5 m -64.55 -41.63 96.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.453 -175.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -61.07 -47.86 84.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.806 -0.179 . . . . 0.0 111.291 -178.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -60.33 -37.34 80.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.011 0.434 . . . . 0.0 110.59 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 76.7 mt -74.18 -43.53 50.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 178.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 17.8 mmt -61.5 -43.32 99.07 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -177.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.468 HG21 ' HB2' ' A' ' 14' ' ' ALA . 10.8 tp -68.89 -26.04 31.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.941 0.4 . . . . 0.0 110.421 -179.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -85.49 -21.67 53.36 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.161 178.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.416 ' OE2' ' HD2' ' A' ' 117' ' ' ARG . 30.1 tt0 -85.26 -4.47 59.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.14 0.495 . . . . 0.0 110.054 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 63.39 66.51 0.7 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.703 176.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.416 ' HD2' ' OE2' ' A' ' 115' ' ' GLU . 35.8 mtp-105 -127.59 170.89 12.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.03 176.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.41 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 89.8 mtt180 -84.58 86.26 7.33 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 176.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 7.6 p -120.02 137.07 55.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 121.222 0.534 . . . . 0.0 111.433 -175.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -122.14 142.27 50.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.324 -0.853 . . . . 0.0 108.886 173.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.542 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -125.78 118.46 25.6 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.016 0.436 . . . . 0.0 111.517 -175.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -103.76 95.99 6.4 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 75.5 mt -103.65 116.57 32.59 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.199 -173.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 60.3 mt -101.84 128.04 54.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.492 176.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.84 163.08 28.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.71 -178.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 19.0 m . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.52 179.71 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.482 ' HD1' ' HB1' ' A' ' 41' ' ' ALA . 68.0 m-85 . . . . . 0 N--CA 1.456 -0.133 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 10' ' ' PHE . 16.6 Cg_exo -69.06 53.55 0.84 Allowed 'Trans proline' 0 N--CA 1.476 0.497 0 C-N-CA 123.597 2.865 . . . . 0.0 114.149 -172.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 50.3 ttp180 52.94 82.38 0.07 Allowed 'General case' 0 C--O 1.235 0.308 0 C-N-CA 123.295 0.638 . . . . 0.0 111.659 174.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.435 ' HB ' ' CG2' ' A' ' 42' ' ' VAL . 20.0 m -101.03 103.4 14.52 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.186 0.517 . . . . 0.0 110.615 179.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.514 ' HB1' HG21 ' A' ' 113' ' ' ILE . . . -119.68 -25.8 5.85 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.804 177.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.34 104.61 17.12 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.837 177.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.513 ' HB ' HG23 ' A' ' 106' ' ' ILE . 57.0 mt -75.79 126.01 36.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.278 -177.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.569 ' HB3' ' HA ' ' A' ' 26' ' ' PHE . 45.0 t0 -68.57 -74.23 0.13 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.751 -173.065 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -163.48 176.62 9.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.925 0.393 . . . . 0.0 111.511 -179.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -149.1 159.32 44.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.812 176.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -138.69 -159.42 8.05 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.867 -0.683 . . . . 0.0 111.68 179.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.635 ' HD3' ' H ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -84.42 -20.07 32.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.979 0.418 . . . . 0.0 110.322 179.619 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.603 ' O ' ' HA ' ' A' ' 31' ' ' HIS . . . -101.83 37.01 3.85 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.56 179.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.02 -167.1 20.44 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.11 -179.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -79.86 156.74 27.2 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.86 0.362 . . . . 0.0 110.647 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -137.1 96.08 3.22 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.569 ' HA ' ' HB3' ' A' ' 17' ' ' ASP . 17.2 p90 -132.99 120.77 21.83 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.583 -173.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 60.87 17.21 7.55 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.291 174.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 109.58 -13.57 32.75 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.232 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 86.8 mtp -87.64 126.91 35.23 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.8 t -133.51 173.34 11.59 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.028 -173.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.603 ' HA ' ' O ' ' A' ' 22' ' ' GLY . 18.8 m-70 65.21 25.46 12.32 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.882 177.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.523 ' HG2' HD21 ' A' ' 35' ' ' LEU . 56.4 tp60 -96.47 112.82 24.42 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 175.398 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.51 -40.18 39.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.932 -0.652 . . . . 0.0 113.397 -174.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.729 ' HB2' ' HB3' ' A' ' 45' ' ' TRP . 0.9 OUTLIER -136.38 140.62 43.36 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.97 0.385 . . . . 0.0 110.963 -176.426 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.523 HD21 ' HG2' ' A' ' 32' ' ' GLN . 50.8 mt -132.11 139.6 48.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.514 ' HG ' ' HB2' ' A' ' 45' ' ' TRP . 97.6 mt -106.31 98.14 7.85 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.984 177.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.423 ' CE1' HD12 ' A' ' 123' ' ' LEU . 69.5 m-85 -86.01 94.29 9.19 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.713 -179.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.4 mt -89.27 160.17 43.19 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 175.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -72.49 44.8 0.76 Allowed 'Trans proline' 0 CA--C 1.535 0.548 0 C-N-CA 122.942 2.428 . . . . 0.0 112.983 -177.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -173.87 -57.3 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.297 0.57 . . . . 0.0 109.979 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.482 ' HB1' ' HD1' ' A' ' 10' ' ' PHE . . . -130.69 152.34 50.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.914 -177.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.435 ' CG2' ' HB ' ' A' ' 13' ' ' THR . 59.3 t -110.1 122.68 65.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.045 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 88.2 m95 -112.91 171.54 7.47 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.688 -177.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.74 153.51 21.26 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.907 -0.664 . . . . 0.0 112.59 -178.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.729 ' HB3' ' HB2' ' A' ' 34' ' ' SER . 2.8 t90 -134.88 160.33 38.59 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.571 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -121.01 29.12 7.52 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.374 0.606 . . . . 0.0 111.722 -171.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.563 HG13 ' HB2' ' A' ' 52' ' ' GLN . 74.1 t -111.25 97.81 6.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 O-C-N 121.691 -0.63 . . . . 0.0 110.852 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.2 m -86.78 -33.06 20.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.282 0.563 . . . . 0.0 110.539 -179.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -106.85 126.37 30.4 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 175.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -60.19 -11.94 17.84 Favored 'Trans proline' 0 N--CA 1.474 0.356 0 C-N-CA 122.917 2.411 . . . . 0.0 112.951 -176.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -86.45 1.92 49.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.043 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.563 ' HB2' HG13 ' A' ' 47' ' ' VAL . 52.9 mt-30 -94.4 -8.45 38.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.883 178.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 65.2 mt -68.75 104.29 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.289 0.566 . . . . 0.0 111.955 -173.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -109.62 167.91 9.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.095 173.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -55.51 -39.77 70.92 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.857 0.36 . . . . 0.0 110.742 175.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -81.42 -12.07 59.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.662 -178.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.9 m -76.78 -25.91 53.88 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 170.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.0 mt -97.12 19.42 12.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.282 177.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -53.66 -44.72 69.87 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.259 0.552 . . . . 0.0 110.889 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -71.77 -19.88 61.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.337 -177.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.6 t -87.12 -49.01 15.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.045 -176.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -59.47 -30.24 68.38 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.877 0.37 . . . . 0.0 111.447 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -68.3 -40.8 81.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.117 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -96.17 13.91 25.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.462 0.649 . . . . 0.0 110.29 -175.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.71 -16.81 43.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.534 -175.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 35.9 p30 -67.82 -22.55 65.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.766 0.317 . . . . 0.0 111.248 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -103.99 4.17 34.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.968 0.413 . . . . 0.0 110.448 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 51.0 mt -107.17 89.61 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.86 -177.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.403 ' HB3' ' HB2' ' A' ' 118' ' ' ARG . 2.7 t70 -75.13 -47.85 26.6 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.377 -0.829 . . . . 0.0 108.991 172.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.47 ' HB ' HG23 ' A' ' 119' ' ' VAL . 25.0 m -117.95 128.5 54.86 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.078 176.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 51.6 tp -110.33 111.31 22.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.002 177.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 75.2 mt -97.34 122.44 48.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.583 -179.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.6 t -104.8 106.9 21.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 175.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -99.97 98.71 1.94 Allowed Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.904 -178.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.503 ' O ' ' HA ' ' A' ' 101' ' ' GLN . 16.6 p -99.45 121.91 41.8 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.072 0.463 . . . . 0.0 111.275 -177.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -87.97 42.35 3.1 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.625 -0.797 . . . . 0.0 111.902 177.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -149.85 79.48 1.37 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 120.78 0.324 . . . . 0.0 110.616 -176.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.2 t70 66.04 -157.88 0.26 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.973 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 38.7 t -96.48 96.94 5.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 176.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 72.4 t90 -90.87 111.77 23.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.037 0.446 . . . . 0.0 110.509 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 11.0 tt -92.09 131.93 37.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.838 175.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.16 132.98 87.85 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.682 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -57.6 145.56 88.65 Favored 'Trans proline' 0 C--O 1.236 0.382 0 C-N-CA 122.818 2.345 . . . . 0.0 111.286 177.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.438 ' HD3' ' N ' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -63.41 -28.53 70.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.123 -173.606 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.438 ' N ' ' HD3' ' A' ' 84' ' ' ARG . 7.7 tt0 -60.08 -43.85 95.19 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.888 0.375 . . . . 0.0 110.048 177.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.2 tp -76.95 -44.55 30.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.397 -178.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 61.0 ttp85 -57.65 -47.97 80.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.21 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -78.94 -21.74 46.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.485 -177.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.61 -43.09 77.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.96 0.409 . . . . 0.0 109.942 173.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.62 HD12 HD22 ' A' ' 97' ' ' LEU . 96.0 mt -67.1 -34.57 77.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.364 176.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -59.91 -34.13 72.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.245 176.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -63.44 -27.39 70.74 Favored Glycine 0 CA--C 1.518 0.227 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.217 177.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.436 ' O ' ' HB2' ' A' ' 94' ' ' ASN . 8.0 t -90.86 -2.48 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.158 0.504 . . . . 0.0 109.738 178.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.471 HD22 ' N ' ' A' ' 94' ' ' ASN . 0.9 OUTLIER 73.62 23.26 2.44 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.262 179.423 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.7 t -91.2 124.96 43.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.404 179.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.2 t -78.64 109.77 13.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.36 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.62 HD22 HD12 ' A' ' 90' ' ' LEU . 63.5 tp -92.37 133.94 35.4 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.425 -177.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -142.65 129.84 20.92 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 175.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.5 t -123.01 138.78 54.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.017 0.436 . . . . 0.0 111.346 -176.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -160.79 -171.88 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.706 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.503 ' HA ' ' O ' ' A' ' 75' ' ' THR . 26.1 mp0 -80.23 159.83 25.79 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 179.227 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.479 ' O ' HG13 ' A' ' 106' ' ' ILE . 3.5 m -51.78 -47.88 64.01 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 123.552 0.533 . . . . 0.0 112.121 -176.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -54.39 -65.45 3.49 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 121.245 -0.502 . . . . 0.0 113.012 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.16 -34.42 78.57 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.713 2.275 . . . . 0.0 112.685 176.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.34 -44.71 94.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.151 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.513 HG23 ' HB ' ' A' ' 16' ' ' ILE . 77.7 mt -56.65 -49.4 78.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.106 0.479 . . . . 0.0 110.299 177.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 107' ' ' ARG . 43.4 ttp180 -61.41 -45.05 95.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.665 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 45.7 m -64.07 -45.38 89.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.269 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -65.31 -43.35 91.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.652 0.263 . . . . 0.0 110.771 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -59.49 -30.67 68.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.792 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 77.1 mt -82.06 -49.54 17.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.948 0.404 . . . . 0.0 110.829 175.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.462 ' HA ' ' HB3' ' A' ' 115' ' ' GLU . 47.9 mtt -64.59 -28.36 69.57 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -174.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.514 HG21 ' HB1' ' A' ' 14' ' ' ALA . 10.7 tp -62.82 -32.01 54.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.865 0.364 . . . . 0.0 110.505 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -89.87 -29.21 16.21 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.603 176.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.462 ' HB3' ' HA ' ' A' ' 112' ' ' MET . 31.2 tt0 -69.62 -62.37 1.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.886 0.374 . . . . 0.0 111.45 179.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.418 ' O ' ' HG3' ' A' ' 118' ' ' ARG . 60.3 mtt180 -100.72 -33.93 10.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.65 -172.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 46.7 tpt85 67.97 7.79 6.03 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.604 0.716 . . . . 0.0 110.434 -178.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' A' ' 116' ' ' ARG . 55.4 mtp180 -127.1 31.76 5.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.084 -177.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.47 HG23 ' HB ' ' A' ' 70' ' ' THR . 7.4 p -111.8 136.49 47.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.014 0.435 . . . . 0.0 111.03 -175.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -120.6 136.35 54.83 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.791 177.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.416 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -118.39 117.78 30.0 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.036 0.446 . . . . 0.0 111.503 -176.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -95.17 99.53 11.48 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 173.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.423 HD12 ' CE1' ' A' ' 37' ' ' PHE . 66.0 mt -100.96 133.39 45.51 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.143 0.497 . . . . 0.0 111.847 -172.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 64.2 mt -115.93 135.49 55.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.224 175.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.64 -174.26 2.9 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.031 0.443 . . . . 0.0 111.352 -179.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 45.7 t . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.055 179.474 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.436 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 71.4 m-85 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 121.021 0.439 . . . . 0.0 110.685 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 10' ' ' PHE . 15.5 Cg_endo -91.35 113.64 0.38 Allowed 'Trans proline' 0 N--CA 1.448 -1.154 0 C-N-CA 123.541 2.827 . . . . 0.0 112.203 -178.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' A' ' 39' ' ' PRO . 24.0 ttm-85 62.28 29.75 17.4 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.672 177.196 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.3 m -90.6 103.41 16.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.875 -178.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -108.38 24.48 12.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.78 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -103.43 103.27 13.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.176 -177.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.7 mt -100.95 112.93 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 175.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.405 ' OD1' ' HA ' ' A' ' 26' ' ' PHE . 7.0 p-10 -91.56 -8.67 46.77 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -174.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.464 ' HB3' ' HB3' ' A' ' 25' ' ' TYR . . . -154.51 124.46 6.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.085 0.469 . . . . 0.0 111.804 175.259 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -137.16 137.01 38.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.238 0.542 . . . . 0.0 110.737 175.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 152.27 -167.39 31.29 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt 64.33 -83.05 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.943 0.437 . . . . 0.0 111.046 176.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -174.65 27.28 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -165.4 168.19 39.29 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.432 -178.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -104.01 120.59 41.39 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.53 ' HA ' ' O ' ' A' ' 29' ' ' MET . 86.3 t80 -109.86 113.38 26.06 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 175.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.405 ' HA ' ' OD1' ' A' ' 17' ' ' ASP . 30.6 p90 -142.22 127.89 19.19 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.804 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 64.2 11.14 6.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.057 -0.974 . . . . 0.0 113.018 172.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 130.22 -23.53 4.6 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 119.937 -1.125 . . . . 0.0 113.967 175.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.53 ' O ' ' HA ' ' A' ' 25' ' ' TYR . 13.0 ptp -106.6 144.46 33.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 117.757 0.778 . . . . 0.0 111.304 -178.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.5 t -117.18 100.44 7.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.222 176.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -108.35 121.18 44.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.679 0.276 . . . . 0.0 110.517 -176.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -86.41 152.67 22.51 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.002 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.91 -132.09 10.94 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.29 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.491 ' HB3' ' HE3' ' A' ' 45' ' ' TRP . 40.2 m -121.09 154.14 36.52 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.808 0.337 . . . . 0.0 110.896 -177.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 88.6 mt -138.52 152.33 48.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.844 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.873 ' HG ' ' HB2' ' A' ' 45' ' ' TRP . 82.8 mt -110.69 104.56 13.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.305 178.127 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.462 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 97.1 m-85 -90.33 98.58 11.86 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.2 mt -92.07 155.89 42.62 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.667 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.518 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 36.1 Cg_exo -61.82 -10.68 17.97 Favored 'Trans proline' 0 CA--C 1.53 0.288 0 C-N-CA 122.959 2.439 . . . . 0.0 113.521 -176.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -120.38 -24.63 5.83 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -177.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -164.43 161.03 21.25 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.814 0.34 . . . . 0.0 111.424 -178.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.1 t -104.68 128.64 58.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.429 179.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -129.09 174.85 9.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.456 179.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.51 156.17 22.5 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.309 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.873 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 12.3 t90 -131.06 122.33 26.55 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -90.86 74.05 6.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.374 0.607 . . . . 0.0 111.969 -172.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.9 t -135.05 116.04 19.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 168.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.7 m -83.82 -32.6 25.21 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 120.892 0.377 . . . . 0.0 111.905 -170.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.478 ' HE3' ' HB2' ' A' ' 49' ' ' LYS . 30.6 ttmt -138.33 125.95 13.66 Favored Pre-proline 0 C--N 1.323 -0.567 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.605 -175.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.467 ' HD3' HG21 ' A' ' 124' ' ' ILE . 25.6 Cg_endo -62.65 92.7 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.061 2.507 . . . . 0.0 112.308 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -179.16 -49.67 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.067 -0.97 . . . . 0.0 108.926 -177.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -96.21 51.47 1.22 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.142 -175.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 57.8 mt -92.3 118.17 37.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.339 173.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -134.23 -171.6 2.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.612 -174.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.521 ' HG3' ' CE2' ' A' ' 62' ' ' PHE . 18.4 ttt180 -72.46 -23.55 61.07 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -174.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -78.59 -31.78 47.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.986 0.422 . . . . 0.0 110.522 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.4 p -83.94 -28.02 28.13 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.962 0.411 . . . . 0.0 110.724 178.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 88.3 mt -91.52 9.6 31.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.906 175.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -62.12 -32.92 73.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.934 0.397 . . . . 0.0 111.028 -175.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.42 ' HD3' ' CD1' ' A' ' 36' ' ' LEU . 40.4 mtt85 -60.57 -31.31 70.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.12 175.341 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.487 HG11 HD22 ' A' ' 71' ' ' LEU . 64.0 t -76.52 -40.7 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.794 -178.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.521 ' CE2' ' HG3' ' A' ' 55' ' ' ARG . 74.3 m-85 -62.85 -32.41 73.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.558 -178.17 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -77.01 -50.1 13.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.059 0.457 . . . . 0.0 110.447 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -86.26 20.9 2.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.294 0.569 . . . . 0.0 110.754 -175.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.32 -9.83 27.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.078 0.466 . . . . 0.0 111.433 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -75.92 -22.54 55.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.527 176.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -112.35 -28.17 8.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.424 178.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 62.9 mt -87.97 87.58 2.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.308 177.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -82.69 -58.0 3.08 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.659 176.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.6 m -104.2 123.93 48.21 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.541 176.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.487 HD22 HG11 ' A' ' 61' ' ' VAL . 56.4 tp -115.45 128.07 55.78 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.041 0.448 . . . . 0.0 110.916 -177.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 74.4 mt -115.76 124.29 72.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.853 178.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.614 ' HB ' HG22 ' A' ' 99' ' ' THR . 92.8 t -116.8 120.81 66.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.925 0.393 . . . . 0.0 110.626 178.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -95.63 109.16 3.79 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 176.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.601 HG21 ' HB3' ' A' ' 80' ' ' TRP . 25.6 p -88.21 29.97 0.91 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.024 0.44 . . . . 0.0 111.929 -174.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.18 -133.65 11.97 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.17 178.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.69 -18.42 21.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.089 0.471 . . . . 0.0 110.781 179.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -99.17 162.25 13.16 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.1 t -108.94 107.95 24.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 120.837 0.351 . . . . 0.0 111.429 -175.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.601 ' HB3' HG21 ' A' ' 75' ' ' THR . 88.2 t90 -105.02 112.88 26.17 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 174.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 7.8 tp -87.08 134.64 27.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.716 -178.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.425 ' HA ' ' HD3' ' A' ' 83' ' ' PRO . . . -68.15 123.85 88.3 Favored Pre-proline 0 C--O 1.236 0.388 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.452 178.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 82' ' ' ALA . 33.1 Cg_exo -58.2 156.34 30.43 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 123.175 2.583 . . . . 0.0 112.392 -178.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.505 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 40.8 ttm180 -62.72 -45.66 91.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.973 -177.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -56.77 -41.58 77.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.917 0.389 . . . . 0.0 110.854 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.7 tp -67.31 -45.04 77.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.341 177.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.3 ttm180 -61.5 -40.18 93.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.472 -179.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 84' ' ' ARG . 33.5 mm-40 -59.34 -45.68 90.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.818 0.342 . . . . 0.0 110.482 177.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.27 96.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.865 178.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 66.4 mt -62.19 -46.9 86.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.305 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 91' ' ' ARG . 37.5 ttp-105 -67.52 -21.4 65.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.052 0.454 . . . . 0.0 110.491 -177.424 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -70.09 -19.25 75.42 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.845 175.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.401 ' O ' ' HB3' ' A' ' 94' ' ' ASN . 3.0 t -110.32 17.58 7.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 178.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.401 ' HB3' ' O ' ' A' ' 93' ' ' VAL . 8.4 t30 77.69 -11.45 1.2 Allowed 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.935 176.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 48.2 t -65.21 110.76 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.99 0.424 . . . . 0.0 111.557 -175.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 37.7 t -90.65 93.48 4.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.773 176.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.489 HD11 HG23 ' A' ' 73' ' ' VAL . 31.4 tp -102.64 126.64 49.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.245 0.545 . . . . 0.0 112.044 -176.224 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -126.94 135.07 50.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.58 172.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.614 HG22 ' HB ' ' A' ' 73' ' ' VAL . 33.1 p -108.96 142.04 40.18 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.784 0.326 . . . . 0.0 110.947 -177.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -162.26 -174.38 4.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.907 178.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -66.29 151.25 47.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.462 176.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.472 ' O ' HG13 ' A' ' 106' ' ' ILE . 17.5 m -63.36 -29.8 71.05 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.474 -177.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -57.24 -67.11 2.38 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 121.173 -0.537 . . . . 0.0 112.83 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -58.35 -28.27 84.21 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.83 2.353 . . . . 0.0 112.51 175.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.78 -49.44 72.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.845 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 102' ' ' THR . 79.2 mt -58.68 -43.96 88.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.524 178.189 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 69.8 mtt85 -57.52 -53.57 56.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.339 178.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.8 m -63.49 -43.62 96.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.66 -177.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -63.49 -47.76 80.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.999 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -53.76 -48.38 69.78 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.348 0.405 . . . . 0.0 111.549 -177.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 70.3 mt -69.66 -47.86 68.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.1 0.476 . . . . 0.0 110.753 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 12.6 tpt -64.49 -42.64 95.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.676 -175.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.782 ' HA ' ' HA ' ' A' ' 117' ' ' ARG . 10.1 tp -68.24 -28.57 41.3 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-O 121.031 0.443 . . . . 0.0 110.631 -177.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -77.69 -43.02 15.85 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.455 -0.879 . . . . 0.0 111.71 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -74.42 -60.27 2.35 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -176.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.59 ' O ' ' HG2' ' A' ' 117' ' ' ARG . 47.7 mtt180 -121.49 -17.16 7.63 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.176 0.435 . . . . 0.0 112.176 -172.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.782 ' HA ' ' HA ' ' A' ' 113' ' ' ILE . 2.2 ptp180 45.55 36.54 2.58 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.717 0.807 . . . . 0.0 112.196 -179.181 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -94.55 23.79 5.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.466 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 14.4 p -133.67 149.58 31.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.036 -171.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -124.19 142.05 51.55 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 172.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.462 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -117.08 120.1 37.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.091 0.472 . . . . 0.0 112.08 -174.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.561 ' HB3' HG22 ' A' ' 73' ' ' VAL . . . -105.3 97.19 7.07 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 172.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 87.9 mt -105.8 128.57 53.81 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.417 -171.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.467 HG21 ' HD3' ' A' ' 50' ' ' PRO . 35.6 mt -102.74 144.35 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.41 175.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -72.65 156.96 38.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.938 0.399 . . . . 0.0 110.893 178.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 17.8 m . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.8 178.12 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 . . . . . 0 C--O 1.232 0.147 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.44 ' HA ' ' O ' ' A' ' 40' ' ' ASP . 71.7 Cg_endo -87.59 89.37 0.56 Allowed 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.87 2.38 . . . . 0.0 113.625 -173.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 12' ' ' ARG . 33.0 ttp-105 63.57 104.43 0.03 OUTLIER 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.796 170.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.4 m -90.0 103.3 15.98 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 171.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.9 -45.59 10.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.917 0.389 . . . . 0.0 111.402 -175.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -96.42 102.68 14.5 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.603 -179.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.428 ' HB ' ' CG2' ' A' ' 106' ' ' ILE . 45.0 mt -99.8 140.94 17.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -99.89 -167.45 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.386 -176.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.63 147.93 5.93 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -178.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -133.42 157.79 44.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.991 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.96 -83.13 0.32 Allowed Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.217 177.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.475 ' HA ' ' HD3' ' A' ' 21' ' ' LYS . 26.1 mmtp -73.44 106.36 5.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.235 0.54 . . . . 0.0 110.792 -179.114 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.59 -3.29 71.38 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.874 -177.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.44 ' HA3' ' O ' ' A' ' 32' ' ' GLN . . . 99.77 -126.56 8.96 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.896 -0.668 . . . . 0.0 111.762 -178.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -99.01 124.36 43.94 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 176.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -125.07 103.6 8.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.483 -174.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -142.57 177.22 8.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.48 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.04 97.18 3.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.311 0.577 . . . . 0.0 111.195 -176.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 154.09 -74.24 0.24 Allowed Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 58.5 mtt -140.77 141.79 34.79 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 173.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.8 m -132.65 113.13 12.65 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.68 -178.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 175.06 171.39 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.134 -176.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.44 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 32.1 mt-30 71.71 149.33 0.09 Allowed 'General case' 0 N--CA 1.467 0.421 0 O-C-N 124.096 0.872 . . . . 0.0 112.124 174.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.6 1.63 69.22 Favored Glycine 0 N--CA 1.445 -0.717 0 CA-C-N 115.454 -0.794 . . . . 0.0 112.457 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.572 ' HB2' ' O ' ' A' ' 45' ' ' TRP . 49.3 m -156.29 148.23 23.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.951 0.405 . . . . 0.0 110.483 178.116 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 82.3 mt -139.76 142.09 36.79 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.939 176.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.3 tt -105.42 105.07 14.94 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.552 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 99.2 m-85 -96.3 111.33 23.44 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.061 -177.254 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.558 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 94.3 mt -89.74 163.64 31.96 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 171.198 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.558 ' HD2' ' HB3' ' A' ' 38' ' ' LEU . 33.3 Cg_endo -65.48 11.9 0.13 Allowed 'Trans proline' 0 CA--C 1.535 0.572 0 C-N-CA 122.679 2.253 . . . . 0.0 114.286 -177.576 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.44 ' O ' ' HA ' ' A' ' 11' ' ' PRO . 14.4 t70 -162.54 -40.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.882 0.372 . . . . 0.0 110.859 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.428 ' O ' ' HB2' ' A' ' 38' ' ' LEU . . . -106.81 135.65 47.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.828 0.347 . . . . 0.0 111.439 -177.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.6 t -102.22 127.29 55.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.246 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 65.3 m95 -120.03 145.3 46.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.949 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -83.75 131.89 10.71 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 176.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.572 ' O ' ' HB2' ' A' ' 34' ' ' SER . 0.8 OUTLIER -119.95 104.59 10.29 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -174.31 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -78.93 84.73 4.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.292 0.567 . . . . 0.0 110.818 -177.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.466 HG13 ' HB3' ' A' ' 52' ' ' GLN . 92.7 t -134.62 143.7 36.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.436 179.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.8 m -130.87 -5.55 4.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.338 0.589 . . . . 0.0 110.694 177.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -136.18 137.06 23.72 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.227 -178.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -62.66 -19.69 68.81 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.3 2.0 . . . . 0.0 110.948 173.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -72.22 -12.81 61.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.828 178.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.466 ' HB3' HG13 ' A' ' 47' ' ' VAL . 39.5 tt0 -91.71 19.37 6.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.002 -173.221 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 64.3 mt -102.28 103.52 15.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.239 0.543 . . . . 0.0 111.707 -176.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -121.87 178.09 5.02 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 174.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -64.51 -25.54 68.04 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 176.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -65.41 -40.65 93.65 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.0 174.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.5 m -69.33 -33.08 72.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.116 178.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 87.5 mt -94.93 27.22 3.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.661 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -54.18 -41.73 68.86 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.41 -177.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -66.92 -36.39 82.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.847 0.356 . . . . 0.0 110.851 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.518 HG11 HD22 ' A' ' 71' ' ' LEU . 61.4 t -68.93 -42.64 82.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.006 -176.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -70.74 -20.13 62.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.762 0.315 . . . . 0.0 111.389 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -84.43 -51.31 7.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.047 0.451 . . . . 0.0 110.491 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -90.22 25.8 2.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.535 -179.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.68 -37.38 68.23 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -173.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -57.96 -39.64 78.63 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.056 0.455 . . . . 0.0 110.611 -178.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.77 -11.72 55.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.714 -175.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.8 mt -103.28 108.67 24.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.963 0.411 . . . . 0.0 110.802 -178.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -92.69 -43.2 9.2 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.284 0.564 . . . . 0.0 109.808 177.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.6 m -120.27 126.73 51.31 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.75 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.518 HD22 HG11 ' A' ' 61' ' ' VAL . 61.3 tp -111.92 105.13 13.48 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.875 178.25 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 61.0 mt -95.02 119.41 43.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.08 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.3 t -111.81 117.78 56.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.506 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.556 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -93.99 107.92 3.6 Favored Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 176.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 22.2 p -89.06 30.2 0.97 Allowed 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -173.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.46 -74.66 2.49 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.422 178.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -137.75 -68.75 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.872 0.368 . . . . 0.0 110.68 -178.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -81.62 137.0 35.53 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.105 179.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.682 HG13 ' HB ' ' A' ' 99' ' ' THR . 87.4 t -74.34 122.52 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.083 0.468 . . . . 0.0 110.837 -178.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 77.6 t90 -98.58 128.53 44.93 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.903 178.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 64.3 mt -91.41 116.88 33.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.401 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.01 155.66 71.53 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.222 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.458 ' HD2' HD23 ' A' ' 86' ' ' LEU . 85.2 Cg_exo -49.07 141.78 21.92 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.926 2.417 . . . . 0.0 112.344 177.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 75.8 mtt85 -50.03 -50.23 48.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.488 -175.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -77.5 -21.4 52.83 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.519 -176.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.458 HD23 ' HD2' ' A' ' 83' ' ' PRO . 55.1 tp -75.64 -39.83 57.15 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 175.178 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -59.76 -47.84 84.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.757 174.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.41 -41.33 98.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.735 178.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.484 ' O ' HG23 ' A' ' 93' ' ' VAL . . . -56.53 -49.2 75.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.85 -53.55 56.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.388 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -65.0 -26.67 68.39 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.707 0.289 . . . . 0.0 111.544 -177.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.89 -29.32 75.03 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.815 176.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 89' ' ' ALA . 5.6 t -94.68 16.51 1.86 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-O 121.145 0.498 . . . . 0.0 109.823 179.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.469 ' HB3' ' O ' ' A' ' 93' ' ' VAL . 8.8 t30 80.12 -13.49 0.94 Allowed 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.428 177.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 43.1 t -68.6 105.55 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.136 0.493 . . . . 0.0 110.958 -178.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 66.3 t -76.74 113.2 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.625 179.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 63.6 tp -80.02 116.84 20.38 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.643 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -118.68 112.34 19.68 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.305 178.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.682 ' HB ' HG13 ' A' ' 79' ' ' VAL . 7.6 p -97.55 118.17 33.45 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.518 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.556 ' O ' ' HA2' ' A' ' 74' ' ' GLY . 49.2 tpp -141.46 163.45 32.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.339 -173.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -65.4 140.64 58.66 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 171.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.54 ' O ' HG13 ' A' ' 106' ' ' ILE . 19.9 m -55.04 -45.4 75.21 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -172.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -54.17 -68.27 1.74 Allowed Glycine 0 CA--C 1.525 0.671 0 C-N-CA 121.269 -0.491 . . . . 0.0 113.48 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.19 -36.16 84.92 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.509 2.139 . . . . 0.0 112.277 176.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.76 -39.83 90.21 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 120.768 0.318 . . . . 0.0 111.064 178.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.54 HG13 ' O ' ' A' ' 102' ' ' THR . 76.5 mt -58.31 -45.67 89.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.281 176.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -67.71 -40.63 84.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.8 m -57.87 -46.44 84.85 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.2 0.524 . . . . 0.0 110.047 176.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -62.16 -46.73 87.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.814 177.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -53.07 -45.52 68.17 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.712 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 66.4 mt -71.02 -48.81 53.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.828 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 46.2 tpp -65.87 -36.38 83.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.95 -174.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.417 HD11 ' HA ' ' A' ' 39' ' ' PRO . 11.2 tp -67.43 -24.65 31.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.775 0.321 . . . . 0.0 111.123 -176.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -96.13 -16.79 36.84 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.104 178.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -88.48 -63.75 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.95 0.405 . . . . 0.0 111.071 -177.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.449 ' O ' ' HB2' ' A' ' 117' ' ' ARG . 15.6 ttm180 -128.27 -22.03 3.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.062 -172.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' A' ' 116' ' ' ARG . 84.0 mtt85 66.05 -142.78 0.18 Allowed 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 -171.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 63.72 21.57 12.74 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.259 0.552 . . . . 0.0 110.756 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 9.3 p -126.73 140.15 49.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.554 -175.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -121.91 137.47 54.77 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.345 174.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.552 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -113.36 110.39 20.26 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.076 0.465 . . . . 0.0 111.337 -176.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -97.25 95.09 7.48 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 173.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 96.0 mt -104.76 120.91 42.48 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.562 -171.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 55.3 mt -109.26 142.83 20.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.455 176.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -92.53 177.8 6.01 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 176.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 30.5 m . . . . . 0 C--N 1.324 -0.521 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 178.276 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 . . . . . 0 C--O 1.231 0.126 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.1 33.65 0.21 Allowed 'Trans proline' 0 N--CA 1.478 0.606 0 C-N-CA 123.383 2.722 . . . . 0.0 114.115 -173.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 54.23 40.3 31.57 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.4 0.619 . . . . 0.0 110.675 177.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.0 t -90.2 143.36 26.84 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.594 -178.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.38 5.17 9.66 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.573 176.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.57 107.14 19.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.973 -178.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.514 HD12 HG23 ' A' ' 106' ' ' ILE . 68.2 mt -76.89 108.0 9.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 173.244 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.566 ' HB3' ' HA ' ' A' ' 26' ' ' PHE . 16.0 t70 -63.99 -60.63 3.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.282 -172.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.413 ' HB3' ' HD2' ' A' ' 25' ' ' TYR . . . -145.62 159.1 43.64 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 -178.472 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.473 ' OH ' HG22 ' A' ' 126' ' ' VAL . 75.7 t80 -114.3 115.29 27.16 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 175.1 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.89 -170.8 16.06 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.476 -0.868 . . . . 0.0 112.471 -175.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -89.46 119.8 30.22 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.76 -14.39 29.43 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.688 -176.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 152.25 -171.84 31.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.792 177.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -76.23 157.42 32.64 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.784 0.326 . . . . 0.0 110.781 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.413 ' HD2' ' HB3' ' A' ' 18' ' ' ALA . 86.9 t80 -137.36 131.66 32.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.986 -178.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.566 ' HA ' ' HB3' ' A' ' 17' ' ' ASP . 42.9 p90 -142.49 177.22 8.43 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 171.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.77 103.89 0.3 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.948 0.404 . . . . 0.0 111.19 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 121.18 -99.72 0.71 Allowed Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.246 179.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 26.8 ttt -89.47 152.47 21.44 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.698 0.285 . . . . 0.0 110.485 -176.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.7 p -158.56 -171.79 3.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.133 -177.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 64.4 t60 69.29 24.81 5.79 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 122.133 0.968 . . . . 0.0 109.714 -178.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.735 HE21 HD21 ' A' ' 35' ' ' LEU . 19.6 mt-30 -93.69 106.59 18.55 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.403 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.04 -42.74 7.45 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.917 -0.659 . . . . 0.0 113.198 -174.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.497 ' OG ' ' HB3' ' A' ' 45' ' ' TRP . 22.7 t -114.33 115.8 27.95 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -178.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.735 HD21 HE21 ' A' ' 32' ' ' GLN . 86.7 mt -132.52 137.29 47.11 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.223 0.535 . . . . 0.0 111.699 -176.639 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.485 HD23 ' HD2' ' A' ' 60' ' ' ARG . 56.7 tp -106.25 100.63 10.15 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.404 -0.816 . . . . 0.0 108.87 174.039 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.506 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 90.0 m-85 -83.11 102.68 11.99 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.534 -178.035 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.441 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 80.1 mt -89.3 152.05 47.22 Favored Pre-proline 0 C--N 1.319 -0.723 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 174.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 38' ' ' LEU . 15.0 Cg_exo -69.98 39.17 0.28 Allowed 'Trans proline' 0 CA--C 1.534 0.493 0 C-N-CA 123.368 2.712 . . . . 0.0 113.482 -175.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -170.2 -35.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.93 0.395 . . . . 0.0 110.726 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -146.57 146.74 30.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -178.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 37.7 t -97.58 126.71 50.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.066 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 99.7 m95 -119.59 152.57 36.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.832 0.349 . . . . 0.0 110.961 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -84.38 127.1 7.94 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.499 175.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.497 ' HB3' ' OG ' ' A' ' 34' ' ' SER . 2.3 t90 -93.64 152.04 19.26 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 -177.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -97.89 16.96 19.3 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.624 0.726 . . . . 0.0 111.152 -172.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.565 HG13 ' HB2' ' A' ' 52' ' ' GLN . 90.0 t -114.55 95.6 3.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.302 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.0 m -89.31 -30.39 18.47 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.019 0.438 . . . . 0.0 111.018 -176.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 54.6 mtmt -113.53 133.79 22.11 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 176.037 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 49' ' ' LYS . 31.6 Cg_exo -59.39 174.6 1.01 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.144 2.563 . . . . 0.0 113.155 -178.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 75.95 -7.82 1.73 Allowed 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.004 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.565 ' HB2' HG13 ' A' ' 47' ' ' VAL . 46.9 mt-30 -93.92 23.24 5.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.193 0.52 . . . . 0.0 110.101 175.098 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 59.2 mt -86.78 102.11 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.733 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -132.3 172.73 12.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.322 -175.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.9 mtp85 -53.94 -37.26 63.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.146 176.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -63.49 -44.54 94.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.693 176.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -68.24 -34.1 75.59 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.168 -177.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.4 mt -99.75 15.04 28.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.332 -176.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -60.47 -35.31 75.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.824 0.345 . . . . 0.0 110.888 -176.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.485 ' HD2' HD23 ' A' ' 36' ' ' LEU . 39.6 ttm-85 -66.66 -30.32 70.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.391 178.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.51 HG11 HD22 ' A' ' 71' ' ' LEU . 77.2 t -66.73 -39.23 83.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.017 178.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -64.82 -34.73 79.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.83 176.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -75.37 -44.13 46.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.429 -178.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -92.07 23.52 3.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.68 0.276 . . . . 0.0 111.17 -178.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.05 -23.82 64.05 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -176.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -76.53 -0.99 25.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.71 0.291 . . . . 0.0 111.258 -178.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -126.08 5.14 7.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.913 0.387 . . . . 0.0 110.573 177.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.6 mt -119.43 111.81 34.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.084 -176.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.447 ' HB2' ' HE ' ' A' ' 118' ' ' ARG . 23.2 t70 -95.17 -52.26 4.27 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.266 174.138 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.0 m -112.68 133.04 54.91 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.235 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.51 HD22 HG11 ' A' ' 61' ' ' VAL . 64.3 tp -113.75 100.59 8.58 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 177.334 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 65.7 mt -91.64 117.72 35.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.147 -0.478 . . . . 0.0 109.967 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 40.0 t -107.99 115.37 48.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.322 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.568 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -93.06 101.09 2.73 Favored Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 178.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.601 HG21 ' HB3' ' A' ' 80' ' ' TRP . 33.6 p -94.54 40.25 1.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -172.222 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.43 -138.14 15.56 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.522 176.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -101.87 10.24 39.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.982 0.42 . . . . 0.0 110.789 -177.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -131.27 149.27 52.64 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.973 -177.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.8 t -84.95 108.61 17.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.905 0.384 . . . . 0.0 110.517 -179.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.601 ' HB3' HG21 ' A' ' 75' ' ' THR . 80.4 t90 -91.85 120.7 32.79 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 65.6 mt -87.45 117.43 31.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.369 -177.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.63 131.13 80.27 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.503 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -54.09 143.9 60.47 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 123.013 2.475 . . . . 0.0 112.001 178.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.644 ' HG2' HH21 ' A' ' 87' ' ' ARG . 68.3 mtm-85 -62.45 -30.54 71.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.439 -175.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -62.09 -50.43 71.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.022 0.439 . . . . 0.0 110.496 175.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.2 tp -66.49 -42.61 87.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.7 -179.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.644 HH21 ' HG2' ' A' ' 84' ' ' ARG . 63.1 ttp85 -64.66 -45.16 87.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.226 -178.131 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -65.6 -35.3 80.42 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.38 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.578 ' O ' HG23 ' A' ' 93' ' ' VAL . . . -59.92 -52.44 65.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.507 177.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.648 HD12 HD22 ' A' ' 97' ' ' LEU . 97.2 mt -61.44 -39.29 90.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.49 177.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -59.69 -38.9 82.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.411 178.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -69.56 -23.54 76.57 Favored Glycine 0 N--CA 1.452 -0.262 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.402 178.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 89' ' ' ALA . 17.3 t -86.4 7.79 2.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-O 121.464 0.65 . . . . 0.0 109.535 177.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 74.93 13.1 3.41 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.819 178.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 57.8 t -96.72 113.22 30.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.098 178.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.4 t -77.04 103.23 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.927 0.394 . . . . 0.0 110.284 178.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.648 HD22 HD12 ' A' ' 90' ' ' LEU . 68.1 tp -77.89 124.59 28.19 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.836 -178.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -136.8 116.57 13.07 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.843 178.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.45 HG21 ' O ' ' A' ' 80' ' ' TRP . 6.1 m -101.71 138.08 39.17 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.429 -178.2 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.568 ' O ' ' HA2' ' A' ' 74' ' ' GLY . 48.3 ttm -154.57 158.75 40.24 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -176.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -65.53 144.55 56.93 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 174.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.481 ' O ' HG13 ' A' ' 106' ' ' ILE . 22.7 m -53.27 -40.92 65.03 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -172.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.58 -67.29 2.29 Favored Glycine 0 CA--C 1.522 0.503 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.631 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.424 ' HB2' ' SD ' ' A' ' 100' ' ' MET . 35.5 Cg_exo -58.64 -25.93 77.14 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.751 2.301 . . . . 0.0 112.592 176.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.98 -40.68 91.41 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.679 0.275 . . . . 0.0 110.857 177.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.514 HG23 HD12 ' A' ' 16' ' ' ILE . 86.2 mt -61.87 -42.42 94.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.266 0.555 . . . . 0.0 109.603 174.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.416 ' O ' HG13 ' A' ' 111' ' ' ILE . 28.5 tpt180 -57.96 -55.35 36.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.049 177.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.2 p -66.59 -42.11 87.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.753 -176.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.401 ' O ' HG12 ' A' ' 113' ' ' ILE . 61.8 t80 -59.57 -43.56 93.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.751 0.31 . . . . 0.0 110.684 178.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -61.39 -37.59 83.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.597 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 107' ' ' ARG . 75.7 mt -72.2 -40.22 65.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.052 0.453 . . . . 0.0 110.729 178.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.408 ' HA ' ' HB3' ' A' ' 115' ' ' GLU . 51.5 mtt -70.82 -4.2 22.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.238 -177.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 109' ' ' TYR . 44.4 mm -67.68 -56.05 14.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 175.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -77.15 -12.38 84.67 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.806 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.408 ' HB3' ' HA ' ' A' ' 112' ' ' MET . 34.3 tt0 -94.12 -56.57 2.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.834 0.349 . . . . 0.0 111.431 178.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 116' ' ' ARG . 3.4 tpp85 -101.95 -63.76 1.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.871 -170.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 117' ' ' ARG . 12.2 ttp180 62.1 18.48 10.06 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.786 0.803 . . . . 0.0 110.028 -172.197 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.447 ' HE ' ' HB2' ' A' ' 69' ' ' ASP . 36.3 ttt85 -133.47 37.02 3.35 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 176.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 4.8 p -119.73 130.16 74.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 114.505 -1.225 . . . . 0.0 110.317 -177.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -103.54 126.8 50.91 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 177.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.506 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -113.32 109.65 19.06 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.135 0.493 . . . . 0.0 111.391 -176.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -89.06 95.5 10.34 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 173.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 81.7 mt -105.83 117.98 35.41 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.212 -172.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 64.8 mt -104.76 123.91 59.05 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.505 175.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.0 140.84 51.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.207 176.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.473 HG22 ' OH ' ' A' ' 19' ' ' TYR . 34.4 m . . . . . 0 C--N 1.325 -0.466 0 CA-C-O 120.911 0.386 . . . . 0.0 111.235 -176.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -72.71 16.82 0.39 Allowed 'Trans proline' 0 N--CA 1.473 0.316 0 C-N-CA 122.907 2.405 . . . . 0.0 113.862 -172.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.1 ttt85 57.25 80.38 0.16 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.743 0.783 . . . . 0.0 109.96 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.7 m -90.18 112.42 23.91 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.251 -171.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.433 ' HB1' HG21 ' A' ' 113' ' ' ILE . . . -94.39 -4.98 47.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.217 -179.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -151.45 126.99 10.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.965 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.549 ' H ' HD12 ' A' ' 16' ' ' ILE . 3.8 mp -64.06 132.51 29.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 176.145 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -81.15 -41.0 23.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.608 0.242 . . . . 0.0 110.859 -174.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.41 ' HB3' ' HD2' ' A' ' 25' ' ' TYR . . . -165.02 174.17 10.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.72 177.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -137.0 123.42 20.78 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 176.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.58 135.45 7.86 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.272 -0.966 . . . . 0.0 112.864 -175.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm 64.9 -90.87 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 123.277 0.631 . . . . 0.0 110.404 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.05 37.77 0.93 Allowed Glycine 0 N--CA 1.445 -0.761 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.587 ' HA3' ' HG2' ' A' ' 32' ' ' GLN . . . -151.97 158.6 27.88 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.957 -0.64 . . . . 0.0 111.874 -179.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -91.5 144.32 25.68 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.996 0.427 . . . . 0.0 110.186 -177.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.41 ' HD2' ' HB3' ' A' ' 18' ' ' ALA . 55.9 t80 -121.4 131.91 54.45 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.009 179.521 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -134.15 177.18 7.94 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.53 178.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.22 98.76 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.436 0.46 . . . . 0.0 110.936 178.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 137.61 -75.64 0.38 Allowed Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.272 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 24.1 ttt -147.84 158.48 44.05 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 -176.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.1 t -97.89 151.9 19.77 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 177.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -143.83 128.0 17.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.93 0.395 . . . . 0.0 110.819 176.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.587 ' HG2' ' HA3' ' A' ' 23' ' ' GLY . 52.8 mt-30 -91.27 162.99 14.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.765 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.39 -99.62 1.88 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.376 178.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.5 t -152.91 143.47 22.68 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -178.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 90.7 mt -126.84 137.85 53.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.793 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.659 ' HG ' ' HB2' ' A' ' 45' ' ' TRP . 91.6 mt -101.53 107.45 18.74 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.321 179.452 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.541 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 87.2 m-85 -89.0 99.58 12.54 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.633 177.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.2 mt -98.22 162.11 23.13 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.212 -178.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.84 -15.2 36.66 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.87 2.38 . . . . 0.0 113.074 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -95.7 -58.24 2.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.985 0.421 . . . . 0.0 110.525 178.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -157.72 -179.59 8.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.668 -177.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.6 t -100.65 130.16 50.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.346 -179.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -123.36 178.03 5.34 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.279 178.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -103.38 144.25 15.93 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.615 -0.802 . . . . 0.0 111.896 179.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.659 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 4.0 t90 -111.83 132.91 54.38 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -81.21 4.42 20.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.912 0.863 . . . . 0.0 111.391 -173.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.488 HG21 ' HB3' ' A' ' 57' ' ' SER . 58.2 t -93.99 88.8 2.43 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.231 176.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.4 p -82.78 -7.69 59.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.987 -173.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.442 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 98.1 mttt -135.9 139.43 30.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.462 -178.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.499 ' O ' ' HB3' ' A' ' 51' ' ' GLU . 21.1 Cg_exo -65.45 177.82 2.47 Favored 'Trans proline' 0 C--O 1.237 0.457 0 C-N-CA 122.847 2.365 . . . . 0.0 111.943 177.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.565 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 31.3 tt0 75.18 -44.15 0.53 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.199 0.599 . . . . 0.0 111.819 179.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -78.82 33.89 0.22 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.072 0.463 . . . . 0.0 111.56 -176.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 62.5 mt -103.06 118.86 50.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.181 -178.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -137.56 -170.94 2.86 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 178.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -56.28 -40.73 74.73 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.154 0.502 . . . . 0.0 110.826 178.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -63.47 -37.18 86.3 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.869 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.488 ' HB3' HG21 ' A' ' 47' ' ' VAL . 2.5 m -71.41 -34.65 70.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.385 0.612 . . . . 0.0 110.02 178.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.1 mt -94.58 15.47 17.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.073 -178.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -58.07 -40.34 80.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.049 0.452 . . . . 0.0 110.537 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -66.5 -27.58 67.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.187 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.8 t -79.8 -43.26 22.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.526 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -57.95 -34.9 70.41 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.591 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -63.83 -42.15 97.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.794 0.331 . . . . 0.0 111.115 179.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -103.27 22.91 13.28 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.444 0.64 . . . . 0.0 110.209 -177.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.86 -17.17 64.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.13 -175.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -85.93 -1.5 57.36 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.754 0.311 . . . . 0.0 111.015 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -119.14 -5.36 10.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.069 0.461 . . . . 0.0 110.592 177.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.8 mt -109.73 107.55 23.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.481 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -79.63 -67.94 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.48 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.459 ' O ' ' HA ' ' A' ' 119' ' ' VAL . 30.1 m -104.52 139.77 38.93 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.954 178.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.8 tp -125.59 105.37 8.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.762 0.315 . . . . 0.0 110.226 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 73.0 mt -92.26 117.28 35.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.162 0.506 . . . . 0.0 110.148 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.8 t -106.41 121.11 58.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.355 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.535 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -96.96 108.65 3.7 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 177.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.596 HG21 ' HB3' ' A' ' 80' ' ' TRP . 34.0 p -86.37 14.35 6.78 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.119 0.485 . . . . 0.0 111.909 -175.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.37 -110.29 3.33 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.843 176.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.95 -63.24 1.29 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.796 0.332 . . . . 0.0 111.337 -175.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -87.44 162.31 17.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.064 -178.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.756 ' HB ' HE22 ' A' ' 101' ' ' GLN . 7.3 p -99.23 121.58 50.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.365 0.602 . . . . 0.0 111.409 -177.207 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.596 ' HB3' HG21 ' A' ' 75' ' ' THR . 58.1 t90 -94.77 122.78 37.73 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.28 174.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 66.9 mt -87.59 106.56 16.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.948 0.404 . . . . 0.0 110.015 -177.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.422 ' HA ' ' HD3' ' A' ' 83' ' ' PRO . . . -57.14 126.02 72.3 Favored Pre-proline 0 C--O 1.235 0.332 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.668 177.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 82' ' ' ALA . 42.9 Cg_exo -57.27 147.04 79.18 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 123.1 2.533 . . . . 0.0 112.482 -177.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 17.3 mtm180 -55.51 -44.0 76.19 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.084 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -57.1 -51.43 69.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.013 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.1 tp -65.49 -40.27 92.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.609 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -65.69 -40.6 92.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.557 -178.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -65.05 -43.18 93.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.635 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.45 -36.04 77.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.065 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.427 ' HB3' ' HB ' ' A' ' 95' ' ' VAL . 91.4 mt -68.84 -48.64 62.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.986 178.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 62.0 mtp180 -71.02 -18.23 62.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.958 -178.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.25 -26.22 70.35 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 174.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.485 ' O ' ' HB2' ' A' ' 94' ' ' ASN . 40.1 t -94.32 -56.45 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 176.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.485 ' HB2' ' O ' ' A' ' 93' ' ' VAL . 0.2 OUTLIER 170.96 -29.39 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.154 -177.495 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.427 ' HB ' ' HB3' ' A' ' 90' ' ' LEU . 57.4 t -63.79 111.79 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -170.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.0 t -93.96 96.6 6.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 173.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.2 tt -80.28 130.56 35.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.428 -178.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -127.05 127.48 44.79 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.467 177.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.497 HG21 ' O ' ' A' ' 80' ' ' TRP . 6.5 m -97.23 124.42 41.31 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.94 -175.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.535 ' O ' ' HA2' ' A' ' 74' ' ' GLY . 87.9 mmm -138.85 167.73 21.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.282 -177.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.756 HE22 ' HB ' ' A' ' 79' ' ' VAL . 16.4 mp0 -84.98 157.75 20.7 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 173.021 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.409 ' O ' HG13 ' A' ' 106' ' ' ILE . 11.8 m -50.74 -45.24 58.66 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -175.205 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -59.93 -67.63 2.06 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 121.172 -0.537 . . . . 0.0 113.057 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -57.42 -27.31 75.38 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.781 2.321 . . . . 0.0 112.997 179.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.68 -50.42 64.97 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.742 -0.208 . . . . 0.0 110.741 177.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 102' ' ' THR . 78.2 mt -61.82 -37.01 77.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 120.968 0.413 . . . . 0.0 110.367 178.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -59.94 -58.44 8.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.483 178.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.1 m -60.76 -37.44 81.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.755 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.527 ' O ' HG12 ' A' ' 113' ' ' ILE . 84.7 t80 -55.42 -55.72 28.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.586 178.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -55.9 -38.67 70.53 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.762 -178.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 72.1 mt -65.05 -51.29 68.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.297 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 89.8 mtp -72.6 -31.9 65.55 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.592 -175.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.67 ' HA ' ' HG2' ' A' ' 117' ' ' ARG . 45.1 mm -72.0 -23.77 22.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.042 0.449 . . . . 0.0 110.456 178.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -68.28 -9.1 56.96 Favored Glycine 0 CA--C 1.52 0.371 0 CA-C-N 115.863 -0.608 . . . . 0.0 113.218 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -121.62 -90.62 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 177.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -103.03 -26.66 12.99 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -167.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.67 ' HG2' ' HA ' ' A' ' 113' ' ' ILE . 31.6 mtm-85 62.01 76.5 0.36 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.091 0.472 . . . . 0.0 111.375 -176.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 23.9 mtp180 -111.83 24.37 12.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.371 0.605 . . . . 0.0 109.807 176.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.459 ' HA ' ' O ' ' A' ' 70' ' ' THR . 7.1 p -136.55 135.05 49.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.083 -174.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -104.09 142.77 33.89 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 172.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.541 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -116.21 124.31 49.95 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.947 0.404 . . . . 0.0 111.578 -175.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -108.66 96.95 6.69 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 174.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.5 mt -101.98 114.37 28.42 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.347 -174.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 49.4 mt -100.03 146.3 9.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.68 177.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -73.17 165.26 25.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.974 0.416 . . . . 0.0 111.169 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 35.0 m . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.2 -178.605 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.427 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 91.8 m-85 . . . . . 0 CA--C 1.53 0.189 0 CA-C-O 120.921 0.391 . . . . 0.0 111.377 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 10' ' ' PHE . 60.5 Cg_endo -91.07 135.79 1.91 Allowed 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 123.243 2.629 . . . . 0.0 111.948 175.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 46.61 85.58 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.375 0.607 . . . . 0.0 111.555 -176.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.49 ' HB ' HG21 ' A' ' 42' ' ' VAL . 27.1 m -122.92 106.51 10.93 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.695 -179.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -113.31 19.38 17.06 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.101 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.49 117.75 31.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.839 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.451 HD12 HG23 ' A' ' 106' ' ' ILE . 62.1 mt -120.24 130.7 74.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.993 178.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -148.09 154.99 40.93 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 -177.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 58.42 91.61 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.952 0.782 . . . . 0.0 112.564 177.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -115.01 128.26 56.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.59 178.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 126.62 -77.82 0.39 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.548 176.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -68.92 99.31 1.04 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.826 0.345 . . . . 0.0 110.36 -178.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.4 18.44 60.48 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.077 -178.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.9 -103.33 2.45 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.133 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -121.52 116.43 24.66 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 178.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -106.48 93.65 4.71 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.242 0.544 . . . . 0.0 110.384 179.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -128.43 115.14 17.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.814 -178.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 63.86 -77.95 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.217 -0.901 . . . . 0.0 112.808 175.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.54 -72.52 0.98 Allowed Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.25 -0.5 . . . . 0.0 113.367 -173.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 23.8 ptp -147.77 172.14 14.58 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 122.742 -0.27 . . . . 0.0 110.924 -175.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.7 m -81.6 108.79 15.46 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 174.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -92.72 103.79 16.13 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.681 -0.407 . . . . 0.0 111.374 -176.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.93 113.94 16.32 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 172.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.592 ' HA2' HG22 ' A' ' 48' ' ' THR . . . 142.26 -176.03 22.43 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.827 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.568 ' HB3' ' O ' ' A' ' 45' ' ' TRP . 27.8 t -92.03 140.68 29.41 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.166 0.507 . . . . 0.0 110.575 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 97.9 mt -115.55 127.36 55.21 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.012 178.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.703 ' HB2' ' HB2' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -101.54 96.15 6.93 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.117 0.484 . . . . 0.0 109.698 -178.879 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.411 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 89.2 m-85 -78.38 93.87 4.78 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.466 177.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.3 mt -76.6 158.53 80.92 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.821 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.476 ' HB3' ' H ' ' A' ' 118' ' ' ARG . 17.3 Cg_exo -69.58 44.18 0.39 Allowed 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 123.286 2.657 . . . . 0.0 113.351 -178.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -168.67 -55.88 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -138.83 164.36 29.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.975 -178.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.49 HG21 ' HB ' ' A' ' 13' ' ' THR . 41.4 t -91.06 118.28 35.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.472 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 37.6 m95 -115.83 176.19 5.2 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.003 0.43 . . . . 0.0 110.692 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -105.76 145.98 16.01 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.9 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.703 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 11.5 t90 -134.23 112.61 11.21 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -83.28 75.25 9.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.279 0.562 . . . . 0.0 111.058 -174.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 85.7 t -138.94 90.44 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 170.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.592 HG22 ' HA2' ' A' ' 33' ' ' GLY . 1.9 p -84.87 -20.4 30.87 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.572 -175.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -121.47 115.55 31.11 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 120.844 0.354 . . . . 0.0 110.161 178.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -58.01 -24.09 63.73 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.763 2.975 . . . . 0.0 114.238 -172.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -67.41 -17.09 64.58 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.775 0.322 . . . . 0.0 111.496 -178.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 41.1 tp60 -97.21 15.16 23.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.09 0.471 . . . . 0.0 111.01 -176.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.447 HG22 HD21 ' A' ' 86' ' ' LEU . 70.3 mt -69.51 122.47 21.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 174.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -149.63 168.69 22.87 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 -176.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' A' ' 55' ' ' ARG . 50.1 mtm180 -57.94 -33.75 69.15 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.761 0.315 . . . . 0.0 110.748 178.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -62.63 -45.07 94.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.689 176.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.4 m -72.01 -30.13 64.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.101 0.477 . . . . 0.0 110.54 179.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.9 mt -86.9 5.01 39.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.411 -178.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -58.07 -34.18 69.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.198 0.523 . . . . 0.0 110.376 179.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -69.36 -20.41 63.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.225 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.1 t -90.88 -45.16 14.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.323 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -55.82 -36.79 67.85 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.203 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -63.08 -26.02 68.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.471 -177.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -119.23 29.37 7.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.896 -176.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.51 -31.23 69.19 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 112.242 -176.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -63.24 -34.42 77.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.186 0.517 . . . . 0.0 111.101 178.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.59 -23.79 23.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.979 -178.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.9 mt -102.07 99.11 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.286 -176.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.489 ' HB2' ' CZ ' ' A' ' 118' ' ' ARG . 6.5 t70 -87.5 -54.58 4.2 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.117 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.6 m -106.47 119.72 40.02 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.606 -178.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.9 tp -112.31 106.81 15.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.319 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 59.6 mt -94.83 125.12 47.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.775 178.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 79.0 t -112.82 130.35 66.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.486 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -111.62 100.62 1.21 Allowed Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.484 -0.646 . . . . 0.0 111.484 177.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.8 p -71.48 -42.47 68.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.029 0.442 . . . . 0.0 111.792 -176.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.22 -59.59 1.38 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.695 -0.764 . . . . 0.0 113.015 175.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.18 -67.64 0.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.911 0.386 . . . . 0.0 110.844 -178.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -150.61 172.49 15.44 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 175.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 44.7 t -73.76 93.41 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.137 0.494 . . . . 0.0 110.345 -179.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 81.2 t90 -88.17 112.43 22.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.734 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 47.7 mt -93.03 116.21 33.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.444 -177.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.29 148.73 95.58 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.238 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.95 152.39 29.6 Favored 'Trans proline' 0 C--O 1.239 0.543 0 C-N-CA 123.009 2.473 . . . . 0.0 112.58 177.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -61.47 -41.6 97.49 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.429 -175.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -51.99 -45.84 64.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.038 0.447 . . . . 0.0 110.807 -178.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.447 HD21 HG22 ' A' ' 53' ' ' ILE . 52.8 tp -73.15 -47.03 47.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.988 -178.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.491 ' HG3' HD23 ' A' ' 97' ' ' LEU . 62.2 ttt180 -66.94 -39.48 87.33 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.059 0.457 . . . . 0.0 111.106 -176.284 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -71.85 -30.97 66.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.536 -178.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.98 -41.61 99.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.948 0.404 . . . . 0.0 110.216 176.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.47 -48.17 78.78 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.931 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 59.5 ttp85 -74.64 -20.94 59.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.698 -177.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -68.35 -23.04 75.0 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.142 -0.552 . . . . 0.0 111.737 175.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 46.4 t -86.33 -80.0 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 173.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -175.45 21.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.354 176.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 47.4 t -110.44 116.29 51.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.869 0.366 . . . . 0.0 110.932 -174.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 65.7 t -87.11 110.39 20.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.198 177.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.491 HD23 ' HG3' ' A' ' 87' ' ' ARG . 48.4 tp -85.71 107.21 17.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.606 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -108.72 101.48 10.6 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.4 m -102.51 119.24 38.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.575 -173.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 70.7 mtm -138.89 -172.37 3.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.747 178.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -81.56 160.58 23.82 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 173.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.431 ' O ' HG13 ' A' ' 106' ' ' ILE . 3.1 m -57.58 -39.46 76.83 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 -175.148 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -53.26 -69.05 1.33 Allowed Glycine 0 CA--C 1.522 0.514 0 C-N-CA 121.228 -0.51 . . . . 0.0 113.031 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -57.71 -32.57 95.0 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.856 2.371 . . . . 0.0 112.646 177.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.64 -48.8 77.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.65 0.262 . . . . 0.0 110.846 178.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.451 HG23 HD12 ' A' ' 16' ' ' ILE . 81.4 mt -57.94 -48.7 83.39 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.135 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.239 177.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 107' ' ' ARG . 42.9 ttt-85 -56.61 -51.2 69.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.027 -179.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.5 m -61.96 -46.18 90.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.169 -178.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -66.95 -45.72 76.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.926 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -57.98 -31.54 67.01 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.049 -176.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 79.5 mt -84.12 -53.09 11.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 177.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.538 ' HA ' ' OE1' ' A' ' 115' ' ' GLU . 38.5 ttp -72.21 -15.99 61.95 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -170.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 11.1 tp -74.61 -17.75 16.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.254 0.55 . . . . 0.0 109.641 174.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -72.24 -18.84 78.32 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.736 177.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.538 ' OE1' ' HA ' ' A' ' 112' ' ' MET . 0.4 OUTLIER -63.73 -69.71 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 175.676 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.544 ' HG3' ' H ' ' A' ' 117' ' ' ARG . 7.3 ptp180 -163.96 -74.35 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 176.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.544 ' H ' ' HG3' ' A' ' 116' ' ' ARG . 15.0 ptm180 178.86 -166.04 0.06 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 117.737 0.244 . . . . 0.0 111.157 -175.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.557 ' HG3' ' O ' ' A' ' 118' ' ' ARG . 0.0 OUTLIER 75.28 15.94 2.78 Favored 'General case' 0 C--O 1.245 0.822 0 CA-C-O 123.161 1.458 . . . . 0.0 110.873 -179.737 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 5.4 p -117.38 132.61 66.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-N 113.419 -1.719 . . . . 0.0 108.757 171.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -118.17 147.53 43.26 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.241 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.411 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -127.62 114.71 17.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.946 0.403 . . . . 0.0 110.99 -178.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -97.04 95.17 7.61 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 174.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 79.4 mt -98.33 107.84 20.4 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.553 -176.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 60.8 mt -90.02 117.76 33.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.238 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.427 ' HB3' ' H ' ' A' ' 33' ' ' GLY . . . -80.77 128.02 33.18 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 172.035 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 15.4 m . . . . . 0 C--N 1.323 -0.556 0 CA-C-O 120.939 0.4 . . . . 0.0 110.715 -178.346 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.675 ' HZ ' ' HA3' ' A' ' 28' ' ' GLY . 84.4 m-85 . . . . . 0 N--CA 1.465 0.3 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -97.38 105.79 0.08 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 123.651 2.901 . . . . 0.0 112.069 176.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 47.0 ttp180 62.6 92.23 0.06 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.406 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.7 m -102.27 144.64 30.52 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 177.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.8 -64.95 1.14 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.776 0.322 . . . . 0.0 111.195 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.9 155.01 16.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.995 0.426 . . . . 0.0 111.187 -176.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.4 mt -119.73 138.16 51.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.763 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.546 ' HB2' ' HA ' ' A' ' 26' ' ' PHE . 55.2 m-20 -64.99 -55.71 17.46 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 123.195 0.309 . . . . 0.0 111.49 -177.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.45 151.01 33.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.716 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -149.18 165.62 31.3 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.95 -102.76 1.42 Allowed Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.896 177.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.11 130.72 42.87 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 176.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.432 ' O ' ' HA ' ' A' ' 31' ' ' HIS . . . 79.53 -4.8 62.77 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.932 -0.652 . . . . 0.0 112.088 -174.355 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.43 -142.6 18.11 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 121.103 -0.57 . . . . 0.0 112.017 -178.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.47 ' HB2' ' HB2' ' A' ' 32' ' ' GLN . 94.0 m-85 -84.35 107.36 16.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.932 0.396 . . . . 0.0 110.289 176.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -113.67 93.65 4.48 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.994 -177.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.546 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 43.0 p90 -134.24 171.37 14.35 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.385 -178.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.4 102.79 0.57 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.059 0.457 . . . . 0.0 110.926 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.675 ' HA3' ' HZ ' ' A' ' 10' ' ' PHE . . . 151.28 -64.55 0.38 Allowed Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.933 -179.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 64.8 mtt -141.55 150.97 42.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.648 0.261 . . . . 0.0 110.434 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.4 p -117.01 158.74 23.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -177.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.432 ' HA ' ' O ' ' A' ' 22' ' ' GLY . 34.3 t60 58.91 78.59 0.25 Allowed 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.658 0.599 . . . . 0.0 111.182 176.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.47 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 43.0 mt-30 -135.26 136.34 41.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.04 -179.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.36 -42.22 1.65 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.858 -175.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.446 ' HB3' ' HB3' ' A' ' 45' ' ' TRP . 10.7 m -132.58 118.17 18.87 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.671 0.272 . . . . 0.0 110.817 -176.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 92.8 mt -126.67 136.04 51.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.985 0.421 . . . . 0.0 111.001 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.486 ' HG ' ' HB2' ' A' ' 45' ' ' TRP . 97.9 mt -101.87 101.66 12.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.789 177.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.475 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 90.1 m-85 -85.48 104.65 15.46 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.194 -179.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.0 mt -102.63 156.85 34.76 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.7 177.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -53.4 -26.94 37.49 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.113 2.542 . . . . 0.0 113.392 -177.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -95.46 -56.81 2.58 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.674 0.273 . . . . 0.0 111.487 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -147.02 169.61 18.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.803 0.335 . . . . 0.0 111.278 -175.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.7 t -103.56 132.3 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.725 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.459 ' HB3' HH11 ' A' ' 60' ' ' ARG . 76.7 m95 -113.87 164.51 13.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.276 178.109 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -98.15 134.33 11.68 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.535 177.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.486 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 4.3 t90 -102.63 144.87 30.48 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 -177.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -100.71 15.92 26.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.764 0.792 . . . . 0.0 110.65 -175.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.1 t -120.14 101.67 11.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.823 178.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.0 m -107.77 12.99 26.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.542 0.687 . . . . 0.0 110.86 -176.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.1 mttp -139.76 143.16 33.78 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.63 176.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.406 ' O ' ' HB2' ' A' ' 51' ' ' GLU . 33.4 Cg_endo -64.78 174.85 4.15 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.647 2.231 . . . . 0.0 111.33 175.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 50' ' ' PRO . 35.7 mt-10 74.09 -37.44 0.37 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.05 0.54 . . . . 0.0 111.496 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -74.61 -15.38 60.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.148 0.499 . . . . 0.0 110.589 178.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 54.3 mt -69.66 114.95 7.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.75 -179.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.94 -177.63 5.53 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.418 ' HG3' ' CE2' ' A' ' 62' ' ' PHE . 19.9 ttt180 -62.89 -38.13 89.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.533 0.206 . . . . 0.0 111.128 -179.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -64.07 -43.04 96.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.99 0.424 . . . . 0.0 110.7 -177.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.5 p -77.09 -13.61 59.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.207 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 86.6 mt -104.99 10.91 33.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.679 178.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -60.59 -29.04 68.95 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -178.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.459 HH11 ' HB3' ' A' ' 43' ' ' TRP . 32.8 ttm180 -69.63 -28.19 65.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.116 0.484 . . . . 0.0 109.813 176.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 63.5 t -78.04 -42.67 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.897 178.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.418 ' CE2' ' HG3' ' A' ' 55' ' ' ARG . 60.5 m-85 -62.89 -32.46 73.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 176.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -69.6 -33.89 73.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.051 0.453 . . . . 0.0 110.799 178.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -103.73 17.8 23.32 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.899 -178.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.34 -21.78 65.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.548 -176.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -59.4 -27.06 65.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.802 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -101.95 3.99 39.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.3 mt -116.57 110.17 30.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.239 0.542 . . . . 0.0 110.942 -176.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -98.44 -46.16 5.87 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.277 173.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.9 m -116.76 133.79 55.58 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.913 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 64.5 tp -123.87 111.32 15.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.974 0.416 . . . . 0.0 110.496 -179.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 66.6 mt -97.35 126.15 50.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.531 178.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.53 HG22 ' HB3' ' A' ' 122' ' ' ALA . 93.4 t -120.26 122.23 67.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.985 0.422 . . . . 0.0 110.996 -177.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -103.0 102.91 2.31 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 175.218 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.57 HG21 ' HB3' ' A' ' 80' ' ' TRP . 7.3 p -87.74 25.13 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -173.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 98.55 -123.7 7.96 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.997 175.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.47 -27.33 22.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.852 0.358 . . . . 0.0 111.308 -175.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -121.86 165.22 16.24 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.276 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.765 HG22 ' HA ' ' A' ' 100' ' ' MET . 58.9 t -94.85 104.12 15.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.118 178.188 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.57 ' HB3' HG21 ' A' ' 75' ' ' THR . 70.2 t90 -80.16 119.97 23.65 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 176.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.6 mm -87.26 115.48 27.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.023 -178.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.9 136.56 95.07 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.717 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -56.22 151.56 42.99 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.855 2.37 . . . . 0.0 112.109 178.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 84' ' ' ARG . 11.2 ttp180 -48.86 -43.6 38.95 Favored 'General case' 0 N--CA 1.463 0.219 0 O-C-N 123.474 0.484 . . . . 0.0 111.557 -178.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -53.98 -50.67 66.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.228 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.2 tp -77.03 -39.68 49.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.754 -177.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -59.73 -47.75 84.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.337 -178.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -73.82 -31.53 63.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.777 -177.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.14 -45.92 89.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.721 0.296 . . . . 0.0 110.718 176.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.74 -46.67 84.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.752 178.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 67.4 ttt-85 -63.64 -35.65 81.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.999 0.428 . . . . 0.0 110.654 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -63.09 -28.25 71.83 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.616 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.7 HG13 HG23 ' A' ' 95' ' ' VAL . 7.2 p -98.29 21.52 1.43 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 CA-C-O 121.526 0.679 . . . . 0.0 109.995 179.06 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.424 ' HB3' ' O ' ' A' ' 93' ' ' VAL . 9.6 t30 79.97 -7.03 1.71 Allowed 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 115.114 -0.948 . . . . 0.0 112.101 172.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.7 HG23 HG13 ' A' ' 93' ' ' VAL . 81.1 t -70.86 105.77 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.236 0.541 . . . . 0.0 110.825 -176.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.1 t -74.8 100.54 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.027 177.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 59.8 tp -79.59 125.95 30.26 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.603 -179.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -128.72 117.5 21.25 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 175.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.1 134.22 55.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.64 -169.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.765 ' HA ' HG22 ' A' ' 79' ' ' VAL . 1.4 pmm? -166.02 -171.58 2.05 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.386 176.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -62.67 150.89 39.74 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.322 174.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.564 ' O ' HG13 ' A' ' 106' ' ' ILE . 6.5 m -55.91 -44.56 78.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.936 -176.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.07 -64.61 4.23 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 121.203 -0.522 . . . . 0.0 113.038 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -51.78 -38.98 68.14 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.691 2.261 . . . . 0.0 112.531 175.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.36 -43.41 92.85 Favored 'General case' 0 C--O 1.232 0.169 0 O-C-N 123.356 0.41 . . . . 0.0 111.338 -179.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.564 HG13 ' O ' ' A' ' 102' ' ' THR . 71.4 mt -61.48 -40.37 86.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.111 0.481 . . . . 0.0 109.974 177.481 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.443 ' HA ' ' HD2' ' A' ' 107' ' ' ARG . 16.6 tpt180 -63.71 -48.1 78.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.925 -177.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.584 ' O ' ' HG2' ' A' ' 112' ' ' MET . 0.1 OUTLIER -63.88 -38.92 92.87 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.618 0.247 . . . . 0.0 111.091 178.292 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.537 ' O ' HG12 ' A' ' 113' ' ' ILE . 44.2 t80 -56.56 -40.73 75.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.571 178.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.404 ' N ' HD22 ' A' ' 110' ' ' ASN . 0.9 OUTLIER -63.91 -41.07 97.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.644 177.773 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 107' ' ' ARG . 58.2 mt -65.33 -46.01 91.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.048 -179.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.584 ' HG2' ' O ' ' A' ' 108' ' ' THR . 97.2 mmm -59.7 -32.33 70.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.855 -175.073 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.537 HG12 ' O ' ' A' ' 109' ' ' TYR . 48.3 mm -54.38 -32.36 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-O 121.007 0.432 . . . . 0.0 111.183 -179.188 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -115.12 39.45 2.77 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.509 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -156.54 -44.62 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.017 0.437 . . . . 0.0 110.937 178.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 116' ' ' ARG . 17.7 ttm-85 -148.03 86.36 1.57 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 177.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -64.05 179.72 0.51 Allowed 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 114.52 -1.218 . . . . 0.0 110.6 175.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 3.3 mpp_? 69.2 29.26 4.69 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.855 0.836 . . . . 0.0 108.891 -169.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 7.1 p -104.18 133.05 49.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.769 178.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -117.26 154.68 30.76 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.913 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.475 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -128.47 114.73 17.15 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.985 0.421 . . . . 0.0 111.336 -178.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.53 ' HB3' HG22 ' A' ' 73' ' ' VAL . . . -95.01 96.52 9.32 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 173.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 94.7 mt -108.28 122.6 47.3 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.14 0.495 . . . . 0.0 111.612 -172.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 57.3 mt -104.59 134.65 45.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.239 -0.891 . . . . 0.0 108.792 172.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.62 143.94 56.77 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.916 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 58.3 t . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.022 178.129 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.439 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 98.3 m-85 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 10' ' ' PHE . 3.0 Cg_exo -76.02 63.47 6.83 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 123.027 2.485 . . . . 0.0 111.911 179.425 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.687 ' HG2' ' HA ' ' A' ' 40' ' ' ASP . 99.9 mtt180 54.76 74.46 0.35 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.46 0.648 . . . . 0.0 110.708 -177.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.8 m -113.66 103.8 11.6 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.892 -176.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -105.86 83.92 1.99 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.692 176.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -151.34 120.97 6.95 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 -177.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.8 mt -103.16 112.46 36.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 176.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.568 ' HB2' ' HA ' ' A' ' 26' ' ' PHE . 23.0 m-20 -80.84 -68.75 0.66 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.437 -176.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.433 ' HB3' ' HB3' ' A' ' 25' ' ' TYR . . . -126.15 144.66 50.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.182 0.515 . . . . 0.0 111.501 -178.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -140.9 136.34 32.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.779 175.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 133.2 -58.67 0.69 Allowed Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.265 175.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.442 ' HE3' ' HB2' ' A' ' 21' ' ' LYS . 36.6 ttmt -84.51 114.15 21.74 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 120.901 0.381 . . . . 0.0 110.415 -178.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.97 48.24 74.53 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.474 -178.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.74 -131.55 10.83 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.784 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -100.52 150.7 22.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.899 0.38 . . . . 0.0 110.773 178.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.566 ' HD1' ' HA ' ' A' ' 30' ' ' SER . 62.3 t80 -142.17 117.89 10.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.788 174.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.568 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 26.6 p90 -142.6 171.99 13.31 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 177.125 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.57 90.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.16 0.505 . . . . 0.0 111.327 178.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 149.46 -43.16 0.78 Allowed Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.959 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.507 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . 24.3 mmt -135.53 127.53 29.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.007 0.432 . . . . 0.0 110.407 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.566 ' HA ' ' HD1' ' A' ' 25' ' ' TYR . 37.3 p -106.47 112.43 25.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.217 -177.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 69.05 90.79 0.09 Allowed 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.888 0.743 . . . . 0.0 112.082 176.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -143.1 138.0 29.55 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.017 173.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.518 ' HA3' HG23 ' A' ' 48' ' ' THR . . . -90.22 1.64 80.15 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.959 -177.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.481 ' HB2' ' HB2' ' A' ' 45' ' ' TRP . 8.5 p -157.33 117.23 3.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.92 0.391 . . . . 0.0 111.492 -178.497 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 97.0 mt -130.58 146.14 52.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.052 -178.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.5 mt -113.08 96.88 6.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.42 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.427 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 86.4 m-85 -83.82 93.49 7.99 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.024 179.099 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.474 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 82.7 mt -90.63 160.47 38.77 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.644 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -53.15 -31.73 56.32 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.089 2.526 . . . . 0.0 113.919 -176.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.687 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 6.2 m-20 -105.07 -46.8 4.16 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -178.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.474 ' O ' ' HB2' ' A' ' 38' ' ' LEU . . . -137.96 153.33 49.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.145 0.498 . . . . 0.0 111.748 -175.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.7 t -94.88 122.68 46.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.064 177.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 20.3 m95 -107.76 178.47 4.52 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.92 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -132.03 150.72 19.65 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.215 -0.993 . . . . 0.0 112.847 -176.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.481 ' HB2' ' HB2' ' A' ' 34' ' ' SER . 1.4 m0 -110.7 -166.4 1.08 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -140.31 22.36 2.38 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 171.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.481 ' O ' ' HB3' ' A' ' 34' ' ' SER . 45.2 t -101.6 91.69 2.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 114.639 -1.164 . . . . 0.0 110.163 -175.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.518 HG23 ' HA3' ' A' ' 33' ' ' GLY . 8.5 m -95.68 -14.14 23.68 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.292 0.568 . . . . 0.0 110.753 -177.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.436 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 46.7 mtmt -103.4 125.03 36.14 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.077 177.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 49' ' ' LYS . 34.2 Cg_exo -60.62 173.42 2.14 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 123.172 2.581 . . . . 0.0 112.586 179.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.41 ' HB3' ' O ' ' A' ' 50' ' ' PRO . 44.0 tt0 74.37 -29.51 0.2 Allowed 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.443 0.697 . . . . 0.0 111.83 -179.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -78.05 22.31 0.3 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.958 0.409 . . . . 0.0 111.62 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.1 mt -81.8 78.64 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 175.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -101.62 168.83 9.23 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.858 -177.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 -58.64 -30.51 67.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.978 0.418 . . . . 0.0 110.079 177.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -61.95 -30.33 70.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.064 177.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.7 t -92.06 -24.37 19.19 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.162 0.506 . . . . 0.0 110.053 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.6 mt -86.8 15.1 6.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.576 -177.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.412 ' HA ' ' OE1' ' A' ' 59' ' ' GLN . 13.2 mm-40 -59.88 -38.59 82.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.754 0.311 . . . . 0.0 110.622 179.102 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 60' ' ' ARG . 58.9 mtt85 -69.79 -11.39 60.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.141 177.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.5 t -94.97 -45.84 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.236 178.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -66.6 -34.86 78.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.885 0.374 . . . . 0.0 110.902 178.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -66.7 -25.82 66.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.683 178.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -116.51 27.32 9.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.479 -178.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.58 -26.7 68.81 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.768 -176.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -87.8 5.71 38.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.994 0.426 . . . . 0.0 111.129 179.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -120.02 -0.68 10.53 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.754 178.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 71.7 mt -130.39 128.84 64.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.566 -177.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.495 ' HB3' ' HB2' ' A' ' 118' ' ' ARG . 7.6 t70 -102.11 -57.69 2.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.128 0.49 . . . . 0.0 109.937 176.297 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 43.0 m -112.64 132.08 55.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.276 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.0 tp -117.36 113.47 22.16 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.807 0.337 . . . . 0.0 110.178 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 66.5 mt -96.98 115.72 37.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.925 178.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 89.0 t -100.11 119.82 48.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.528 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.476 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -91.28 117.16 5.11 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 178.098 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.515 HG21 ' HB3' ' A' ' 80' ' ' TRP . 0.8 OUTLIER -97.48 -1.03 45.03 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.108 0.48 . . . . 0.0 111.716 -177.31 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.418 ' HA2' ' OG1' ' A' ' 102' ' ' THR . . . 79.23 -106.28 2.37 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.961 -0.637 . . . . 0.0 113.834 173.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -85.38 -26.43 26.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -170.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.513 ' O ' ' HB ' ' A' ' 75' ' ' THR . 2.8 m-20 -134.19 131.81 39.03 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.416 -179.49 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.423 ' HB ' ' HG3' ' A' ' 101' ' ' GLN . 6.3 p -80.83 97.38 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 122.084 0.945 . . . . 0.0 110.677 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.541 ' O ' HG21 ' A' ' 99' ' ' THR . 79.4 t90 -79.46 116.07 19.46 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.274 176.062 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 7.9 tp -87.1 123.16 39.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.314 0.578 . . . . 0.0 110.273 -177.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.07 131.0 89.2 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.731 -179.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -75.1 170.93 19.3 Favored 'Trans proline' 0 C--O 1.237 0.472 0 C-N-CA 122.5 2.133 . . . . 0.0 112.598 -178.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.4 ' O ' ' HB2' ' A' ' 88' ' ' GLU . 34.5 mmm-85 -50.11 -44.7 52.25 Favored 'General case' 0 C--O 1.222 -0.395 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.833 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -49.85 -53.84 23.09 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.011 0.434 . . . . 0.0 111.522 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 36.3 tp -72.46 -41.03 66.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.959 -176.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -69.57 -35.11 75.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.688 -176.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.545 ' OE1' ' HD3' ' A' ' 91' ' ' ARG . 3.5 tp10 -66.77 -38.43 86.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.972 178.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.5 -48.07 83.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.071 179.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.587 HD12 HD22 ' A' ' 97' ' ' LEU . 79.2 mt -73.18 -28.53 62.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.111 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.545 ' HD3' ' OE1' ' A' ' 88' ' ' GLU . 29.3 ttt180 -61.69 -36.34 80.61 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.989 0.423 . . . . 0.0 110.108 174.492 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -68.09 -11.94 62.01 Favored Glycine 0 CA--C 1.52 0.366 0 CA-C-N 115.817 -0.629 . . . . 0.0 113.13 -178.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.489 HG23 HG23 ' A' ' 95' ' ' VAL . 16.6 m -119.14 14.01 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 117.01 0.405 . . . . 0.0 111.29 177.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 69.26 22.11 6.81 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 175.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.489 HG23 HG23 ' A' ' 93' ' ' VAL . 96.6 t -95.34 114.77 32.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.047 0.451 . . . . 0.0 110.318 178.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 42.7 t -76.25 106.5 6.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.094 179.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.587 HD22 HD12 ' A' ' 90' ' ' LEU . 65.1 tp -88.46 118.18 27.91 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.359 -177.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -126.47 125.91 42.88 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 174.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.541 HG21 ' O ' ' A' ' 80' ' ' TRP . 5.1 m -104.9 125.92 51.42 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.308 -179.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.476 ' O ' ' HA2' ' A' ' 74' ' ' GLY . 45.8 tpp -139.5 156.59 46.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.748 -174.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.423 ' HG3' ' HB ' ' A' ' 79' ' ' VAL . 44.5 mt-30 -83.2 167.6 17.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.877 177.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.444 ' O ' HG13 ' A' ' 106' ' ' ILE . 7.8 m -44.17 -64.47 0.67 Allowed 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -170.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -52.86 -67.91 1.87 Allowed Glycine 0 C--N 1.333 0.382 0 C-N-CA 121.453 -0.403 . . . . 0.0 113.621 -173.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -56.12 -29.81 76.43 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.722 2.281 . . . . 0.0 112.903 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.0 -48.62 73.3 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.549 0.214 . . . . 0.0 110.928 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 102' ' ' THR . 69.9 mt -59.75 -44.13 93.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.706 -179.17 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 18.8 mtm180 -62.26 -51.53 67.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.585 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 27.0 m -62.49 -41.08 98.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.231 -176.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.403 ' CD1' ' HB2' ' A' ' 121' ' ' ALA . 64.5 t80 -61.17 -53.45 56.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.073 -179.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -57.7 -42.57 84.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.784 0.326 . . . . 0.0 111.376 -177.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 83.0 mt -70.26 -45.07 76.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.002 -178.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.681 ' HB3' HG11 ' A' ' 119' ' ' VAL . 35.0 tpp -66.68 -31.41 72.06 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.951 0.405 . . . . 0.0 110.64 -177.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.9 mm -69.29 -41.85 81.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.29 173.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -60.61 -42.5 99.25 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.274 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -81.69 -3.88 54.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.908 0.385 . . . . 0.0 110.867 178.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 55.29 48.98 18.05 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.003 174.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.56 ' HD3' ' SD ' ' A' ' 112' ' ' MET . 44.7 mtp85 -92.5 33.91 1.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.555 -178.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.495 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 48.7 mtm-85 59.48 47.01 11.53 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.789 171.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.681 HG11 ' HB3' ' A' ' 112' ' ' MET . 10.7 p -106.39 146.9 12.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.895 0.379 . . . . 0.0 111.426 -175.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -130.38 154.33 47.8 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 173.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.427 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -121.84 128.99 52.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.201 0.524 . . . . 0.0 111.91 -176.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -110.89 99.15 8.1 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 173.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 91.0 mt -103.91 120.78 41.73 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.977 0.418 . . . . 0.0 111.651 -171.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 65.1 mt -108.53 139.5 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.425 175.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -102.49 178.07 4.69 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.951 0.405 . . . . 0.0 111.109 -177.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 22.7 m . . . . . 0 C--N 1.324 -0.537 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.699 179.109 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 120.47 0.176 . . . . 0.0 110.619 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 56.38 -160.84 0.2 Allowed 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.596 -175.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -82.75 73.4 9.79 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.236 0.541 . . . . 0.0 110.532 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.9 mtp85 60.75 11.57 3.25 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.012 -0.995 . . . . 0.0 113.039 174.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.5 m -158.52 149.32 20.36 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -68.88 154.29 42.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.803 0.335 . . . . 0.0 110.569 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.426 ' H ' HG13 ' A' ' 7' ' ' ILE . 2.6 pp -75.77 145.78 78.77 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.538 178.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -59.07 131.72 43.12 Favored 'Trans proline' 0 C--O 1.233 0.261 0 C-N-CA 122.782 2.321 . . . . 0.0 112.777 -177.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -103.64 140.26 37.81 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 176.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.463 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 57.2 m-85 -84.26 107.61 11.48 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.157 -179.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.698 ' HA ' ' HA ' ' A' ' 41' ' ' ALA . 7.9 Cg_endo -87.05 101.01 0.53 Allowed 'Trans proline' 0 N--CA 1.452 -0.934 0 C-N-CA 123.218 2.612 . . . . 0.0 112.412 -174.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.424 ' O ' ' HD2' ' A' ' 12' ' ' ARG . 6.9 tmm_? 61.4 89.48 0.08 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.681 0.753 . . . . 0.0 110.858 179.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.571 HG22 ' H ' ' A' ' 15' ' ' ALA . 29.4 m -114.14 136.7 52.65 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.325 -178.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -104.33 -5.02 22.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.093 0.473 . . . . 0.0 111.023 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.571 ' H ' HG22 ' A' ' 13' ' ' THR . . . -105.57 110.1 22.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.541 -176.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 57.0 mt -108.47 137.68 39.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 173.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -142.19 150.63 41.27 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.881 -173.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 25' ' ' TYR . . . 52.89 84.57 0.05 Allowed 'General case' 0 N--CA 1.465 0.308 0 O-C-N 124.287 0.992 . . . . 0.0 112.775 174.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.448 ' OH ' HG13 ' A' ' 126' ' ' VAL . 52.7 t80 -107.54 131.61 54.15 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.364 177.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 148.79 -104.57 0.28 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.471 177.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -75.24 116.56 16.1 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.965 0.412 . . . . 0.0 110.033 -177.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.47 -1.27 62.02 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.479 -175.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.06 -113.53 4.31 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.066 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -111.57 98.18 7.26 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.497 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 83.7 t80 -92.72 93.41 8.45 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.404 0.621 . . . . 0.0 110.022 -178.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -142.69 135.41 27.99 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.336 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 60.67 83.23 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.03 0.831 . . . . 0.0 112.577 175.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.4 -69.65 2.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.828 -0.701 . . . . 0.0 114.094 170.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.2 tpt -136.23 156.64 48.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.84 0.32 . . . . 0.0 111.242 -171.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.7 m -63.27 138.73 58.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.162 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -119.78 107.41 13.15 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -116.23 175.42 5.56 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.716 0.293 . . . . 0.0 111.098 -176.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.99 -114.12 4.6 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 -176.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.488 ' OG ' ' HB3' ' A' ' 45' ' ' TRP . 7.7 p -141.88 133.08 26.31 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 175.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 97.6 mt -114.13 136.86 52.47 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.047 -176.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.589 ' HG ' ' HB2' ' A' ' 45' ' ' TRP . 97.4 mt -106.26 98.57 8.23 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.963 176.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.543 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 90.0 m-85 -78.34 96.76 5.39 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.7 mt -107.65 156.49 37.87 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.41 -177.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -57.12 -29.46 83.37 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.598 2.199 . . . . 0.0 112.097 175.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -70.92 -56.19 6.78 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.441 177.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.698 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -169.82 172.97 6.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.042 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.9 t -90.05 101.71 12.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 175.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -103.03 165.17 11.18 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.679 -176.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.03 141.51 15.56 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.101 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.589 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 6.5 t90 -100.6 153.88 19.04 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -100.29 22.69 11.15 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.326 0.584 . . . . 0.0 111.338 -172.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.454 HG13 ' HB2' ' A' ' 52' ' ' GLN . 71.5 t -102.88 129.77 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.13 177.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.6 m -93.38 -42.04 9.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.765 -174.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -139.2 163.68 44.19 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.919 -174.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -56.51 165.88 4.08 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.647 2.232 . . . . 0.0 112.305 174.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 71.29 -21.57 0.2 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.53 0.732 . . . . 0.0 112.196 -177.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.454 ' HB2' HG13 ' A' ' 47' ' ' VAL . 49.2 mt-30 -76.88 -5.92 50.36 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.114 0.483 . . . . 0.0 110.26 173.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.434 HD11 HD11 ' A' ' 124' ' ' ILE . 52.6 mt -77.8 86.79 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.548 0.69 . . . . 0.0 109.958 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -108.84 169.99 8.32 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.448 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.3 mtm-85 -59.59 -32.74 70.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.702 0.287 . . . . 0.0 110.806 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -76.67 -28.94 56.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.038 178.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.8 m -73.54 -20.42 60.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.244 0.545 . . . . 0.0 110.176 178.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.6 mt -88.61 19.76 3.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.675 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -49.81 -60.58 2.77 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.64 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -66.56 -19.56 65.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 -176.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.8 t -74.86 -52.58 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.293 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -63.55 -34.41 77.74 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.163 0.506 . . . . 0.0 110.432 176.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -59.63 -36.11 75.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.372 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -111.69 14.99 21.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.042 -177.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.3 -9.04 36.94 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -175.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -71.84 -26.65 62.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.029 0.442 . . . . 0.0 110.466 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.61 1.98 41.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.662 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.3 mt -105.51 115.23 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.851 -176.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.482 ' HB3' ' HB2' ' A' ' 118' ' ' ARG . 10.6 t70 -96.32 -47.67 5.91 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.39 175.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.417 ' HB ' HG23 ' A' ' 119' ' ' VAL . 4.9 m -117.29 133.97 55.35 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.11 178.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 55.3 tp -119.66 111.34 17.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.926 0.393 . . . . 0.0 110.199 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 61.9 mt -93.75 117.56 37.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.031 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 87.5 t -101.81 111.06 30.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.815 0.341 . . . . 0.0 110.383 177.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.422 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -96.33 108.21 3.64 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 176.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 22.1 p -84.41 7.2 20.42 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -173.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.52 -115.65 4.36 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.711 -0.757 . . . . 0.0 113.312 174.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.17 -22.24 18.57 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -172.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -127.5 155.73 43.28 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -178.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.4 t -90.83 104.42 15.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.058 0.456 . . . . 0.0 111.369 -175.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.439 ' O ' HG21 ' A' ' 99' ' ' THR . 74.8 t90 -97.9 113.82 25.74 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 174.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 7.4 tp -86.98 125.47 40.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 120.977 0.418 . . . . 0.0 110.639 -177.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.14 132.29 93.78 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.418 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.88 149.86 40.1 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.927 2.418 . . . . 0.0 112.088 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 -50.94 -49.36 59.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.93 -176.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -61.82 -46.18 90.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.567 0.222 . . . . 0.0 111.094 -177.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.57 -43.86 98.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.983 0.42 . . . . 0.0 110.673 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.668 ' HG3' HD23 ' A' ' 97' ' ' LEU . 50.8 ttt180 -64.58 -40.46 95.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.428 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -73.31 -35.06 66.02 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.256 -176.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.44 -44.07 92.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.717 177.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.796 HD12 HD22 ' A' ' 97' ' ' LEU . 89.8 mt -63.6 -35.97 82.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.616 178.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -60.88 -33.37 73.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.277 175.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -71.31 -15.97 75.15 Favored Glycine 0 N--CA 1.452 -0.248 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.542 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.41 ' O ' ' HB2' ' A' ' 94' ' ' ASN . 10.3 t -94.61 3.37 9.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 177.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 93' ' ' VAL . 45.2 m-80 71.32 17.96 5.74 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.264 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 58.1 t -92.54 117.97 37.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.391 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.8 t -73.6 100.98 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.03 178.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.796 HD22 HD12 ' A' ' 90' ' ' LEU . 40.6 tp -90.17 130.56 36.3 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.158 -178.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -137.87 133.8 34.3 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 173.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.439 HG21 ' O ' ' A' ' 80' ' ' TRP . 22.8 m -106.13 123.99 48.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.268 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.516 ' SD ' ' HB2' ' A' ' 104' ' ' PRO . 40.6 ttm -146.64 165.69 28.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.09 -174.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -77.32 149.25 35.33 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 173.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.567 ' O ' HG13 ' A' ' 106' ' ' ILE . 5.9 m -54.03 -42.29 69.0 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -171.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -55.56 -67.37 2.25 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 121.051 -0.595 . . . . 0.0 113.217 -177.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.516 ' HB2' ' SD ' ' A' ' 100' ' ' MET . 32.3 Cg_exo -59.01 -27.85 86.2 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.531 2.154 . . . . 0.0 112.059 177.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.08 -40.69 94.99 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.522 177.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.567 HG13 ' O ' ' A' ' 102' ' ' THR . 88.8 mt -59.07 -45.99 92.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.314 176.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.416 ' O ' HG13 ' A' ' 111' ' ' ILE . 83.9 mtt180 -63.6 -50.77 68.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.052 178.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.9 m -62.0 -37.61 85.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.85 0.357 . . . . 0.0 110.967 -178.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -61.76 -47.29 85.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.458 176.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -59.58 -29.1 67.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.145 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 107' ' ' ARG . 78.1 mt -77.57 -51.88 17.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.03 178.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 65.5 mtm -77.58 -20.38 54.11 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -173.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 10.1 tp -63.94 -35.27 72.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.754 0.311 . . . . 0.0 110.511 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -87.21 -23.01 42.29 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.637 -0.792 . . . . 0.0 111.758 177.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -72.08 -70.6 0.33 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.77 0.319 . . . . 0.0 110.705 -178.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.463 ' O ' ' HG3' ' A' ' 118' ' ' ARG . 2.9 ptp180 -99.21 -28.09 13.5 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -175.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.6 4.52 3.39 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 122.591 0.356 . . . . 0.0 111.666 -177.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.482 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 34.3 mtt180 -108.72 26.41 10.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.209 0.528 . . . . 0.0 110.137 -178.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.417 HG23 ' HB ' ' A' ' 70' ' ' THR . 7.2 p -105.59 132.4 52.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.984 -174.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -115.84 136.23 53.24 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.631 177.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.543 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -114.51 118.11 32.85 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.982 0.42 . . . . 0.0 111.14 -177.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -104.12 96.11 6.43 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 175.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 90.3 mt -109.09 126.23 52.97 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.065 -174.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.434 HD11 HD11 ' A' ' 53' ' ' ILE . 57.7 mt -101.5 140.29 20.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.841 177.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.28 151.73 36.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.887 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.451 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . 22.7 m -66.29 135.53 94.92 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.612 -178.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 126' ' ' VAL . 6.5 Cg_exo -73.57 80.6 1.97 Allowed 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.751 2.3 . . . . 0.0 111.025 174.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 41.9 tp -67.71 -17.14 64.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.717 -178.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.407 ' H ' ' HG3' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -91.98 5.44 50.1 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.052 179.636 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 15.6 p80 46.82 24.31 0.34 Allowed 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.563 1.145 . . . . 0.0 112.87 175.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -92.98 107.35 19.15 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.966 0.412 . . . . 0.0 110.656 -174.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 12.5 p80 -129.02 -4.12 5.07 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.474 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 70.17 176.63 0.28 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.37 177.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -168.27 140.95 3.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.778 -0.647 . . . . 0.0 109.741 178.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 9.3 p80 . . . . . 0 C--O 1.247 0.945 0 CA-C-O 119.302 -0.38 . . . . 0.0 110.245 175.627 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.7 mtp . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 58.79 -162.62 0.23 Allowed 'General case' 0 C--O 1.235 0.292 0 O-C-N 123.591 0.557 . . . . 0.0 110.864 -176.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -117.78 136.18 53.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.357 178.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.4 ttt85 -60.09 106.83 0.55 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.532 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 p -172.3 -42.03 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.234 -176.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -95.2 -97.53 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.087 -175.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.586 HG21 ' HA ' ' A' ' 11' ' ' PRO . 52.5 mt 56.12 84.29 0.21 Allowed Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.818 -176.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -77.53 73.13 5.72 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 123.15 2.567 . . . . 0.0 112.371 -176.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.444 ' HB3' ' H ' ' A' ' 10' ' ' PHE . 3.5 t-160 -173.56 -81.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.444 ' H ' ' HB3' ' A' ' 9' ' ' HIS . 40.6 m-85 -157.24 99.76 1.94 Allowed Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 173.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.586 ' HA ' HG21 ' A' ' 7' ' ' ILE . 88.4 Cg_exo -47.42 -55.68 3.73 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.973 2.449 . . . . 0.0 113.136 -174.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.495 ' HB2' ' O ' ' A' ' 11' ' ' PRO . 21.6 ttm180 169.25 85.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.287 -0.869 . . . . 0.0 108.675 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.4 t -143.77 127.19 16.82 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.273 0.559 . . . . 0.0 111.127 -173.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -106.44 64.54 0.66 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 173.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.46 102.52 15.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.362 -171.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.795 HG21 HD13 ' A' ' 106' ' ' ILE . 35.5 mm -112.09 99.38 8.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 173.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -62.9 -56.58 16.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.075 0.464 . . . . 0.0 109.912 -177.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -170.23 174.33 5.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.078 177.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 48.3 p90 -144.63 157.49 44.18 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.834 0.35 . . . . 0.0 110.225 176.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 148.82 108.53 0.49 Allowed Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.936 -0.65 . . . . 0.0 111.495 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.557 ' HA ' HD21 ' A' ' 128' ' ' LEU . 66.4 tttm 70.01 124.72 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.381 0.61 . . . . 0.0 110.951 -176.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.37 -73.46 1.68 Allowed Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.751 -178.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 177.08 -121.57 0.79 Allowed Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.485 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -114.06 137.74 51.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.654 0.264 . . . . 0.0 110.568 -177.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -104.18 109.24 20.98 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.157 177.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.517 ' HE1' ' HB2' ' A' ' 31' ' ' HIS . 14.4 p90 -140.86 138.02 33.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.219 -178.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 59.89 15.21 4.75 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 176.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.39 -0.41 63.58 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.388 -178.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 65.3 mtt -102.66 131.6 49.34 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.691 0.281 . . . . 0.0 110.932 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.7 m -94.92 90.98 6.19 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 174.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.517 ' HB2' ' HE1' ' A' ' 26' ' ' PHE . 25.7 t60 -89.3 110.02 20.84 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.19 -173.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -82.01 139.61 34.42 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.945 174.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.12 -123.62 6.78 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.292 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.4 p -133.76 155.42 49.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.093 0.473 . . . . 0.0 111.438 -178.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 49.4 mt -122.91 154.47 38.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.47 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 tt -128.39 97.07 4.61 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.54 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 78.6 m-85 -85.55 125.16 32.88 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.377 -178.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 71.2 mt -116.37 159.6 39.28 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.712 177.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -64.58 -17.11 58.51 Favored 'Trans proline' 0 CA--C 1.529 0.272 0 C-N-CA 122.573 2.182 . . . . 0.0 112.849 -178.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -100.13 -25.05 14.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.712 -0.222 . . . . 0.0 111.588 -176.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -175.97 172.87 2.36 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.87 0.366 . . . . 0.0 111.089 -178.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.0 t -94.55 128.59 45.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.039 177.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 69.9 m95 -126.37 -179.18 4.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.896 0.379 . . . . 0.0 110.313 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -115.46 160.18 13.41 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 121.028 -0.606 . . . . 0.0 111.805 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -112.99 169.51 8.87 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -118.47 23.37 11.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.573 0.702 . . . . 0.0 111.136 -171.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 68.0 t -113.62 103.16 14.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.139 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.9 m -81.28 -34.99 31.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.258 -177.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -124.28 130.12 24.46 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.325 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.27 91.8 0.22 Allowed 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.034 2.49 . . . . 0.0 113.42 -175.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -171.89 -46.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.03 174.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -80.81 42.31 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.814 -177.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 51.6 mt -81.95 80.61 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 171.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -109.11 168.66 9.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.449 -173.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.4 ttp180 -50.31 -37.52 36.88 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.128 0.571 . . . . 0.0 111.698 177.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -73.01 -34.01 66.11 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.853 0.358 . . . . 0.0 111.321 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.6 m -70.45 -24.44 62.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.386 0.612 . . . . 0.0 110.121 177.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.557 HD13 HD21 ' A' ' 90' ' ' LEU . 76.3 mt -99.74 19.84 15.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.446 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -56.29 -42.9 78.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.304 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 73.6 mtm-85 -75.47 -14.61 60.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.636 0.255 . . . . 0.0 111.233 179.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 58.4 t -82.2 -47.81 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.152 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -64.66 -33.79 76.77 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.018 0.437 . . . . 0.0 110.566 177.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -70.37 -48.67 55.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.328 -178.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -95.35 29.23 2.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.062 0.458 . . . . 0.0 110.875 -176.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.411 ' HA ' ' HB ' ' A' ' 68' ' ' ILE . . . -73.03 7.81 1.89 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.574 -179.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -78.08 -36.79 47.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.376 0.608 . . . . 0.0 109.489 174.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.81 -22.88 14.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.9 178.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.411 ' HB ' ' HA ' ' A' ' 65' ' ' ALA . 62.7 mt -84.58 94.55 3.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.046 0.45 . . . . 0.0 110.784 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.64 ' HB2' ' HD3' ' A' ' 118' ' ' ARG . 7.8 t70 -94.53 -60.49 1.7 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.791 174.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.5 m -104.51 124.09 48.65 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.792 177.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 65.5 tp -116.44 111.89 20.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.784 0.326 . . . . 0.0 110.821 -177.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 62.5 mt -97.31 120.11 46.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.198 178.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.7 t -101.3 122.88 53.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -104.27 98.4 1.54 Allowed Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.385 -176.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.1 p -120.19 97.8 5.76 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.924 0.392 . . . . 0.0 110.793 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.38 8.91 77.4 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.259 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.457 ' HB2' ' HD2' ' A' ' 127' ' ' PRO . . . -90.27 -34.83 15.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.849 0.357 . . . . 0.0 110.852 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -172.94 160.83 4.37 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 -178.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.1 t -86.9 97.71 6.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.913 0.387 . . . . 0.0 110.098 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 61.7 t90 -82.83 118.69 23.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.458 -178.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 66.4 mt -103.79 121.92 55.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.239 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.414 ' HA ' ' HD3' ' A' ' 83' ' ' PRO . . . -74.15 133.18 78.53 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 -179.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 82' ' ' ALA . 20.6 Cg_exo -65.22 165.1 23.09 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.815 2.343 . . . . 0.0 111.363 176.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.587 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 66.8 mtm-85 -64.72 -43.42 93.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.642 -173.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -60.74 -46.84 88.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.803 0.335 . . . . 0.0 110.857 -177.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.8 tp -67.81 -38.46 83.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 179.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 31.4 ttp85 -64.89 -43.77 91.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.826 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.587 ' HG2' ' O ' ' A' ' 84' ' ' ARG . 25.7 mm-40 -63.6 -32.44 73.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.933 0.397 . . . . 0.0 110.414 177.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.54 -51.71 47.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.688 177.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.557 HD21 HD13 ' A' ' 58' ' ' LEU . 74.3 mt -67.17 -54.9 16.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.031 -178.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.456 ' HA ' ' O ' ' A' ' 95' ' ' VAL . 18.6 ttt85 -74.15 -19.83 60.43 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.936 0.398 . . . . 0.0 110.738 -173.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -68.84 -33.34 75.1 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.101 177.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.51 HG23 HG23 ' A' ' 95' ' ' VAL . 27.3 m -90.79 26.54 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.841 0.353 . . . . 0.0 110.409 177.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.44 ' HB3' ' O ' ' A' ' 93' ' ' VAL . 7.0 t30 85.29 -24.24 0.14 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.968 174.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.51 HG23 HG23 ' A' ' 93' ' ' VAL . 79.3 t -60.44 108.46 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.376 0.608 . . . . 0.0 111.512 -175.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.1 t -80.02 102.51 6.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.717 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 52.2 tp -78.78 119.68 22.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.498 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -128.52 116.23 19.36 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.19 177.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.9 p -97.43 139.46 33.33 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.015 0.436 . . . . 0.0 111.384 -178.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 52.9 tpp -152.3 164.01 38.29 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.114 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -75.7 155.52 35.6 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 175.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.407 ' O ' HG13 ' A' ' 106' ' ' ILE . 31.6 m -49.07 -51.45 31.35 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -174.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.74 -68.21 1.82 Allowed Glycine 0 CA--C 1.522 0.5 0 C-N-CA 121.231 -0.509 . . . . 0.0 113.298 -177.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -57.66 -27.79 78.83 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 122.7 2.267 . . . . 0.0 112.95 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.87 -47.87 73.45 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.583 0.23 . . . . 0.0 110.713 178.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.795 HD13 HG21 ' A' ' 16' ' ' ILE . 92.3 mt -60.33 -47.03 94.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.52 179.073 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 53.7 ttm-85 -58.64 -51.94 67.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 45.8 m -64.15 -39.6 94.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -64.73 -39.22 93.28 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.282 -0.167 . . . . 0.0 110.852 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.8 -41.35 91.02 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.999 0.428 . . . . 0.0 110.743 177.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 69.3 mt -71.7 -39.54 69.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.395 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.541 ' HG2' HG21 ' A' ' 119' ' ' VAL . 2.5 tpt -65.39 -51.96 56.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.519 -178.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 11.4 tp -72.23 -17.9 19.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.895 0.379 . . . . 0.0 111.219 -175.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -66.82 -14.15 62.58 Favored Glycine 0 CA--C 1.518 0.254 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.891 -178.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -101.08 6.87 43.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.803 -0.234 . . . . 0.0 110.572 178.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 116' ' ' ARG . 13.2 ttp85 56.21 78.72 0.19 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.771 0.796 . . . . 0.0 110.083 -175.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -122.54 151.05 41.76 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.184 -174.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.64 ' HD3' ' HB2' ' A' ' 69' ' ' ASP . 10.0 ptp180 -69.59 78.69 0.42 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.375 0.607 . . . . 0.0 110.793 174.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.541 HG21 ' HG2' ' A' ' 112' ' ' MET . 9.7 p -138.58 146.54 26.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.414 -176.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -128.86 155.55 45.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.347 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.54 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -130.62 120.37 23.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.918 0.389 . . . . 0.0 111.522 -178.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -105.5 97.57 7.39 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 175.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 91.5 mt -103.3 126.86 50.69 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.048 -173.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 55.1 mt -111.47 138.8 38.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.975 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.89 156.66 38.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.031 0.443 . . . . 0.0 111.161 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 42.6 t -96.59 126.68 42.43 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.421 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.501 ' HB2' ' HB2' ' A' ' 130' ' ' HIS . 18.2 Cg_endo -58.64 151.0 66.11 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.862 2.374 . . . . 0.0 111.45 175.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.557 HD21 ' HA ' ' A' ' 21' ' ' LYS . 86.4 mt -85.07 -26.85 26.71 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.426 -172.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.86 51.71 0.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.253 0.549 . . . . 0.0 111.44 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.501 ' HB2' ' HB2' ' A' ' 127' ' ' PRO . 6.9 m-70 -138.91 143.36 38.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.637 178.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -150.19 169.22 21.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.464 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -100.32 175.65 5.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.006 174.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -73.46 77.8 1.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 170.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -145.28 99.43 3.31 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.633 -175.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.653 -0.689 . . . . 0.0 109.731 -179.032 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.483 1.193 0 CA-C-O 120.446 0.165 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.33 -80.29 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.763 0.316 . . . . 0.0 111.124 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -160.07 -77.9 0.06 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.412 ' H ' ' HG2' ' A' ' 4' ' ' ARG . 3.9 ptm180 -90.12 -54.33 4.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.499 173.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m 60.86 -87.26 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.328 0 O-C-N 123.861 0.725 . . . . 0.0 112.129 173.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -90.8 91.06 8.2 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.309 0.576 . . . . 0.0 110.598 -177.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.453 ' O ' HD12 ' A' ' 7' ' ' ILE . 2.6 pp -86.89 145.26 38.24 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.45 -177.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 7' ' ' ILE . 25.1 Cg_exo -62.95 122.46 10.73 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.863 2.375 . . . . 0.0 111.867 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -81.93 113.69 20.02 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.095 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.608 ' HE1' ' HA3' ' A' ' 28' ' ' GLY . 66.6 m-85 -62.87 123.61 80.41 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.018 -177.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -82.01 63.5 8.33 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.965 2.444 . . . . 0.0 112.416 -177.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 66.22 92.76 0.07 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.215 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.5 m -91.61 103.62 16.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.803 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -100.89 -4.24 28.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.911 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.03 107.56 14.68 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.797 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.4 mt -118.58 139.62 45.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.419 -178.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -151.51 -169.31 3.34 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 178.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 25' ' ' TYR . . . 55.36 31.32 16.52 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.334 0.588 . . . . 0.0 111.609 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -104.68 130.38 52.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.267 -179.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 165.49 -40.33 0.28 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.1 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -137.9 143.47 40.85 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.59 -52.69 4.49 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.44 177.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.03 -121.14 0.99 Allowed Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 111.636 -0.586 . . . . 0.0 111.636 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -127.19 116.8 21.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.919 0.39 . . . . 0.0 110.791 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.433 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 64.2 t80 -111.46 98.82 7.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.89 174.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -116.11 170.47 8.48 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.981 178.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.4 110.62 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 O-C-N 123.697 0.623 . . . . 0.0 110.907 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.608 ' HA3' ' HE1' ' A' ' 10' ' ' PHE . . . 128.67 -108.63 0.92 Allowed Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.761 -177.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.536 ' HB2' ' HZ ' ' A' ' 10' ' ' PHE . 26.4 mmt -118.89 142.84 47.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.949 0.404 . . . . 0.0 110.862 -175.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.7 p -83.06 152.85 25.18 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.074 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.675 ' HB2' HD21 ' A' ' 35' ' ' LEU . 68.9 m80 -145.25 164.31 31.77 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -109.83 -71.53 0.76 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -174.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.81 -80.2 0.24 Allowed Glycine 0 N--CA 1.455 -0.061 0 CA-C-N 115.857 -0.61 . . . . 0.0 114.091 -168.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.577 ' OG ' ' HB3' ' A' ' 45' ' ' TRP . 7.8 p -145.6 150.07 35.7 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.174 0.511 . . . . 0.0 111.572 -175.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.675 HD21 ' HB2' ' A' ' 31' ' ' HIS . 3.6 mm? -121.64 151.68 40.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.777 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.7 mt -112.29 96.39 5.99 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.698 177.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.561 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 85.8 m-85 -84.24 95.45 8.68 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.106 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.0 mt -85.57 164.03 41.89 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.508 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -71.65 17.07 0.31 Allowed 'Trans proline' 0 CA--C 1.533 0.45 0 C-N-CA 123.005 2.47 . . . . 0.0 113.804 -175.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -154.15 -32.14 0.11 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -144.34 156.52 44.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.721 0.296 . . . . 0.0 110.913 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.3 t -105.42 116.94 50.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.534 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 35.9 m95 -108.7 174.33 5.92 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.751 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -105.07 150.25 16.99 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.452 176.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.577 ' HB3' ' OG ' ' A' ' 34' ' ' SER . 5.1 t90 -106.58 162.95 13.29 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -110.18 25.56 11.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.348 0.594 . . . . 0.0 110.465 -172.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.415 HG13 ' HB3' ' A' ' 52' ' ' GLN . 92.6 t -113.68 135.42 53.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.583 -178.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 33.1 m -89.51 -38.09 14.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.295 -177.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.605 ' HB2' ' HD2' ' A' ' 50' ' ' PRO . 23.6 pttm -152.83 164.99 18.56 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.682 -0.236 . . . . 0.0 110.689 -177.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.605 ' HD2' ' HB2' ' A' ' 49' ' ' LYS . 11.1 Cg_endo -55.09 166.39 2.25 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.97 2.446 . . . . 0.0 112.444 176.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.506 ' HA ' ' CZ2' ' A' ' 80' ' ' TRP . 34.5 tt0 75.26 -27.39 0.19 Allowed 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.475 0.71 . . . . 0.0 111.062 -178.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.415 ' HB3' HG13 ' A' ' 47' ' ' VAL . 61.8 tt0 -77.83 -2.09 34.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.669 0.747 . . . . 0.0 109.936 174.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 57.2 mt -76.05 110.59 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.294 178.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.49 ' H ' ' HB2' ' A' ' 57' ' ' SER . 2.8 p30 -145.27 -173.32 4.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.796 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.5 ttp-105 -62.99 -36.39 83.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.036 -173.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -78.31 -39.04 40.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.06 0.457 . . . . 0.0 110.232 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.49 ' HB2' ' H ' ' A' ' 54' ' ' ASP . 32.8 m -67.19 -20.81 65.77 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.904 178.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.527 HD12 HD11 ' A' ' 86' ' ' LEU . 85.5 mt -97.17 17.32 17.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.436 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -55.46 -49.74 71.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.436 0.16 . . . . 0.0 111.407 -178.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.7 ttm-85 -62.59 -24.08 67.37 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.982 0.42 . . . . 0.0 110.82 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 65.2 t -77.18 -47.93 25.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.118 178.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.426 ' HA ' ' HB2' ' A' ' 65' ' ' ALA . 66.7 m-85 -64.95 -29.7 70.65 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.128 0.49 . . . . 0.0 110.505 176.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -62.19 -30.76 71.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.09 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -123.31 23.78 8.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.67 -177.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.426 ' HB2' ' HA ' ' A' ' 62' ' ' PHE . . . -62.69 -23.93 67.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.999 -175.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -66.87 -18.98 65.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.962 0.41 . . . . 0.0 111.134 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -105.69 6.7 32.15 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.758 -179.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 58.6 mt -112.67 130.16 66.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.245 0.545 . . . . 0.0 111.097 -176.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.528 ' HB3' ' HB2' ' A' ' 118' ' ' ARG . 3.3 t70 -114.7 -47.72 2.88 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.844 178.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 63.8 m -124.66 126.6 45.99 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.102 177.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 57.8 tp -110.1 113.02 25.38 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 62.1 mt -103.28 111.17 32.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.816 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.0 t -94.69 114.9 32.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.061 -178.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -82.86 106.12 2.72 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 175.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.585 ' HB ' ' O ' ' A' ' 78' ' ' ASP . 0.7 OUTLIER -87.78 -1.04 57.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.19 0.519 . . . . 0.0 111.674 -173.155 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.43 -113.11 4.56 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.234 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -109.98 6.26 22.97 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -175.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.585 ' O ' ' HB ' ' A' ' 75' ' ' THR . 35.7 t70 -147.07 151.36 36.74 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.2 t -90.91 108.14 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.928 0.394 . . . . 0.0 110.814 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.506 ' CZ2' ' HA ' ' A' ' 51' ' ' GLU . 40.6 t90 -88.06 140.05 29.89 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 175.018 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 63.2 mt -87.2 100.58 10.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.1 0.476 . . . . 0.0 110.059 -178.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.436 ' HA ' ' HD3' ' A' ' 83' ' ' PRO . . . -58.71 139.99 85.83 Favored Pre-proline 0 C--O 1.236 0.368 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.553 177.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.493 ' HD3' ' CH2' ' A' ' 80' ' ' TRP . 50.3 Cg_exo -53.74 134.45 58.7 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.304 2.669 . . . . 0.0 113.103 -175.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -55.12 -46.95 75.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.486 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.65 -46.12 91.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.109 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.527 HD11 HD12 ' A' ' 58' ' ' LEU . 43.3 tp -61.64 -39.93 93.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.505 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 30.0 ttm105 -62.08 -45.54 93.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.567 176.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -68.66 -27.47 66.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.74 -49.27 66.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.949 0.404 . . . . 0.0 110.362 176.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.698 ' HB3' ' HB ' ' A' ' 95' ' ' VAL . 95.8 mt -64.54 -42.26 95.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.151 0.501 . . . . 0.0 110.239 176.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 91' ' ' ARG . 0.1 OUTLIER -62.66 -30.36 71.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.603 178.068 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -67.73 -29.47 73.83 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.099 177.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 40.6 t -83.28 -81.43 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.71 0.291 . . . . 0.0 110.31 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -168.1 15.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.267 0.556 . . . . 0.0 110.143 -178.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.698 ' HB ' ' HB3' ' A' ' 90' ' ' LEU . 48.8 t -114.81 119.52 61.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.914 0.388 . . . . 0.0 111.868 -168.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.6 t -84.62 123.85 39.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 171.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.414 HD22 HD12 ' A' ' 90' ' ' LEU . 58.2 tp -99.89 107.92 20.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.956 0.408 . . . . 0.0 111.64 -174.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -114.93 142.84 46.06 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.436 HG22 ' OG1' ' A' ' 75' ' ' THR . 1.1 m -129.32 127.65 41.54 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 -177.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 24.3 ptp -157.79 178.3 10.4 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.579 0.228 . . . . 0.0 110.898 -176.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 -65.47 160.65 21.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.848 0.356 . . . . 0.0 111.229 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.434 ' O ' HG13 ' A' ' 106' ' ' ILE . 0.7 OUTLIER -63.19 -40.56 97.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.031 -177.596 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -54.45 -64.17 4.54 Favored Glycine 0 CA--C 1.522 0.486 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.805 178.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -57.04 -33.51 95.85 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.79 2.327 . . . . 0.0 112.793 177.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.65 -44.62 89.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.747 0.308 . . . . 0.0 111.209 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 102' ' ' THR . 79.5 mt -64.0 -40.26 88.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.211 0.529 . . . . 0.0 109.906 176.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.407 ' O ' HG13 ' A' ' 111' ' ' ILE . 27.5 ttm-85 -65.88 -46.25 79.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.066 -178.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.4 p -66.41 -40.43 89.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.561 -177.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -60.95 -45.68 93.75 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 175.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -55.52 -33.48 63.82 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.117 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 107' ' ' ARG . 83.2 mt -79.54 -53.27 13.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.225 179.029 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 65.8 mtt -64.98 -32.79 74.69 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -173.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 11.0 tp -66.2 -24.43 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.026 0.441 . . . . 0.0 110.748 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -70.37 -30.17 69.45 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.838 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -89.59 2.85 54.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.802 0.334 . . . . 0.0 110.828 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' ' 116' ' ' ARG . 20.4 ttm-85 59.68 32.89 21.73 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.65 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -81.92 145.49 30.29 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 174.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.528 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 97.5 mtt180 -70.85 75.69 0.62 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.39 0.614 . . . . 0.0 110.886 -178.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 7.2 p -106.49 129.22 60.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.651 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -116.86 121.39 41.35 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.627 177.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.561 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -101.78 109.6 21.4 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.086 0.469 . . . . 0.0 110.933 -178.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -93.96 95.57 9.15 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.158 176.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 80.3 mt -100.64 114.96 29.1 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.121 -173.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 57.0 mt -97.91 128.37 49.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.815 176.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -73.39 148.05 43.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.318 178.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 18.9 m -64.29 134.95 96.14 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.031 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -74.0 2.95 5.48 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.806 2.337 . . . . 0.0 112.294 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 94.5 mt 67.4 108.47 0.04 OUTLIER 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.943 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -73.44 -138.4 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.856 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.418 ' HD2' ' HA ' ' A' ' 133' ' ' HIS . 53.4 t60 -43.92 115.68 0.85 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.045 174.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -78.68 143.86 35.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.823 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 39.8 m80 59.36 70.14 0.67 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.293 0.568 . . . . 0.0 109.869 -172.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.418 ' HA ' ' HD2' ' A' ' 130' ' ' HIS . 5.2 p80 -83.74 82.77 8.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.844 -175.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 81.2 t60 65.74 -78.49 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.993 177.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 . . . . . 0 C--O 1.245 0.865 0 CA-C-O 118.626 -0.702 . . . . 0.0 109.179 173.942 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.4 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 120.707 0.289 . . . . 0.0 111.122 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.69 177.43 7.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.671 0.272 . . . . 0.0 110.886 -177.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -77.08 86.0 3.57 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.245 0.545 . . . . 0.0 109.81 176.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.613 ' HD2' ' HG2' ' A' ' 6' ' ' GLU . 35.6 ttm180 -165.4 155.27 12.94 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.246 -175.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.401 ' N ' ' HG2' ' A' ' 4' ' ' ARG . 26.4 t -84.26 78.39 9.8 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 169.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.613 ' HG2' ' HD2' ' A' ' 4' ' ' ARG . 36.2 mt-10 -76.02 -73.85 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.264 -170.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.1 pt -126.65 94.78 39.36 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-O 121.141 0.496 . . . . 0.0 110.969 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -72.85 77.48 2.29 Favored 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 123.043 2.495 . . . . 0.0 112.158 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.406 ' O ' ' HD3' ' A' ' 11' ' ' PRO . 32.7 m170 -116.74 159.11 22.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.006 177.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.414 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 89.6 m-85 -98.52 94.39 2.37 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 170.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 10' ' ' PHE . 6.1 Cg_exo -77.17 97.59 1.16 Allowed 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 123.077 2.518 . . . . 0.0 113.841 -167.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.475 HH21 ' HD2' ' A' ' 117' ' ' ARG . 69.0 mtp85 53.84 33.53 17.28 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.418 169.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.9 t -90.84 118.09 29.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.612 0.72 . . . . 0.0 110.853 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -104.37 26.21 9.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.135 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.38 102.32 15.01 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.92 -176.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.51 HD12 HG23 ' A' ' 106' ' ' ILE . 63.9 mt -111.23 112.49 40.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.242 176.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -81.11 -45.9 15.75 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -174.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -143.51 127.91 17.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.813 0.339 . . . . 0.0 111.705 -177.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -111.04 124.03 51.36 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 172.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.402 ' O ' ' HB3' ' A' ' 21' ' ' LYS . . . 92.95 140.73 10.09 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 -173.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.402 ' HB3' ' O ' ' A' ' 20' ' ' GLY . 86.9 tttt 68.27 111.85 0.04 OUTLIER 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.435 0.636 . . . . 0.0 110.123 -172.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 75.24 11.31 84.2 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 120.827 -0.701 . . . . 0.0 111.859 -172.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.56 -105.53 2.74 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.75 -178.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -131.76 120.02 22.1 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 176.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -100.84 101.33 12.14 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 178.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -102.65 177.22 4.92 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 175.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.95 93.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.941 0.4 . . . . 0.0 110.935 177.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 148.47 -75.93 0.26 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.558 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 23.1 ptp -148.14 168.03 23.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.737 0.303 . . . . 0.0 111.309 -177.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.9 m -87.89 123.18 32.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.457 176.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -124.96 105.79 9.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.658 0.266 . . . . 0.0 110.613 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -84.7 150.86 24.83 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 175.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 122.42 -103.64 0.85 Allowed Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 -177.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.1 t -153.26 143.58 22.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.834 0.35 . . . . 0.0 110.196 177.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 84.4 mt -130.37 136.74 49.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.352 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.58 101.6 9.99 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -83.04 107.3 15.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.489 -178.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.431 HD12 ' CD1' ' A' ' 43' ' ' TRP . 94.1 mt -103.33 155.4 36.81 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.688 176.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.473 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 52.8 Cg_exo -56.32 -23.73 47.78 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.775 2.317 . . . . 0.0 113.014 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -90.39 -53.91 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 0.0 111.132 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -150.79 159.05 44.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.84 0.353 . . . . 0.0 111.306 -176.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.9 t -90.59 113.64 26.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.924 176.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.431 ' CD1' HD12 ' A' ' 38' ' ' LEU . 98.1 m95 -106.24 160.52 15.28 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.915 0.388 . . . . 0.0 110.904 -178.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.56 132.13 11.06 Favored Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 175.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -103.17 132.48 49.4 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -93.47 63.12 3.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.355 0.598 . . . . 0.0 110.544 -173.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.529 HG13 ' HB3' ' A' ' 52' ' ' GLN . 78.3 t -137.71 137.04 45.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.747 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 28.2 m -91.51 -42.69 10.12 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.784 0.291 . . . . 0.0 111.784 -176.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.504 ' HE3' ' HB2' ' A' ' 51' ' ' GLU . 58.8 pttt -139.84 159.32 65.25 Favored Pre-proline 0 C--N 1.33 -0.266 0 O-C-N 122.278 -0.264 . . . . 0.0 111.19 -177.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.599 ' HB3' HG22 ' A' ' 75' ' ' THR . 39.8 Cg_exo -58.42 -27.23 81.0 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.097 2.532 . . . . 0.0 113.195 -179.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.504 ' HB2' ' HE3' ' A' ' 49' ' ' LYS . 48.9 mt-10 -76.58 -4.16 41.4 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.037 0.446 . . . . 0.0 111.13 -178.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.529 ' HB3' HG13 ' A' ' 47' ' ' VAL . 36.3 tt0 -97.68 8.51 44.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.447 0.641 . . . . 0.0 109.926 -178.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.47 HG22 HD21 ' A' ' 86' ' ' LEU . 74.1 mt -77.42 117.09 21.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.669 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -144.7 173.1 12.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.416 -178.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 76.4 mtm-85 -55.73 -37.07 67.97 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 122.558 0.343 . . . . 0.0 111.443 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -72.12 -33.1 67.54 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -177.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.8 p -85.64 -23.4 27.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.007 0.432 . . . . 0.0 110.426 178.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.428 HD13 HD21 ' A' ' 90' ' ' LEU . 91.9 mt -91.53 13.48 17.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.071 176.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -56.33 -38.1 70.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.674 0.273 . . . . 0.0 111.001 -178.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.6 -30.42 70.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.911 0.386 . . . . 0.0 110.604 177.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.6 t -72.26 -43.98 64.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.581 -179.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -70.82 -31.81 68.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.037 0.446 . . . . 0.0 110.836 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -78.06 -46.71 20.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.245 -178.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -94.76 26.72 3.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.209 0.528 . . . . 0.0 110.267 -176.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.89 -21.64 66.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.579 -174.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -70.96 -26.24 63.07 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.653 0.263 . . . . 0.0 111.669 -176.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -94.32 -6.92 43.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.434 -177.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 22.9 pt -120.81 114.87 45.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.612 0.72 . . . . 0.0 111.957 -176.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.425 ' HB3' ' HB3' ' A' ' 118' ' ' ARG . 5.4 t70 -91.05 -50.66 5.74 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.514 174.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.7 m -114.49 126.95 55.53 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.985 178.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -113.22 114.4 26.68 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.479 ' HA ' ' O ' ' A' ' 98' ' ' ASP . 58.0 mt -102.82 128.84 55.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.422 -179.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 62.8 t -111.72 124.23 68.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.36 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -93.97 95.36 1.93 Allowed Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 177.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.599 HG22 ' HB3' ' A' ' 50' ' ' PRO . 17.3 p -83.2 51.7 2.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.108 0.48 . . . . 0.0 112.141 -174.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.521 ' HA2' HG22 ' A' ' 126' ' ' VAL . . . 77.29 -128.48 8.99 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.756 177.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -110.28 18.63 19.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.988 0.423 . . . . 0.0 111.239 -176.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -150.63 162.64 40.28 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.3 t -94.47 96.56 6.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.008 0.433 . . . . 0.0 110.971 -177.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.538 ' O ' HG21 ' A' ' 99' ' ' THR . 81.1 t90 -80.29 121.41 25.62 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 175.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 7.8 tp -87.5 122.66 39.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.408 0.623 . . . . 0.0 110.72 -176.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.05 140.75 83.34 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.412 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_exo -56.76 146.17 79.1 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.562 2.174 . . . . 0.0 111.708 178.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 84' ' ' ARG . 9.3 mmm180 -60.19 -37.78 81.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.884 -173.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.468 ' H ' ' NE2' ' A' ' 85' ' ' GLN . 1.5 mp0 -60.7 -40.52 92.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.89 0.376 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.47 HD21 HG22 ' A' ' 53' ' ' ILE . 58.0 tp -74.9 -37.42 62.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.838 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.586 ' HG3' HD23 ' A' ' 97' ' ' LEU . 8.1 ttp180 -67.79 -48.8 65.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.258 -178.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.78 -19.06 62.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.149 179.163 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.46 -45.25 84.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.842 0.353 . . . . 0.0 110.109 174.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.491 HD12 HD22 ' A' ' 97' ' ' LEU . 95.6 mt -66.67 -36.54 82.79 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.182 176.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -69.51 -20.19 63.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.596 178.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -59.3 -35.42 84.7 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.914 -0.585 . . . . 0.0 112.723 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -89.7 -85.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.993 177.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -160.0 14.05 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.861 0.362 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 58.8 t -95.15 114.07 30.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.927 0.394 . . . . 0.0 111.27 -172.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.9 t -87.95 109.68 19.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.608 174.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.586 HD23 ' HG3' ' A' ' 87' ' ' ARG . 55.7 tp -86.95 128.75 35.07 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.293 -176.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.479 ' O ' ' HA ' ' A' ' 72' ' ' ILE . 38.4 t70 -128.95 120.83 26.81 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.423 173.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.538 HG21 ' O ' ' A' ' 80' ' ' TRP . 12.0 m -105.29 130.57 53.39 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.435 -177.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.475 ' CG ' ' HB2' ' A' ' 104' ' ' PRO . 42.5 tpp -150.07 163.21 38.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.228 -175.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.456 ' HB2' ' HD2' ' A' ' 104' ' ' PRO . 58.3 mt-30 -66.24 152.46 44.83 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 173.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.422 ' O ' HG13 ' A' ' 106' ' ' ILE . 4.8 p -49.8 -49.55 48.31 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -175.324 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -53.79 -68.81 1.45 Allowed Glycine 0 CA--C 1.523 0.538 0 C-N-CA 121.312 -0.471 . . . . 0.0 113.201 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.475 ' HB2' ' CG ' ' A' ' 100' ' ' MET . 41.1 Cg_exo -57.9 -30.24 88.99 Favored 'Trans proline' 0 CA--C 1.532 0.401 0 C-N-CA 122.716 2.278 . . . . 0.0 113.008 178.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.44 -49.15 70.24 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.681 0.277 . . . . 0.0 110.722 178.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.51 HG23 HD12 ' A' ' 16' ' ' ILE . 84.0 mt -58.66 -43.31 87.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.182 177.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -58.39 -52.96 63.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.732 177.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 26.0 m -59.54 -42.79 93.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.755 -178.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -64.08 -48.87 74.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.195 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -63.95 -32.87 74.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.015 -175.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 81.8 mt -77.91 -44.18 28.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.993 0.425 . . . . 0.0 110.368 176.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.9 tpt -64.34 -36.66 84.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.24 -176.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' A' ' 117' ' ' ARG . 11.1 tp -68.45 -15.19 19.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.161 0.505 . . . . 0.0 110.59 -179.049 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -99.58 -5.52 55.45 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.049 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -111.62 -29.88 7.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.378 0.609 . . . . 0.0 110.632 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -163.36 90.39 0.65 Allowed 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -174.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.48 ' HA ' HD12 ' A' ' 113' ' ' ILE . 67.7 mtm-85 -64.92 74.92 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.419 178.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.425 ' HB3' ' HB3' ' A' ' 69' ' ' ASP . 24.2 mtt180 -156.75 29.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.142 178.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.1 p -126.64 146.64 32.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.331 -174.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -134.74 152.31 51.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.916 176.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -128.07 122.77 32.94 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.99 0.424 . . . . 0.0 111.412 -177.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -100.05 107.16 19.01 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.734 175.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.1 mt -100.0 124.4 45.32 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.992 0.425 . . . . 0.0 110.988 -176.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 62.2 mt -108.86 140.48 27.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.565 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -53.15 129.2 30.38 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -174.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.521 HG22 ' HA2' ' A' ' 76' ' ' GLY . 39.0 t -78.86 117.96 69.69 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.84 175.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -60.31 128.92 27.79 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.774 2.316 . . . . 0.0 112.363 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 7.3 mp -90.41 24.0 2.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.052 0.453 . . . . 0.0 109.844 179.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -74.35 21.93 0.1 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.729 -0.668 . . . . 0.0 112.192 -175.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -107.67 -73.75 0.68 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 172.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.41 ' O ' ' HB2' ' A' ' 132' ' ' HIS . 84.6 t60 -81.29 69.56 7.94 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 173.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.41 ' HB2' ' O ' ' A' ' 131' ' ' HIS . 11.7 t-160 175.47 -40.17 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.439 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -67.73 -52.67 34.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.345 -176.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -76.28 121.5 23.05 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.977 0.417 . . . . 0.0 110.034 177.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 4.9 t60 . . . . . 0 C--N 1.317 -0.833 0 CA-C-O 117.955 -1.022 . . . . 0.0 109.519 175.341 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 tmt? . . . . . 0 N--CA 1.48 1.044 0 CA-C-O 120.677 0.275 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.24 153.34 21.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.234 178.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -65.2 -20.17 66.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.59 -176.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.5 ttp85 -76.78 69.34 3.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.221 0.534 . . . . 0.0 110.491 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 m -101.49 -57.14 2.14 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 173.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.505 ' HG3' HG13 ' A' ' 7' ' ' ILE . 9.0 tp10 68.87 130.99 0.03 OUTLIER 'General case' 0 C--O 1.232 0.179 0 CA-C-N 114.733 -1.121 . . . . 0.0 111.512 178.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.505 HG13 ' HG3' ' A' ' 6' ' ' GLU . 32.4 mt 64.94 98.13 0.04 OUTLIER Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.287 -175.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -74.95 12.0 1.3 Allowed 'Trans proline' 0 CA--C 1.531 0.375 0 C-N-CA 123.244 2.629 . . . . 0.0 113.327 -174.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.445 ' O ' HG22 ' A' ' 7' ' ' ILE . 15.5 m80 -154.85 176.68 12.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.769 0.318 . . . . 0.0 110.369 -177.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -121.25 78.92 35.17 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 172.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -89.87 106.79 0.37 Allowed 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 123.182 2.588 . . . . 0.0 113.147 -173.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.555 ' HG2' ' O ' ' A' ' 39' ' ' PRO . 39.0 mtt85 63.15 25.83 15.04 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.075 171.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.0 t -90.33 128.91 36.57 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.264 0.554 . . . . 0.0 110.299 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.87 92.82 3.29 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.458 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.19 102.55 3.37 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.937 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.0 mm -98.16 109.9 24.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 175.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -86.06 -48.87 8.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.859 0.362 . . . . 0.0 110.902 -176.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.598 ' HB3' ' HB3' ' A' ' 25' ' ' TYR . . . -128.63 136.99 51.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.06 0.457 . . . . 0.0 110.692 177.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -139.32 139.97 37.42 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.9 -179.108 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 139.86 -91.61 0.19 Allowed Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.26 -0.971 . . . . 0.0 113.043 175.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.426 ' HG3' HD21 ' A' ' 128' ' ' LEU . 86.9 tttt -107.85 121.26 44.39 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.898 0.38 . . . . 0.0 111.344 -172.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.06 -3.76 28.6 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.475 178.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.721 ' HA2' ' HB1' ' A' ' 125' ' ' ALA . . . 115.31 -139.16 15.29 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -178.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -119.1 152.96 35.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.984 0.421 . . . . 0.0 110.188 175.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.598 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 91.3 t80 -132.38 108.84 9.44 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.085 0.469 . . . . 0.0 110.542 178.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -113.57 177.13 4.74 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.109 173.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.26 91.82 0.99 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.048 0.451 . . . . 0.0 110.96 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 149.81 -78.18 0.22 Allowed Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.967 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 24.9 ttt -126.08 152.91 45.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.741 0.305 . . . . 0.0 110.984 -173.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.1 t -143.71 -167.92 2.71 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 34.9 m170 72.27 24.91 2.96 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.404 0.682 . . . . 0.0 111.505 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.445 ' HG3' HD21 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -117.91 151.58 37.13 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 176.184 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.421 ' HA2' ' CB ' ' A' ' 125' ' ' ALA . . . -114.61 8.23 22.15 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.402 -0.904 . . . . 0.0 113.258 -176.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.745 ' HB3' ' HB3' ' A' ' 45' ' ' TRP . 6.6 m -147.02 114.68 6.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 117.037 0.418 . . . . 0.0 110.805 -176.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.445 HD21 ' HG3' ' A' ' 32' ' ' GLN . 90.1 mt -135.55 137.24 41.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.91 0.386 . . . . 0.0 111.499 -178.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.1 mt -109.59 100.85 9.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.268 176.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.44 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 93.0 m-85 -90.85 92.56 8.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.861 0.362 . . . . 0.0 110.239 178.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.9 mt -96.31 158.56 33.71 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.917 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.555 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 12.2 Cg_exo -71.24 7.34 1.46 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.948 2.432 . . . . 0.0 112.362 179.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -122.69 -56.15 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.144 179.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -144.57 154.62 43.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.062 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.1 t -98.4 117.48 43.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.655 174.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -109.2 150.19 28.28 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.086 -176.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.13 127.95 8.46 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 110.764 -0.935 . . . . 0.0 110.764 173.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.745 ' HB3' ' HB3' ' A' ' 34' ' ' SER . 1.1 t90 -99.32 151.41 21.09 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -175.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -105.38 9.47 33.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 122.207 1.003 . . . . 0.0 110.386 -178.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.526 HG21 ' HB3' ' A' ' 57' ' ' SER . 86.8 t -96.24 95.01 4.46 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.347 -178.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.2 p -93.02 8.89 38.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.915 -176.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.533 ' HB2' ' HB2' ' A' ' 52' ' ' GLN . 97.8 mttt -130.53 132.42 23.97 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.716 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 49' ' ' LYS . 43.1 Cg_exo -58.03 -33.37 97.18 Favored 'Trans proline' 0 CA--C 1.528 0.195 0 C-N-CA 122.931 2.421 . . . . 0.0 112.69 -179.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -96.36 10.71 37.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.551 0.691 . . . . 0.0 110.834 -177.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.533 ' HB2' ' HB2' ' A' ' 49' ' ' LYS . 8.8 tt0 -95.39 7.29 46.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.856 0.836 . . . . 0.0 109.295 176.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 69.0 mt -76.37 103.98 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.127 177.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -126.9 169.88 12.82 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.745 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.97 -41.09 64.24 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 122.706 0.403 . . . . 0.0 110.451 177.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -66.55 -41.06 89.22 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.571 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.526 ' HB3' HG21 ' A' ' 47' ' ' VAL . 13.8 m -65.75 -24.65 67.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.587 178.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 88.5 mt -103.25 16.95 25.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.856 -178.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -58.92 -39.31 81.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.897 0.38 . . . . 0.0 110.753 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -69.34 -27.91 65.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.59 176.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.5 t -70.42 -37.3 70.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.37 179.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -65.29 -40.84 94.37 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.193 0.521 . . . . 0.0 110.009 174.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -69.15 -41.38 77.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.459 -177.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -96.5 17.55 15.97 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.152 -178.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.81 -16.05 62.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.026 -177.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -65.25 -31.6 72.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.898 0.38 . . . . 0.0 110.765 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.467 ' O ' ' HG2' ' A' ' 39' ' ' PRO . . . -96.55 -4.43 41.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.804 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 68.0 mt -107.62 111.12 34.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.118 0.485 . . . . 0.0 111.204 -175.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -99.03 -62.3 1.25 Allowed 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 171.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 58.5 m -104.73 116.17 31.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.828 178.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.0 tp -105.16 106.58 17.14 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.075 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 50.3 mt -94.54 117.61 38.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.579 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.506 HG22 ' HB3' ' A' ' 122' ' ' ALA . 59.4 t -107.34 129.29 61.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.797 -178.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -107.59 111.13 3.35 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 175.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.615 HG21 ' HB3' ' A' ' 80' ' ' TRP . 23.1 p -72.08 -35.93 69.38 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.971 0.415 . . . . 0.0 111.966 -175.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 149.26 -127.64 2.53 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.808 -0.71 . . . . 0.0 111.515 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.544 ' HB2' HG13 ' A' ' 126' ' ' VAL . . . -88.05 -47.6 8.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.397 0.618 . . . . 0.0 109.639 177.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -82.18 160.43 23.06 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.471 177.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 14.3 p -104.72 113.2 41.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.667 0.746 . . . . 0.0 110.316 -177.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.615 ' HB3' HG21 ' A' ' 75' ' ' THR . 64.8 t90 -99.05 124.62 44.18 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.143 -178.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.2 mp -87.23 119.38 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.08 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.413 ' HA ' ' HD3' ' A' ' 83' ' ' PRO . . . -89.26 143.65 31.26 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.716 -178.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 82' ' ' ALA . 33.2 Cg_exo -61.97 131.5 35.24 Favored 'Trans proline' 0 C--O 1.24 0.586 0 C-N-CA 122.722 2.281 . . . . 0.0 111.944 177.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -58.41 -24.71 60.81 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.783 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -61.57 -34.29 75.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.937 0.398 . . . . 0.0 110.558 178.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.1 tp -73.54 -42.58 61.51 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 176.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.811 ' HG2' ' HB3' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -62.54 -38.53 90.38 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.031 176.74 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -68.93 -28.91 67.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.426 -177.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.87 -42.45 97.53 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 172.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.614 ' HB3' ' HB ' ' A' ' 95' ' ' VAL . 95.9 mt -72.29 -24.3 61.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.509 175.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.547 ' HD3' ' O ' ' A' ' 91' ' ' ARG . 0.1 OUTLIER -64.9 -30.75 71.77 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 177.172 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -56.67 -38.47 82.3 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.274 176.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.561 HG23 HG23 ' A' ' 95' ' ' VAL . 6.9 m -100.13 15.95 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.085 0.469 . . . . 0.0 110.723 177.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 64.01 29.64 14.26 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.199 -0.91 . . . . 0.0 112.599 173.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.614 ' HB ' ' HB3' ' A' ' 90' ' ' LEU . 74.9 t -86.24 118.61 32.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.065 0.459 . . . . 0.0 110.117 175.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 41.7 t -79.2 100.87 4.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 176.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.811 ' HB3' ' HG2' ' A' ' 87' ' ' ARG . 57.9 tp -89.62 121.93 32.27 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.5 -176.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -126.75 115.88 20.08 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.923 0.392 . . . . 0.0 110.028 177.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.5 m -97.8 123.06 41.59 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.766 -177.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 73.0 mtm -140.19 -175.75 4.36 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.079 177.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -86.16 162.48 18.34 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 175.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.1 p -54.54 -46.73 73.67 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -171.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -53.66 -67.07 2.33 Favored Glycine 0 CA--C 1.523 0.532 0 C-N-CA 121.34 -0.457 . . . . 0.0 113.277 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.55 -32.5 74.5 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.014 2.476 . . . . 0.0 113.089 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.18 -51.15 68.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.041 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 73.2 mt -62.39 -44.0 98.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -57.51 -52.36 65.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.453 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 15.9 m -65.5 -38.25 89.15 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.169 -177.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -63.62 -45.61 89.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.714 178.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -57.06 -44.92 83.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.542 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.407 ' O ' ' HG2' ' A' ' 115' ' ' GLU . 72.5 mt -66.35 -47.78 83.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.01 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 90.6 mmm -66.77 -38.3 86.28 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -174.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 11.2 tp -69.52 -26.45 31.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-O 121.064 0.459 . . . . 0.0 110.406 -178.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.82 -46.99 8.08 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.959 177.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 111' ' ' ILE . 15.0 mm-40 -61.72 -57.59 11.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.613 0.244 . . . . 0.0 111.027 -179.393 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 76.6 mtt180 -132.83 -104.02 0.25 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.862 0.363 . . . . 0.0 110.521 178.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 176.79 -155.55 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 -175.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 19.4 mmt85 62.6 22.09 13.09 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.448 0.642 . . . . 0.0 111.338 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.453 ' O ' ' HG3' ' A' ' 39' ' ' PRO . 7.1 p -116.37 131.02 70.15 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.606 178.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -122.96 145.11 48.77 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.396 -178.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.44 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -119.17 111.93 18.87 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.01 0.433 . . . . 0.0 111.047 -179.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.506 ' HB3' HG22 ' A' ' 73' ' ' VAL . . . -94.18 99.0 11.35 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 173.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 98.3 mt -108.89 115.93 31.03 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.062 0.458 . . . . 0.0 111.814 -170.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 67.3 mt -98.85 126.19 52.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 170.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.721 ' HB1' ' HA2' ' A' ' 23' ' ' GLY . . . -65.83 148.45 51.76 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.662 -174.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.629 HG12 ' H ' ' A' ' 128' ' ' LEU . 94.0 t -64.83 113.13 9.77 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.691 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -85.28 25.85 0.68 Allowed 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.875 2.383 . . . . 0.0 111.789 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.629 ' H ' HG12 ' A' ' 126' ' ' VAL . 91.1 mt 64.38 -172.23 0.18 Allowed 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.271 -175.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' ' 129' ' ' GLU . 0.1 OUTLIER -99.46 -1.22 39.09 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.486 0.66 . . . . 0.0 109.428 176.351 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 47.0 p-80 -144.09 163.73 32.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.642 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -68.0 -173.38 0.37 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.811 0.339 . . . . 0.0 111.837 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 40.3 p-80 -74.65 27.39 0.08 Allowed 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -171.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 64.8 t-80 -100.47 113.85 26.96 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 176.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 36.4 p-80 -73.54 166.27 23.56 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.829 0.347 . . . . 0.0 110.938 -176.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 70.2 t60 . . . . . 0 C--O 1.246 0.881 0 CA-C-O 118.623 -0.703 . . . . 0.0 109.956 177.444 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 ttt . . . . . 0 N--CA 1.481 1.125 0 CA-C-O 120.912 0.387 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -130.82 135.01 47.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.023 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -135.56 159.76 40.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.387 -176.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 26.1 tpt180 -69.98 -25.79 63.79 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 173.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m 65.36 30.6 10.95 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.495 174.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -80.99 66.14 6.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.728 0.775 . . . . 0.0 110.638 177.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.8 pt -83.59 158.2 63.25 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.172 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -50.22 113.99 1.24 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.743 2.296 . . . . 0.0 111.576 176.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -84.18 152.86 24.0 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.191 0.519 . . . . 0.0 110.822 -174.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.444 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 41.2 m-85 -107.63 119.51 50.27 Favored Pre-proline 0 C--N 1.318 -0.789 0 CA-C-N 115.476 -0.783 . . . . 0.0 109.017 178.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 10' ' ' PHE . 7.4 Cg_exo -72.69 77.42 2.23 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 123.081 2.521 . . . . 0.0 112.697 -176.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 56.68 76.32 0.31 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.265 177.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.1 t -96.7 133.35 41.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.571 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -107.77 -14.4 14.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.534 0.683 . . . . 0.0 110.183 177.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.57 102.74 15.39 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.067 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.5 mt -107.58 125.67 63.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.108 175.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -85.59 -58.3 2.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.709 0.29 . . . . 0.0 111.502 -173.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.89 144.96 39.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.89 0.376 . . . . 0.0 111.019 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -149.15 156.04 41.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.357 177.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.67 -56.15 4.68 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.027 -0.606 . . . . 0.0 113.24 175.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -51.94 -65.43 0.56 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.011 0.434 . . . . 0.0 111.421 -176.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -121.51 39.71 2.29 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 177.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.653 ' HA2' ' OE1' ' A' ' 32' ' ' GLN . . . 91.23 -168.5 32.39 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -175.104 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.403 ' O ' ' HA ' ' A' ' 30' ' ' SER . 92.1 m-85 -83.15 110.77 18.32 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 174.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.591 ' HA ' ' O ' ' A' ' 29' ' ' MET . 55.0 t80 -111.95 98.78 7.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.193 0.521 . . . . 0.0 110.366 -178.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -142.53 137.28 30.06 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.162 173.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 66.98 13.54 9.51 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.727 0.642 . . . . 0.0 111.215 -177.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.24 -9.53 61.21 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.939 -0.648 . . . . 0.0 113.573 176.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.591 ' O ' ' HA ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -88.06 165.03 15.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.153 0.476 . . . . 0.0 110.649 -178.55 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.501 ' OG ' ' HD2' ' A' ' 25' ' ' TYR . 67.8 m -151.53 138.86 19.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.503 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -173.97 137.7 0.58 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.488 176.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.653 ' OE1' ' HA2' ' A' ' 23' ' ' GLY . 10.1 mm100 -94.31 107.01 18.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.056 0.455 . . . . 0.0 109.826 173.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.11 -164.72 31.29 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 -178.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.671 ' HB2' ' O ' ' A' ' 45' ' ' TRP . 5.3 m -111.22 131.96 54.71 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 117.172 0.486 . . . . 0.0 110.579 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 96.0 mt -122.03 146.51 47.1 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.602 -177.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.7 111.76 22.35 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -92.17 101.54 14.05 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.126 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.435 ' C ' ' H ' ' A' ' 40' ' ' ASP . 94.5 mt -89.9 159.44 42.98 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.871 178.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -68.45 16.88 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.109 2.539 . . . . 0.0 113.058 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.435 ' H ' ' C ' ' A' ' 38' ' ' LEU . 23.9 m-20 -135.54 -53.27 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.66 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -150.28 159.58 44.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.651 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.1 t -89.96 132.02 35.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.264 177.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 79.1 m95 -124.81 159.21 31.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.599 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.63 130.82 10.18 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.807 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.671 ' O ' ' HB2' ' A' ' 34' ' ' SER . 27.0 t90 -136.49 76.91 1.62 Allowed 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 -178.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -74.43 97.65 3.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.204 -169.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 57.3 t -128.23 96.03 3.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.277 -0.874 . . . . 0.0 108.689 173.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.3 m -59.44 -46.97 87.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.091 -174.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.43 ' HE2' ' HB3' ' A' ' 49' ' ' LYS . 17.8 mtpt -117.18 127.1 26.93 Favored Pre-proline 0 C--N 1.325 -0.489 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.528 178.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.76 -8.09 20.26 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 123.4 2.733 . . . . 0.0 113.601 -174.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -67.58 -22.96 65.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.093 0.473 . . . . 0.0 110.458 178.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -92.52 24.62 3.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.686 -177.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 71.1 mt -76.01 103.09 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 172.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -136.22 -165.61 1.74 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.666 -174.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 35.8 mtm180 -73.42 -29.11 62.36 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.531 0.197 . . . . 0.0 111.531 -177.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -71.69 -45.32 62.22 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 120.953 0.406 . . . . 0.0 110.555 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.2 p -70.82 -35.24 72.4 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.931 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 88.2 mt -85.45 8.57 18.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.264 178.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -54.53 -41.68 69.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.984 0.421 . . . . 0.0 110.456 177.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -67.19 -30.65 70.65 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.458 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.6 t -71.34 -45.89 67.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.445 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -67.64 -33.15 74.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.767 177.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -72.73 -47.78 44.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.146 -178.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -94.62 23.82 5.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.41 0.624 . . . . 0.0 110.248 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.3 -12.71 54.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.764 -177.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -68.27 -25.13 65.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.925 0.393 . . . . 0.0 110.306 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -114.26 0.18 14.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.052 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.1 mt -112.76 97.96 6.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.077 0.465 . . . . 0.0 110.744 -177.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.947 ' HB3' ' HB3' ' A' ' 118' ' ' ARG . 0.7 OUTLIER -102.36 -34.83 9.04 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.947 176.872 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.504 ' O ' ' HA ' ' A' ' 119' ' ' VAL . 10.1 m -121.0 128.74 52.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.492 177.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 57.7 tp -129.85 111.84 12.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.995 0.426 . . . . 0.0 110.92 -177.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 59.6 mt -104.8 114.35 44.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.613 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.0 t -101.42 115.54 43.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.554 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -100.2 100.3 2.16 Favored Glycine 0 N--CA 1.443 -0.883 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 176.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.52 ' HA ' HD12 ' A' ' 124' ' ' ILE . 68.2 p -80.3 43.83 0.66 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.299 0.571 . . . . 0.0 111.775 -172.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.31 -111.21 3.66 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 111.696 -0.562 . . . . 0.0 111.696 -178.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -119.75 -15.86 8.84 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.127 0.489 . . . . 0.0 110.234 176.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -94.41 90.61 6.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.427 -179.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.461 ' HA ' ' OG1' ' A' ' 75' ' ' THR . 7.3 p -67.57 124.98 24.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.362 0.601 . . . . 0.0 111.785 -173.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 43.8 t90 -110.8 117.85 34.54 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.003 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 66.9 mt -87.83 120.22 36.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.244 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.404 ' HA ' ' HD3' ' A' ' 83' ' ' PRO . . . -74.36 135.04 76.13 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.238 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 82' ' ' ALA . 33.4 Cg_exo -60.49 158.93 29.61 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.94 2.427 . . . . 0.0 111.994 177.267 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 38.1 mtm-85 -61.57 -35.14 76.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.323 -175.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -65.87 -39.02 90.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.78 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.1 tp -73.93 -39.69 63.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.148 0.499 . . . . 0.0 110.014 178.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -60.8 -42.55 97.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.608 177.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -69.4 -35.32 75.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.11 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.96 -51.43 69.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.138 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.719 HD12 HD22 ' A' ' 97' ' ' LEU . 70.0 mt -69.64 -33.01 72.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.695 177.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -61.25 -30.91 70.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.29 -31.22 79.8 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 121.189 -0.529 . . . . 0.0 112.216 178.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.473 ' HB ' HG23 ' A' ' 95' ' ' VAL . 5.2 t -89.2 5.03 4.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.527 0.679 . . . . 0.0 109.383 176.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.433 HD22 ' HA ' ' A' ' 94' ' ' ASN . 9.3 m120 71.71 13.4 6.23 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 114.823 -1.08 . . . . 0.0 111.623 -179.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.496 ' HB ' ' HB3' ' A' ' 90' ' ' LEU . 56.0 t -76.23 110.13 11.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.041 0.448 . . . . 0.0 109.821 177.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.6 t -77.5 96.53 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.993 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.719 HD22 HD12 ' A' ' 90' ' ' LEU . 48.1 tp -90.22 138.26 31.67 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.174 -179.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -139.12 142.48 38.07 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 172.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.8 p -106.17 109.37 21.29 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -175.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.459 ' O ' ' HA2' ' A' ' 74' ' ' GLY . 21.1 mmt -132.56 -177.51 4.51 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.26 0.552 . . . . 0.0 111.577 -174.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -103.5 161.81 13.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.465 -0.788 . . . . 0.0 108.968 172.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.501 ' O ' HG13 ' A' ' 106' ' ' ILE . 7.5 p -52.43 -62.41 1.66 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -171.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -46.88 -64.23 2.8 Favored Glycine 0 CA--C 1.523 0.579 0 O-C-N 123.476 0.485 . . . . 0.0 113.914 -177.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.4 -36.78 94.65 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.772 2.315 . . . . 0.0 112.936 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.2 -42.63 75.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.431 -177.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 102' ' ' THR . 79.1 mt -59.8 -49.77 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-O 120.917 0.389 . . . . 0.0 110.742 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -61.46 -43.57 98.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.714 -178.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 33.0 m -64.48 -42.35 95.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.651 178.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -59.22 -43.01 92.32 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.985 178.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.4 ' O ' HG22 ' A' ' 113' ' ' ILE . 96.5 m-20 -62.5 -33.94 75.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.283 -179.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 54.4 mt -72.94 -42.82 60.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.905 0.383 . . . . 0.0 110.837 175.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 57.1 mtt -72.27 -30.19 64.6 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -175.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.4 HD12 ' HA ' ' A' ' 113' ' ' ILE . 10.9 tp -67.43 -8.47 8.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 CA-C-O 121.231 0.539 . . . . 0.0 110.959 -178.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -121.26 25.11 7.13 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.998 -0.62 . . . . 0.0 111.886 175.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -148.77 -36.15 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.969 0.414 . . . . 0.0 111.162 -177.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -145.05 79.07 1.58 Allowed 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -74.32 60.98 0.86 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.496 -175.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.947 ' HB3' ' HB3' ' A' ' 69' ' ' ASP . 79.0 mtt180 -135.2 14.78 3.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.244 175.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.504 ' HA ' ' O ' ' A' ' 70' ' ' THR . 7.4 p -107.34 134.01 50.35 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-N 114.847 -1.069 . . . . 0.0 111.963 -169.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -118.38 147.66 43.31 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.267 173.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -120.44 123.63 43.46 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.981 0.419 . . . . 0.0 111.477 -175.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -108.0 115.33 29.94 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 176.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 90.1 mt -114.38 123.31 49.15 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.922 0.392 . . . . 0.0 111.31 -175.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.52 HD12 ' HA ' ' A' ' 75' ' ' THR . 62.0 mt -94.58 148.5 4.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.053 177.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -45.44 140.55 3.08 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.9 t -108.74 110.42 61.21 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.367 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -76.83 106.46 2.26 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.183 1.922 . . . . 0.0 111.377 174.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 60.2 tp -98.46 -65.0 0.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.629 -178.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.88 120.3 33.96 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.321 0.581 . . . . 0.0 109.839 -178.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -150.66 19.21 0.81 Allowed 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -101.07 -83.39 0.45 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.774 -175.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -136.15 107.25 6.74 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.311 -174.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -147.96 94.63 2.36 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.668 0.747 . . . . 0.0 111.586 -178.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -106.02 -36.08 7.06 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 169.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 22.6 t60 . . . . . 0 C--O 1.248 1.015 0 CA-C-N 114.358 -1.292 . . . . 0.0 108.167 175.075 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.87 84.02 4.95 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.175 0.512 . . . . 0.0 110.903 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -135.43 94.78 3.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.875 177.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.451 ' HD3' ' OE1' ' A' ' 6' ' ' GLU . 17.4 ptp180 -156.84 173.52 16.86 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.082 -179.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.0 m -149.81 42.76 0.88 Allowed 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.601 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.451 ' OE1' ' HD3' ' A' ' 4' ' ' ARG . 22.9 mt-10 -71.19 -69.85 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 173.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.8 pt -136.88 90.1 16.58 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.664 173.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -82.38 13.33 2.58 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.873 2.382 . . . . 0.0 113.15 -174.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -160.56 114.09 2.09 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.813 ' HB2' ' HB1' ' A' ' 41' ' ' ALA . 94.6 m-85 -65.18 136.62 96.64 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.966 -178.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 10' ' ' PHE . 4.3 Cg_exo -82.0 40.87 1.03 Allowed 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 123.661 2.908 . . . . 0.0 113.315 -175.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 68.48 104.74 0.05 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.358 0.599 . . . . 0.0 111.294 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.7 m -137.89 117.75 13.25 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.768 178.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -121.56 11.69 10.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.011 0.434 . . . . 0.0 110.73 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.18 115.66 28.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.347 -176.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.5 HD12 HG23 ' A' ' 106' ' ' ILE . 73.0 mt -107.75 126.86 64.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.633 178.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.472 ' H ' ' HA ' ' A' ' 26' ' ' PHE . 24.0 t70 -83.57 -55.68 4.15 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.511 -170.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -139.21 150.25 45.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.013 0.435 . . . . 0.0 111.28 -176.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -127.16 118.51 24.48 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.991 177.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 160.68 -105.56 0.27 Allowed Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.43 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -67.81 127.57 33.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.8 0.333 . . . . 0.0 110.724 -178.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.36 -5.49 80.78 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.904 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.19 -84.96 1.19 Allowed Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.65 -178.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -120.34 136.2 54.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.738 0.304 . . . . 0.0 110.75 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.427 ' CD1' ' HB2' ' A' ' 30' ' ' SER . 21.0 t80 -133.28 125.82 30.11 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 174.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.472 ' HA ' ' H ' ' A' ' 17' ' ' ASP . 41.7 p90 -139.2 177.39 7.94 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.789 -179.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.49 90.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.455 0.472 . . . . 0.0 110.26 177.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 150.59 -76.58 0.24 Allowed Glycine 0 N--CA 1.442 -0.915 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.942 -177.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -147.69 176.08 10.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.906 0.384 . . . . 0.0 111.656 -175.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.427 ' HB2' ' CD1' ' A' ' 25' ' ' TYR . 31.3 t -129.99 141.26 50.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.4 176.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 -167.72 154.11 7.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.617 0.246 . . . . 0.0 110.837 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.15 -163.18 0.8 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 175.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.71 -147.27 19.77 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.71 -0.757 . . . . 0.0 111.836 178.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.53 ' HB3' ' HE3' ' A' ' 45' ' ' TRP . 46.3 m -126.0 140.66 52.43 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.823 0.344 . . . . 0.0 110.229 178.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 97.7 mt -120.66 138.12 54.1 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.69 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.807 ' HG ' ' HB2' ' A' ' 45' ' ' TRP . 79.9 mt -99.83 96.43 7.58 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.88 178.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.429 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 84.4 m-85 -85.23 92.1 8.33 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.437 HD23 ' HB1' ' A' ' 120' ' ' ALA . 79.0 mt -102.34 156.82 34.78 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 115.239 -0.892 . . . . 0.0 109.678 -179.242 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -62.8 -11.89 26.31 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.516 2.144 . . . . 0.0 111.886 176.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -90.65 -57.56 2.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.061 177.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.813 ' HB1' ' HB2' ' A' ' 10' ' ' PHE . . . -161.82 172.9 15.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.015 -176.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.7 t -91.78 101.28 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.38 176.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -99.33 153.58 18.86 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.484 -177.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.36 126.55 8.29 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.034 -178.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.807 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 3.6 t90 -106.18 106.9 17.64 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -78.32 73.38 4.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.471 0.653 . . . . 0.0 110.892 -175.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 99.5 t -139.92 128.25 26.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.216 176.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.3 m -105.76 -7.26 18.46 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.125 0.488 . . . . 0.0 111.202 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -123.15 117.31 28.3 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.269 -176.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -62.75 -22.37 73.84 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.507 2.138 . . . . 0.0 111.685 175.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -70.83 -21.05 62.5 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.692 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -98.5 20.0 13.54 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.811 -173.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.436 HD11 HD11 ' A' ' 124' ' ' ILE . 70.7 mt -75.99 113.21 14.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 174.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -144.75 -173.28 4.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.502 -175.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 33.7 mtp-105 -65.37 -36.6 84.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.25 -177.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -69.73 -43.75 71.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.785 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.1 p -73.67 -28.57 61.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.345 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.419 HD12 HD11 ' A' ' 86' ' ' LEU . 84.7 mt -89.13 14.99 9.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.523 179.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -54.76 -37.05 65.5 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.101 0.477 . . . . 0.0 110.605 178.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.615 ' HE ' ' HA ' ' A' ' 60' ' ' ARG . 1.0 OUTLIER -63.76 -30.03 71.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.611 -179.284 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.2 t -74.38 -37.88 45.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.241 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -61.37 -36.92 81.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.535 176.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -55.13 -58.72 6.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.389 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.402 ' OD1' ' HB3' ' A' ' 67' ' ' ALA . 8.5 t-20 -96.13 18.23 14.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.126 -172.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.19 -22.47 61.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.971 0.415 . . . . 0.0 111.814 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -69.93 -15.74 63.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 178.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.402 ' HB3' ' OD1' ' A' ' 64' ' ' ASN . . . -118.77 4.61 11.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.668 178.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.2 mt -116.5 111.13 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.221 0.534 . . . . 0.0 110.517 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.911 ' HB2' ' HD3' ' A' ' 118' ' ' ARG . 12.2 t70 -95.62 -55.71 2.93 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.364 177.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.0 m -110.82 130.97 55.43 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.166 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.535 HD23 HD12 ' A' ' 97' ' ' LEU . 62.7 tp -119.36 114.37 22.24 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.883 0.373 . . . . 0.0 110.384 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 72.9 mt -95.81 121.97 46.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.006 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 96.2 t -106.42 121.89 59.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.719 0.295 . . . . 0.0 110.57 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -101.36 91.31 0.92 Allowed Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.827 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.431 HG21 ' H ' ' A' ' 80' ' ' TRP . 3.6 t -79.09 130.09 35.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.154 0.502 . . . . 0.0 110.775 -178.396 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -96.48 161.23 22.14 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.71 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.591 ' HB2' ' HD2' ' A' ' 127' ' ' PRO . . . 75.86 -43.51 0.48 Allowed 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.187 0.995 . . . . 0.0 111.322 178.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -163.26 -175.28 4.19 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 42.3 t -97.96 102.76 13.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.831 0.348 . . . . 0.0 110.58 -177.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.431 ' H ' HG21 ' A' ' 75' ' ' THR . 85.8 t90 -88.03 123.18 32.46 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 174.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.1 mp -96.14 121.24 46.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.075 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.407 ' HA ' ' HD3' ' A' ' 83' ' ' PRO . . . -64.74 127.24 92.33 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.583 177.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 82' ' ' ALA . 53.1 Cg_exo -55.66 154.86 23.83 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.187 2.591 . . . . 0.0 111.989 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.1 ptt85 -62.47 -38.9 91.64 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.03 -174.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -59.09 -46.12 89.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.777 0.322 . . . . 0.0 111.271 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.419 HD11 HD12 ' A' ' 58' ' ' LEU . 66.6 tp -63.8 -39.35 94.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.204 0.526 . . . . 0.0 110.11 178.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 87' ' ' ARG . 12.8 ttm180 -70.72 -44.15 67.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.994 -177.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -68.1 -30.83 70.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.052 -178.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.55 -48.79 71.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.057 0.456 . . . . 0.0 110.287 176.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.9 mt -67.44 -38.47 84.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.622 177.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.431 ' HD2' ' HA ' ' A' ' 91' ' ' ARG . 8.5 tpt180 -63.94 -26.3 68.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.639 179.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -63.92 -24.46 68.45 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.963 -0.637 . . . . 0.0 111.858 175.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.439 ' HB ' HG23 ' A' ' 95' ' ' VAL . 4.4 t -99.09 7.13 8.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.306 0.574 . . . . 0.0 109.541 176.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 68.73 20.24 8.22 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.56 -178.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.439 HG23 ' HB ' ' A' ' 93' ' ' VAL . 53.6 t -84.15 106.85 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 175.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.3 t -83.6 90.87 2.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.567 -177.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.535 HD12 HD23 ' A' ' 71' ' ' LEU . 9.9 tt -84.13 126.68 33.33 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.911 177.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -133.8 126.32 30.34 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 176.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.7 t -110.49 138.1 47.32 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.124 0.488 . . . . 0.0 111.551 -173.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.5 pmm? -154.53 177.9 10.68 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 176.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -61.63 148.86 41.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.571 0.225 . . . . 0.0 110.748 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -51.66 -40.11 59.42 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -175.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -57.66 -67.1 2.38 Favored Glycine 0 CA--C 1.523 0.552 0 C-N-CA 121.181 -0.533 . . . . 0.0 112.837 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.43 -30.69 64.92 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.799 2.332 . . . . 0.0 112.929 176.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.25 -48.28 80.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.697 0.284 . . . . 0.0 111.097 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.5 HG23 HD12 ' A' ' 16' ' ' ILE . 76.5 mt -61.23 -39.08 81.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-O 121.361 0.601 . . . . 0.0 110.175 177.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -60.81 -57.9 10.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.049 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 83.5 m -60.59 -36.83 79.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.395 -178.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -61.96 -43.24 99.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.815 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -61.01 -39.71 90.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.756 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 74.4 mt -65.17 -43.69 95.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.903 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.571 ' HA ' ' CE ' ' A' ' 112' ' ' MET . 10.4 mmt -66.76 -43.42 84.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.322 -179.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 37.3 mm -64.65 -33.24 61.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.11 0.481 . . . . 0.0 110.283 177.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -84.69 16.7 34.64 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.422 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -121.63 -61.06 1.55 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -140.42 -102.66 0.15 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.093 0.473 . . . . 0.0 111.322 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 176.73 -161.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -175.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.911 ' HD3' ' HB2' ' A' ' 69' ' ' ASP . 15.4 ttt-85 65.69 25.88 11.48 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.477 0.656 . . . . 0.0 109.807 178.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.426 HG11 ' HB3' ' A' ' 112' ' ' MET . 7.2 p -128.06 139.86 50.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.551 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.437 ' HB1' HD23 ' A' ' 38' ' ' LEU . . . -130.78 156.89 44.22 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.465 -178.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.429 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -129.04 121.32 27.65 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.05 0.453 . . . . 0.0 111.443 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -100.45 95.97 7.09 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 173.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 86.0 mt -103.18 130.62 50.42 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 -172.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.436 HD11 HD11 ' A' ' 53' ' ' ILE . 56.7 mt -113.56 133.98 57.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.195 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.03 154.86 40.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.223 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.536 HG12 ' H ' ' A' ' 77' ' ' ALA . 15.3 m -90.01 118.27 68.75 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.492 -177.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.591 ' HD2' ' HB2' ' A' ' 77' ' ' ALA . 32.5 Cg_exo -59.35 110.35 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.784 2.323 . . . . 0.0 111.374 172.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 92.9 mt -86.53 20.24 2.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.613 -175.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -123.79 -114.58 0.3 Allowed 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.666 -178.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 68.84 -51.74 0.58 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.736 0.814 . . . . 0.0 110.329 -173.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -139.95 94.95 2.82 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 172.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -109.69 170.36 8.11 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.508 -178.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 57.5 m170 -107.92 167.49 9.94 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 173.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -95.4 -66.78 0.89 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 174.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 . . . . . 0 C--O 1.249 1.063 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.017 176.866 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.5 mmt . . . . . 0 N--CA 1.482 1.163 0 CA-C-O 120.288 0.089 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.55 -98.09 0.07 Allowed 'General case' 0 N--CA 1.463 0.185 0 O-C-N 123.612 0.57 . . . . 0.0 111.258 -177.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.483 ' O ' ' HB3' ' A' ' 4' ' ' ARG . 75.6 mm-40 -135.67 21.68 3.34 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 177.102 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.483 ' HB3' ' O ' ' A' ' 3' ' ' GLN . 10.1 ttp180 70.56 159.16 0.19 Allowed 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.817 0.698 . . . . 0.0 109.565 -173.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 m 66.26 42.45 3.06 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.454 0.645 . . . . 0.0 109.773 -177.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -68.46 112.6 5.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.047 -178.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.454 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 18.4 pt -111.13 125.73 30.04 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.942 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 7' ' ' ILE . 48.1 Cg_endo -88.41 100.63 0.41 Allowed 'Trans proline' 0 N--CA 1.455 -0.775 0 C-N-CA 122.957 2.438 . . . . 0.0 112.865 -177.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -134.88 118.9 17.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.491 177.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.482 ' HZ ' ' HG3' ' A' ' 29' ' ' MET . 89.7 m-85 -110.4 119.51 46.58 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.577 178.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -79.34 70.56 7.45 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.582 2.188 . . . . 0.0 112.3 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? 62.76 96.86 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.863 -178.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.2 t -139.36 138.42 36.6 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.023 175.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -146.66 19.69 1.31 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.988 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.52 102.11 14.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.695 -177.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 70.6 mt -102.8 111.72 33.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.563 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -75.65 -44.56 41.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.649 -177.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -162.31 168.29 22.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.616 179.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -149.14 157.68 43.58 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 175.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 154.89 -115.54 0.67 Allowed Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.154 -1.022 . . . . 0.0 112.699 176.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.502 ' HA ' HD21 ' A' ' 128' ' ' LEU . 2.3 tmtp? -69.68 104.55 2.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.905 0.384 . . . . 0.0 110.162 -176.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.458 ' O ' ' HA ' ' A' ' 31' ' ' HIS . . . 110.7 -9.05 30.08 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.043 176.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.24 -144.27 18.0 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.301 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -95.81 149.23 21.75 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.189 0.519 . . . . 0.0 111.408 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -119.05 105.74 11.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.107 176.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -142.15 177.14 8.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.415 -177.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.05 127.23 31.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.984 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.45 -67.06 0.25 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.256 178.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.482 ' HG3' ' HZ ' ' A' ' 10' ' ' PHE . 64.1 mtt -124.65 163.18 22.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.199 0.523 . . . . 0.0 111.104 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.8 m -154.27 173.13 16.56 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 176.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.458 ' HA ' ' O ' ' A' ' 22' ' ' GLY . 40.6 t-80 68.05 26.0 7.39 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.634 0.73 . . . . 0.0 110.187 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.447 ' HB3' HD21 ' A' ' 35' ' ' LEU . 16.6 mm-40 -101.11 124.3 46.6 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.351 177.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.44 -57.68 2.3 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.75 -174.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.0 m -114.73 119.97 38.49 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.11 0.481 . . . . 0.0 110.303 -177.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.447 HD21 ' HB3' ' A' ' 32' ' ' GLN . 96.4 mt -129.15 145.71 51.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.114 0.483 . . . . 0.0 111.535 -175.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.762 ' HB2' ' HB2' ' A' ' 45' ' ' TRP . 1.6 tt -110.28 101.16 9.92 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 175.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -80.54 112.34 17.8 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.46 -178.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.531 HD12 ' CD1' ' A' ' 43' ' ' TRP . 65.8 mt -104.57 155.85 36.77 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 109.695 -0.484 . . . . 0.0 109.695 176.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -61.4 -11.54 20.08 Favored 'Trans proline' 0 CA--C 1.532 0.382 0 C-N-CA 122.946 2.43 . . . . 0.0 113.581 -177.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -103.32 -39.21 6.9 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.766 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -164.12 168.44 19.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.042 0.448 . . . . 0.0 111.023 -176.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.5 t -93.79 122.34 45.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.657 177.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.531 ' CD1' HD12 ' A' ' 38' ' ' LEU . 62.2 m95 -109.78 150.99 27.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.887 0.375 . . . . 0.0 110.655 -178.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.01 125.42 6.86 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.446 178.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.762 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 23.2 t90 -127.1 85.85 2.42 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -177.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -76.82 80.22 3.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.358 0.599 . . . . 0.0 111.636 -170.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.5 t -131.37 107.52 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.01 173.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.7 m -81.55 -31.39 32.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.03 -173.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 50' ' ' PRO . 47.9 mttm -100.9 124.32 42.3 Favored Pre-proline 0 C--N 1.326 -0.437 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -178.033 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 49' ' ' LYS . 34.4 Cg_endo -66.78 -19.22 53.3 Favored 'Trans proline' 0 CA--C 1.527 0.157 0 C-N-CA 122.293 1.996 . . . . 0.0 110.864 171.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -79.39 -12.37 59.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.102 -0.953 . . . . 0.0 110.081 178.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 52' ' ' GLN . 33.6 tt0 -97.85 16.22 21.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.761 -171.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 65.0 mt -83.13 114.77 24.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.135 0.493 . . . . 0.0 111.084 -177.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.414 ' CG ' ' H ' ' A' ' 55' ' ' ARG . 21.2 t70 -146.51 -169.63 3.32 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 55' ' ' ARG . 7.4 mmm180 -56.06 -38.35 70.51 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.959 0.409 . . . . 0.0 110.844 177.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -58.4 -38.41 77.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.946 178.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.18 -36.82 22.56 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.099 -177.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.516 HD13 HD21 ' A' ' 90' ' ' LEU . 87.7 mt -97.46 15.36 23.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.528 -175.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -60.06 -42.13 93.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.155 0.502 . . . . 0.0 110.009 -179.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -68.01 -28.91 67.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.726 177.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.446 HG21 HD22 ' A' ' 58' ' ' LEU . 84.1 t -68.59 -49.69 62.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.634 -178.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -63.93 -36.11 82.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.093 0.473 . . . . 0.0 110.535 177.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.66 -33.41 75.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.624 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -108.55 13.05 25.6 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.356 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.86 -14.74 62.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.141 0.496 . . . . 0.0 111.11 -178.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -67.71 -15.73 63.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.99 177.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -117.56 13.31 14.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.121 0.486 . . . . 0.0 110.512 178.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.6 mt -121.0 143.14 34.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.035 -175.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.403 ' N ' ' HG2' ' A' ' 118' ' ' ARG . 13.1 t70 -123.75 -53.36 1.77 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.284 171.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.488 ' HA ' ' HB ' ' A' ' 96' ' ' VAL . 27.8 m -108.78 126.39 52.98 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.076 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.472 HD22 ' HB3' ' A' ' 120' ' ' ALA . 0.8 OUTLIER -110.24 112.55 24.59 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.534 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.489 ' HA ' ' O ' ' A' ' 98' ' ' ASP . 64.2 mt -100.04 128.57 51.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.157 -179.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.435 ' HB ' HG23 ' A' ' 99' ' ' THR . 39.0 t -116.81 120.06 63.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.514 -179.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -100.42 93.59 1.22 Allowed Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 176.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.604 HG21 ' HB3' ' A' ' 80' ' ' TRP . 22.4 p -82.89 55.26 3.0 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.14 0.495 . . . . 0.0 112.062 -173.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 77.47 -140.54 24.55 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.324 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.64 7.6 45.18 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.187 0.518 . . . . 0.0 110.701 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -127.4 163.38 24.16 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.885 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.659 HG13 ' HA ' ' A' ' 100' ' ' MET . 41.4 t -103.59 98.95 7.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.011 0.434 . . . . 0.0 109.861 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.604 ' HB3' HG21 ' A' ' 75' ' ' THR . 66.7 t90 -86.7 124.61 33.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.622 -176.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 68.7 mt -89.01 111.63 23.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.568 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.63 133.1 91.47 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.304 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -63.22 156.32 56.22 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.04 2.493 . . . . 0.0 112.094 178.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -52.46 -38.22 58.81 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.659 -178.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -51.47 -58.68 5.6 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.145 0.498 . . . . 0.0 111.151 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.468 HD11 HD12 ' A' ' 58' ' ' LEU . 37.6 tp -71.23 -40.9 70.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.804 -178.026 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -61.04 -44.87 96.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.31 -177.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -66.39 -39.33 88.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.47 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.58 -45.11 92.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.879 178.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.516 HD21 HD13 ' A' ' 58' ' ' LEU . 87.4 mt -70.11 -49.33 51.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.604 -179.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -74.3 -10.72 59.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.876 0.37 . . . . 0.0 111.0 -174.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.15 -26.11 70.14 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.044 -0.598 . . . . 0.0 111.84 174.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.687 ' HB ' HG23 ' A' ' 95' ' ' VAL . 6.3 t -97.87 7.64 8.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-O 121.507 0.67 . . . . 0.0 109.388 176.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.1 t30 66.62 23.92 10.22 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.359 -178.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.687 HG23 ' HB ' ' A' ' 93' ' ' VAL . 60.7 t -73.5 119.81 21.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.678 176.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.488 ' HB ' ' HA ' ' A' ' 70' ' ' THR . 46.3 t -71.75 110.31 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.577 -178.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 61.3 tp -91.63 114.48 27.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.559 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.489 ' O ' ' HA ' ' A' ' 72' ' ' ILE . 17.4 t70 -119.96 101.45 7.87 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.435 HG23 ' HB ' ' A' ' 73' ' ' VAL . 17.7 m -113.27 136.44 52.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.099 -176.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.659 ' HA ' HG13 ' A' ' 79' ' ' VAL . 22.7 ptp -166.63 -172.34 2.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.701 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -69.94 147.47 50.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.053 176.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.514 ' O ' HG13 ' A' ' 106' ' ' ILE . 81.6 m -53.45 -44.26 68.74 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.343 0.498 . . . . 0.0 112.343 -177.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -52.72 -66.61 2.56 Favored Glycine 0 CA--C 1.525 0.707 0 C-N-CA 121.156 -0.545 . . . . 0.0 113.038 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.6 -33.88 88.35 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.641 2.227 . . . . 0.0 112.521 175.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.05 -41.78 99.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.923 179.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.514 HG13 ' O ' ' A' ' 102' ' ' THR . 78.6 mt -59.23 -49.42 83.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.532 177.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 107' ' ' ARG . 67.1 mtt-85 -59.3 -48.03 83.15 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.817 0.341 . . . . 0.0 110.621 178.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 36.8 m -61.92 -49.44 76.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.32 -178.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -61.44 -44.9 96.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.673 -0.239 . . . . 0.0 110.98 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -56.25 -40.97 75.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.148 -178.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 69.1 mt -75.81 -44.41 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.639 178.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 76.8 mmm -60.21 -47.3 86.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.818 -178.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' A' ' 117' ' ' ARG . 11.4 tp -71.79 -22.95 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.995 0.426 . . . . 0.0 110.601 -177.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.08 -33.07 41.92 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.36 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -101.87 -68.86 0.8 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -177.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -85.75 -36.33 20.22 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -171.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.529 ' HA ' HD12 ' A' ' 113' ' ' ILE . 98.7 mtt180 66.11 -164.03 0.24 Allowed 'General case' 0 N--CA 1.463 0.203 0 O-C-N 123.611 0.569 . . . . 0.0 110.237 -175.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.403 ' HG2' ' N ' ' A' ' 69' ' ' ASP . 58.5 ttt180 56.95 32.4 21.5 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 122.386 1.089 . . . . 0.0 110.162 -178.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.01 133.71 68.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 114.836 -1.074 . . . . 0.0 109.544 178.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.472 ' HB3' HD22 ' A' ' 71' ' ' LEU . . . -116.95 136.72 52.73 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.944 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -119.47 114.74 22.75 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.083 0.468 . . . . 0.0 111.625 -176.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -95.71 99.21 11.08 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 174.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 85.8 mt -108.6 130.95 55.31 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.941 -174.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 63.0 mt -116.58 119.56 62.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.11 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -79.27 172.81 13.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.84 0.353 . . . . 0.0 110.983 178.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.404 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . 28.1 m -64.63 142.71 98.54 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.439 -178.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 126' ' ' VAL . 14.4 Cg_exo -70.0 -12.51 32.58 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 123.258 2.639 . . . . 0.0 112.938 -177.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.502 HD21 ' HA ' ' A' ' 21' ' ' LYS . 91.6 mt 73.63 -48.76 0.68 Allowed 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.745 0.818 . . . . 0.0 112.168 178.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -65.99 154.49 39.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.179 0.514 . . . . 0.0 111.136 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -158.95 -179.87 8.44 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.202 -172.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -63.25 133.21 53.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.984 0.421 . . . . 0.0 110.76 178.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -143.87 -30.59 0.48 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.734 -176.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -86.5 113.04 22.1 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.179 0.514 . . . . 0.0 111.133 -176.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -116.58 -35.58 4.19 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 168.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 86.4 t60 . . . . . 0 C--O 1.25 1.087 0 CA-C-N 114.812 -1.086 . . . . 0.0 108.681 176.417 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 mmt . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.97 -66.4 0.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.797 -175.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -121.01 115.29 22.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.336 -175.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -70.4 92.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.489 0.661 . . . . 0.0 111.26 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -112.29 82.2 1.6 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.018 173.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -97.31 -16.33 20.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.799 -173.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.91 ' HB ' ' HD3' ' A' ' 8' ' ' PRO . 50.6 mm -55.18 -60.75 7.36 Favored Pre-proline 0 CA--C 1.536 0.414 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.005 -179.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.91 ' HD3' ' HB ' ' A' ' 7' ' ' ILE . 44.0 Cg_endo -95.64 95.27 0.1 OUTLIER 'Trans proline' 0 N--CA 1.445 -1.334 0 C-N-CA 122.478 2.119 . . . . 0.0 112.349 177.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 61.8 m-70 -64.2 -40.53 96.28 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 174.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.461 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 91.9 m-85 -126.53 126.34 24.56 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 167.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 10' ' ' PHE . 11.5 Cg_exo -71.22 56.83 2.1 Favored 'Trans proline' 0 N--CA 1.474 0.379 0 C-N-CA 123.712 2.942 . . . . 0.0 114.06 -171.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 71.6 mtt180 49.08 65.93 1.24 Allowed 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 123.092 0.557 . . . . 0.0 112.036 176.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.555 HG21 ' HB2' ' A' ' 26' ' ' PHE . 23.5 m -90.19 103.36 16.05 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.336 -179.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -106.94 10.67 30.43 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.09 178.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -120.73 104.94 10.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.543 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 72.0 mt -99.94 133.95 41.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 176.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.28 -36.33 10.93 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.746 0.308 . . . . 0.0 111.648 -176.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.435 ' HB3' ' HB3' ' A' ' 25' ' ' TYR . . . -142.16 123.61 14.88 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -177.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.7 p90 -105.88 120.2 41.14 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 169.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.22 -150.76 19.79 Favored Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 109.963 -1.255 . . . . 0.0 109.963 -171.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt 68.96 -61.92 0.41 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 122.831 0.452 . . . . 0.0 111.321 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -142.62 8.91 2.33 Favored Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 174.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.486 ' HA3' ' HA ' ' A' ' 32' ' ' GLN . . . 131.13 -107.62 0.76 Allowed Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.349 -0.701 . . . . 0.0 111.349 -177.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -128.18 126.87 41.88 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 173.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.435 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 29.0 t80 -111.7 103.43 11.72 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.252 0.548 . . . . 0.0 109.858 174.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.555 ' HB2' HG21 ' A' ' 13' ' ' THR . 33.6 p90 -120.24 177.17 5.12 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 176.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.68 102.32 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.056 0.455 . . . . 0.0 110.981 177.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.2 -103.08 0.3 Allowed Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.402 -174.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 48.8 ttm -147.77 157.73 43.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.938 0.369 . . . . 0.0 110.311 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.45 126.58 29.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.067 0.461 . . . . 0.0 111.197 177.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 63.0 t-80 -140.91 112.42 7.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.172 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.486 ' HA ' ' HA3' ' A' ' 23' ' ' GLY . 4.0 pt20 -70.7 166.68 20.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.611 0.243 . . . . 0.0 110.615 177.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 116.41 -127.56 7.55 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.77 -0.728 . . . . 0.0 111.807 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.453 ' OG ' ' HB3' ' A' ' 45' ' ' TRP . 13.8 p -147.99 155.49 41.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.745 0.307 . . . . 0.0 110.523 178.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 96.3 mt -135.06 151.66 50.96 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.823 -178.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.1 mt -111.48 102.08 10.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.124 178.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 109' ' ' TYR . 93.5 m-85 -91.85 96.48 10.42 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.118 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.57 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 56.3 mt -84.74 162.49 50.05 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -179.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.57 ' HD2' ' HB3' ' A' ' 38' ' ' LEU . 30.0 Cg_endo -64.89 -11.21 28.39 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.367 2.044 . . . . 0.0 113.168 -178.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.504 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 35.0 t70 -113.35 -54.6 2.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.492 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -138.3 167.27 22.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.782 0.325 . . . . 0.0 110.92 -177.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.457 ' HB ' ' HB2' ' A' ' 10' ' ' PHE . 50.3 t -102.0 142.11 17.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.262 -179.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -131.81 164.71 25.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.191 177.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.49 146.9 18.35 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.479 176.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.453 ' HB3' ' OG ' ' A' ' 34' ' ' SER . 2.1 t90 -111.77 153.42 26.55 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -106.48 19.87 19.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.292 0.567 . . . . 0.0 111.047 -173.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.532 HG13 ' HB2' ' A' ' 52' ' ' GLN . 56.0 t -99.64 135.6 34.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.456 -176.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.9 m -113.51 -43.74 3.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.093 0.473 . . . . 0.0 110.506 177.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.421 ' HB2' ' HG3' ' A' ' 52' ' ' GLN . 44.3 mtpt -99.96 142.51 24.76 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.665 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -57.08 -29.73 84.19 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.694 2.263 . . . . 0.0 112.111 175.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -64.46 -24.63 67.69 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.154 176.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.532 ' HB2' HG13 ' A' ' 47' ' ' VAL . 98.5 mt-30 -81.83 4.25 22.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.621 -174.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 71.7 mt -73.38 95.58 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 173.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.495 ' H ' ' HB2' ' A' ' 57' ' ' SER . 15.9 t70 -123.08 163.98 19.49 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.649 -174.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -58.37 -34.54 70.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.37 . . . . 0.0 110.934 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -86.61 -14.65 42.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.222 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.495 ' HB2' ' H ' ' A' ' 54' ' ' ASP . 17.4 m -79.26 -28.58 42.39 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 170.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.5 mt -92.23 24.38 3.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.946 175.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -54.85 -47.77 73.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.716 -175.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' A' ' 60' ' ' ARG . 43.1 ttm180 -71.36 -20.99 62.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.107 0.48 . . . . 0.0 110.442 -178.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 99.9 t -73.15 -38.8 55.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.806 176.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -75.16 -22.18 58.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.757 176.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.47 -49.17 72.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.317 0.579 . . . . 0.0 109.709 174.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.497 ' HB3' ' HB3' ' A' ' 67' ' ' ALA . 19.8 m120 -100.93 40.59 1.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.9 175.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.03 -60.72 2.27 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -171.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -86.67 1.97 50.13 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.177 0.513 . . . . 0.0 110.946 -173.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.497 ' HB3' ' HB3' ' A' ' 64' ' ' ASN . . . -85.5 -23.93 27.55 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 171.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.456 HD11 HD22 ' A' ' 38' ' ' LEU . 69.0 mt -102.21 85.97 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.022 173.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.423 ' HB3' ' HG2' ' A' ' 118' ' ' ARG . 12.9 t70 -74.66 -42.43 58.51 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.207 0.527 . . . . 0.0 110.203 -176.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 77.4 m -114.98 127.26 55.57 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.915 174.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.6 tp -117.22 111.12 18.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.015 0.436 . . . . 0.0 110.224 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 59.4 mt -98.08 124.58 51.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.718 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 66.9 t -111.67 126.46 69.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.62 0.248 . . . . 0.0 110.822 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -103.47 103.22 2.31 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 175.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.2 p -68.87 -41.75 77.94 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -172.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.465 ' HA2' HG22 ' A' ' 126' ' ' VAL . . . 91.92 115.02 2.06 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.585 -0.817 . . . . 0.0 113.303 177.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 79.21 -47.22 0.39 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.108 0.963 . . . . 0.0 111.643 173.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -138.72 156.95 46.96 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.788 -178.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.0 t -90.31 99.06 8.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.938 0.399 . . . . 0.0 110.719 -178.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -76.0 130.9 39.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.9 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 6.7 tp -88.43 125.53 41.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.149 0.5 . . . . 0.0 110.734 -177.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.441 ' HA ' ' HD3' ' A' ' 83' ' ' PRO . . . -79.77 129.35 71.26 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.453 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 82' ' ' ALA . 51.4 Cg_exo -55.82 148.05 58.31 Favored 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 123.003 2.468 . . . . 0.0 112.508 179.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 84' ' ' ARG . 42.8 mtm180 -60.79 -37.64 82.59 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.904 -176.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.5 ' HA ' ' OE1' ' A' ' 85' ' ' GLN . 11.8 mm-40 -66.41 -32.47 73.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.772 0.32 . . . . 0.0 111.143 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.0 tp -69.13 -43.97 73.31 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 87' ' ' ARG . 41.8 ttm180 -66.31 -42.26 88.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.538 177.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -56.11 -45.21 79.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.207 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.481 ' O ' HG23 ' A' ' 93' ' ' VAL . . . -67.7 -46.67 71.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.278 -179.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.475 HD12 HD22 ' A' ' 97' ' ' LEU . 84.8 mt -62.53 -40.28 96.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.139 -179.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 91' ' ' ARG . 33.4 ttp180 -69.63 -27.24 64.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.02 0.438 . . . . 0.0 109.921 178.089 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -69.56 -30.51 70.95 Favored Glycine 0 C--N 1.331 0.274 0 N-CA-C 111.605 -0.598 . . . . 0.0 111.605 175.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 89' ' ' ALA . 21.2 t -82.34 -6.45 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 174.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 64.2 t30 69.86 33.89 2.73 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.572 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 70.1 t -98.51 120.93 48.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.808 175.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 49.6 t -77.15 100.87 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.866 0.365 . . . . 0.0 110.247 -179.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.475 HD22 HD12 ' A' ' 90' ' ' LEU . 45.9 tp -86.54 134.73 33.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.451 179.092 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -139.13 116.56 11.26 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 174.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.4 p -100.6 120.31 39.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.408 -177.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 72.8 mtm -140.33 -173.18 3.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.272 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -79.74 160.61 26.16 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.772 173.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.532 ' O ' HG13 ' A' ' 106' ' ' ILE . 3.2 m -59.71 -43.16 94.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.15 -173.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.69 -64.19 4.63 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 121.455 -0.403 . . . . 0.0 113.575 -177.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.39 -31.82 86.63 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.668 2.246 . . . . 0.0 112.714 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.42 -47.06 77.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.119 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 102' ' ' THR . 78.4 mt -58.12 -47.04 88.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 121.014 0.435 . . . . 0.0 110.79 179.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.418 ' O ' HG13 ' A' ' 111' ' ' ILE . 66.4 ttt180 -63.28 -47.23 83.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.926 -176.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 26.9 m -63.61 -38.13 89.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -178.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 37' ' ' PHE . 72.3 t80 -58.53 -51.63 69.05 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.652 177.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -60.54 -41.97 95.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.193 -178.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 107' ' ' ARG . 81.9 mt -60.97 -44.83 98.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.13 -179.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 22.6 mmt -71.64 -40.44 69.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.406 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.451 HD13 ' HA ' ' A' ' 117' ' ' ARG . 28.5 mm -62.67 -31.42 52.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-O 120.98 0.419 . . . . 0.0 110.927 178.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -81.79 7.08 63.45 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.544 178.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -131.41 -81.07 0.52 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 117.055 0.428 . . . . 0.0 110.894 -178.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -107.22 -17.93 14.02 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -174.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.451 ' HA ' HD13 ' A' ' 113' ' ' ILE . 44.0 mtp85 60.14 -136.79 0.69 Allowed 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -173.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.423 ' HG2' ' HB3' ' A' ' 69' ' ' ASP . 73.3 ttt180 64.31 22.16 12.71 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 122.271 1.034 . . . . 0.0 110.591 174.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 9.7 p -137.31 144.79 30.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.869 -176.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.438 ' HB2' ' HD3' ' A' ' 39' ' ' PRO . . . -128.52 152.42 48.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.427 177.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -124.35 121.43 34.95 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.003 0.43 . . . . 0.0 111.246 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -99.72 102.46 13.93 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 174.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 85.1 mt -110.24 124.36 51.47 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.695 -171.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 55.0 mt -100.57 141.84 16.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.338 173.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.61 130.32 42.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.891 0.377 . . . . 0.0 111.269 -178.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.465 HG22 ' HA2' ' A' ' 76' ' ' GLY . 46.7 t -68.45 121.9 82.45 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.282 177.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 126' ' ' VAL . 9.4 Cg_endo -54.62 136.82 72.08 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.702 2.268 . . . . 0.0 111.603 176.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 7.2 mp -66.28 104.65 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.014 -176.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 68.3 -80.09 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.794 0.684 . . . . 0.0 111.285 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -146.8 -175.63 4.88 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -177.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 64.1 m170 -66.62 166.28 13.16 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 172.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -110.22 92.28 3.98 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -174.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -107.64 2.46 23.91 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 167.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -112.23 128.25 56.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.623 -1.172 . . . . 0.0 110.129 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 . . . . . 0 C--O 1.245 0.829 0 CA-C-O 118.513 -0.756 . . . . 0.0 110.008 174.674 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.9 ttm . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 120.845 0.355 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.34 97.98 8.6 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.008 0.432 . . . . 0.0 111.093 -177.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -122.87 -163.63 1.12 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.428 176.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 -79.97 127.15 31.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.979 0.419 . . . . 0.0 110.634 -177.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -151.36 143.85 24.23 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 173.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -79.35 141.28 37.07 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.528 -177.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.6 tt -71.48 118.91 70.48 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.401 0.62 . . . . 0.0 112.286 -172.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -89.03 142.05 4.46 Favored 'Trans proline' 0 N--CA 1.454 -0.844 0 C-N-CA 122.939 2.426 . . . . 0.0 111.755 174.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -165.61 -46.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.357 0.599 . . . . 0.0 109.652 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.579 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 73.4 m-85 -117.83 169.33 7.77 Favored Pre-proline 0 C--N 1.321 -0.658 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 173.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.579 ' HD2' ' HB3' ' A' ' 10' ' ' PHE . 2.0 Cg_endo -46.14 -40.47 21.29 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 123.024 2.483 . . . . 0.0 111.92 176.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 31.6 ttt180 61.16 86.13 0.11 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.377 172.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.9 t -144.49 147.02 32.75 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.578 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.508 ' HB1' ' HA ' ' A' ' 110' ' ' ASN . . . -100.41 10.08 41.71 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.877 177.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.84 102.57 10.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.954 -178.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.455 HD12 HG12 ' A' ' 106' ' ' ILE . 58.3 mt -94.03 100.12 10.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 174.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -79.55 -34.06 41.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.899 -171.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.3 89.43 3.13 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.093 0.473 . . . . 0.0 111.515 -176.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.471 ' OH ' HG23 ' A' ' 126' ' ' VAL . 31.7 t80 -127.9 103.0 7.02 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.24 0.543 . . . . 0.0 109.897 173.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -173.11 38.55 0.14 Allowed Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 110.301 -1.12 . . . . 0.0 110.301 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.564 ' HG2' ' H ' ' A' ' 22' ' ' GLY . 54.3 tttm -154.05 177.53 10.96 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -174.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.564 ' H ' ' HG2' ' A' ' 21' ' ' LYS . . . -74.31 66.52 1.91 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.667 -0.777 . . . . 0.0 111.864 176.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 148.11 166.45 12.75 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 121.25 -0.5 . . . . 0.0 111.916 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.403 ' O ' ' HA ' ' A' ' 30' ' ' SER . 81.3 m-85 -95.92 117.65 31.03 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 179.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -98.83 110.65 23.22 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.336 0.589 . . . . 0.0 110.203 177.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -133.66 177.42 7.72 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.214 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.55 99.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.023 0.44 . . . . 0.0 111.03 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 141.27 -78.1 0.29 Allowed Glycine 0 N--CA 1.444 -0.787 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.517 -178.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 22.5 ptp -147.93 167.85 23.78 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.767 0.318 . . . . 0.0 110.641 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 24' ' ' PHE . 5.2 p -96.03 103.52 15.41 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 171.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -84.11 110.31 18.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.491 -174.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -79.53 112.36 16.71 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 173.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 132.17 -153.66 20.66 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.144 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.531 ' HB3' ' HE3' ' A' ' 45' ' ' TRP . 15.3 m -101.27 154.29 18.9 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.886 0.374 . . . . 0.0 111.382 -177.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.419 HD23 ' HA2' ' A' ' 44' ' ' GLY . 50.5 mt -135.09 147.56 49.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.016 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.864 ' HG ' ' HB2' ' A' ' 45' ' ' TRP . 63.1 mt -110.66 99.03 8.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.094 176.147 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.535 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 86.8 m-85 -81.19 90.43 6.07 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 177.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.482 HD22 HD11 ' A' ' 68' ' ' ILE . 66.5 mt -98.7 157.1 34.82 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.162 -176.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -52.83 -29.58 43.61 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.573 2.182 . . . . 0.0 112.038 173.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -63.47 -66.03 0.6 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.181 173.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -169.37 -175.09 2.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.021 -178.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.1 t -89.93 100.73 11.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -100.03 161.81 13.37 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.642 -177.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.419 ' HA2' HD23 ' A' ' 35' ' ' LEU . . . -82.56 154.81 33.14 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.789 178.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.864 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 15.0 t90 -141.45 150.15 41.92 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -89.36 -152.93 0.25 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 53.5 t 66.68 88.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.172 0.51 . . . . 0.0 111.132 177.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 p -86.25 -27.53 24.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.966 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -105.64 122.21 43.41 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 173.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.462 ' HG2' ' OE2' ' A' ' 51' ' ' GLU . 6.9 Cg_endo -51.01 -32.9 40.41 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 123.381 2.72 . . . . 0.0 113.243 -177.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.462 ' OE2' ' HG2' ' A' ' 50' ' ' PRO . 1.9 mp0 -71.21 84.65 0.75 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.895 0.378 . . . . 0.0 110.353 176.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 178.22 -32.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.026 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 70.6 mt -44.48 107.99 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 O-C-N 124.077 0.86 . . . . 0.0 111.867 -176.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.429 ' H ' ' HB2' ' A' ' 57' ' ' SER . 2.5 p-10 -141.34 -170.97 3.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.66 -177.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -65.5 -34.23 77.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.287 -177.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.631 ' HA ' ' HG2' ' A' ' 59' ' ' GLN . 56.9 m-85 -74.19 -42.47 59.8 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.858 0.361 . . . . 0.0 110.686 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.429 ' HB2' ' H ' ' A' ' 54' ' ' ASP . 42.5 m -65.73 -21.28 66.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.923 0.392 . . . . 0.0 110.879 178.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 99.3 mt -105.22 15.86 26.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.365 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.631 ' HG2' ' HA ' ' A' ' 56' ' ' TYR . 66.0 mm-40 -65.15 -28.5 69.46 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 122.302 -0.249 . . . . 0.0 111.661 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -69.92 -25.8 63.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.175 0.512 . . . . 0.0 109.997 173.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 61.2 t -78.03 -43.54 28.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.713 175.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.457 ' HA ' ' HB2' ' A' ' 65' ' ' ALA . 40.7 m-85 -59.49 -29.65 67.98 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.231 176.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -55.38 -55.49 30.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.57 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -110.22 32.18 5.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.682 -178.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.457 ' HB2' ' HA ' ' A' ' 62' ' ' PHE . . . -69.97 -9.57 55.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.613 -177.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -71.61 -22.56 61.69 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.429 ' O ' ' HA ' ' A' ' 118' ' ' ARG . . . -103.41 3.48 35.12 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.07 0.462 . . . . 0.0 110.569 177.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.482 HD11 HD22 ' A' ' 38' ' ' LEU . 64.0 mt -114.1 105.09 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.767 -176.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -95.88 -33.54 12.17 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.358 0.599 . . . . 0.0 109.908 176.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.1 m -123.88 129.99 51.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.577 177.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.511 HD23 HD12 ' A' ' 97' ' ' LEU . 61.1 tp -118.66 105.71 11.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.037 178.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 51.2 mt -91.69 117.96 36.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.655 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.8 t -105.18 116.06 48.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 120.963 0.411 . . . . 0.0 110.647 -178.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -97.04 101.23 2.57 Favored Glycine 0 N--CA 1.442 -0.903 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 176.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.583 HG21 ' HB3' ' A' ' 80' ' ' TRP . 17.0 p -82.27 10.53 6.76 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.119 0.485 . . . . 0.0 111.984 -173.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.492 ' HA2' HG22 ' A' ' 126' ' ' VAL . . . 117.99 -137.89 13.48 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.99 178.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -88.37 -21.12 24.5 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.268 0.556 . . . . 0.0 109.905 177.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -113.15 151.38 30.96 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.419 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 91.3 t -95.07 110.35 23.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.857 0.36 . . . . 0.0 110.915 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.583 ' HB3' HG21 ' A' ' 75' ' ' THR . 54.2 t90 -75.49 137.79 41.15 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 171.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 61.8 mt -87.17 106.86 16.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.988 0.423 . . . . 0.0 110.395 -174.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.403 ' HA ' ' HD2' ' A' ' 83' ' ' PRO . . . -74.32 127.65 87.35 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.356 177.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 82' ' ' ALA . 15.0 Cg_endo -57.81 139.96 92.07 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.797 2.331 . . . . 0.0 111.837 178.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.7 mtp-105 -68.62 -13.85 62.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.852 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -62.94 -52.17 64.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.296 177.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.9 tp -70.26 -38.43 75.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.772 178.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -62.78 -43.33 99.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.631 -178.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.474 ' HA ' ' OE1' ' A' ' 88' ' ' GLU . 1.7 tp10 -70.87 -30.93 67.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.009 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.06 -43.19 93.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.362 176.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 42.9 mt -67.52 -36.31 80.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.353 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 91' ' ' ARG . 0.9 OUTLIER -68.94 -28.04 66.29 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 177.415 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -61.87 -34.71 89.72 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.489 174.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.525 ' O ' ' HB2' ' A' ' 94' ' ' ASN . 39.0 t -72.45 -80.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 172.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.525 ' HB2' ' O ' ' A' ' 93' ' ' VAL . 9.4 t30 171.02 30.02 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 114.981 -1.009 . . . . 0.0 108.947 174.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 42.2 t -118.7 108.69 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.515 -174.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.2 t -85.28 100.71 8.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.318 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.511 HD12 HD23 ' A' ' 71' ' ' LEU . 9.6 tt -88.13 125.79 34.78 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.846 178.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -134.5 134.47 41.51 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 177.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.1 p -97.54 126.77 43.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.827 -174.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.423 ' O ' ' HA2' ' A' ' 74' ' ' GLY . 88.6 mtp -142.55 -175.59 4.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.792 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.484 ' HB2' ' HD2' ' A' ' 104' ' ' PRO . 21.2 mp0 -78.95 157.99 28.08 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 174.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.565 ' O ' HG13 ' A' ' 106' ' ' ILE . 6.5 p -61.64 -45.63 93.25 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -178.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -54.11 -63.97 4.69 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 121.526 -0.369 . . . . 0.0 113.321 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.484 ' HD2' ' HB2' ' A' ' 101' ' ' GLN . 52.1 Cg_exo -55.0 -35.1 89.23 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.781 2.321 . . . . 0.0 112.7 177.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.62 -41.36 98.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.786 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.565 HG13 ' O ' ' A' ' 102' ' ' THR . 82.7 mt -59.81 -44.87 95.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.184 176.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 54.4 ttp85 -59.87 -55.6 32.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.093 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.467 ' O ' ' HG3' ' A' ' 112' ' ' MET . 62.7 m -60.78 -44.75 96.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.287 -177.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -61.44 -42.88 99.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.791 0.329 . . . . 0.0 110.56 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.508 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 27.0 t-20 -55.09 -50.66 68.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.756 178.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.34 -43.34 87.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.277 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.467 ' HG3' ' O ' ' A' ' 108' ' ' THR . 83.9 mtp -64.64 -36.34 83.94 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -175.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.404 HD13 ' HA ' ' A' ' 113' ' ' ILE . 26.5 mm -64.31 -46.36 93.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.787 0.327 . . . . 0.0 110.376 176.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -68.71 -19.39 73.12 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.961 -0.637 . . . . 0.0 111.974 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -74.49 -72.03 0.31 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 116' ' ' ARG . 35.0 ttp180 -161.75 18.71 0.11 Allowed 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 120.782 0.325 . . . . 0.0 111.359 -178.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 42.6 mtt85 61.1 -142.11 0.5 Allowed 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.802 177.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.429 ' HA ' ' O ' ' A' ' 67' ' ' ALA . 48.0 mtp180 66.36 23.5 10.66 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.594 0.712 . . . . 0.0 110.799 -179.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.439 HG11 ' HB2' ' A' ' 112' ' ' MET . 7.2 p -134.65 143.05 38.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.003 -178.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.455 ' HB1' HD23 ' A' ' 38' ' ' LEU . . . -128.51 147.01 50.66 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.986 177.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.535 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -120.66 118.42 30.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.895 0.378 . . . . 0.0 111.306 -178.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -99.28 98.94 9.85 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 175.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 88.3 mt -111.24 126.64 55.09 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.451 -172.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 56.3 mt -101.35 138.46 25.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.747 177.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.78 123.79 20.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 111.073 178.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.492 HG22 ' HA2' ' A' ' 76' ' ' GLY . 44.5 t -66.88 124.62 89.13 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.6 179.028 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -73.88 94.19 0.87 Allowed 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.991 1.794 . . . . 0.0 111.036 173.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 11.0 mp -59.57 108.68 0.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.796 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -77.34 105.34 8.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.852 -178.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -126.43 83.3 2.15 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 171.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -123.11 112.43 17.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.938 0.399 . . . . 0.0 110.909 -173.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 65.5 m170 -93.27 -174.37 3.51 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.7 175.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 49.1 m80 -106.09 17.64 23.25 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.303 0.573 . . . . 0.0 110.266 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -148.83 140.16 23.27 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.675 177.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.471 177.93 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.32 101.66 4.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.475 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -134.0 52.41 2.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.733 -178.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 4' ' ' ARG . 22.7 ttt180 -150.75 99.43 2.73 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.056 179.306 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.6 m 69.51 -64.13 0.35 Allowed 'General case' 0 N--CA 1.466 0.352 0 O-C-N 124.028 0.83 . . . . 0.0 111.78 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -78.1 92.51 4.4 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.04 0.447 . . . . 0.0 110.371 177.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.5 pt -67.04 157.39 84.96 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.103 177.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.2 109.65 0.31 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.019 2.48 . . . . 0.0 112.837 -178.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 57.0 p-80 -139.36 174.1 10.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.66 178.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.466 ' CD1' ' HB1' ' A' ' 41' ' ' ALA . 2.3 p90 -69.59 110.74 6.97 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-O 121.07 0.462 . . . . 0.0 111.624 -179.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 10' ' ' PHE . 94.8 Cg_endo -102.25 40.67 0.05 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 124.062 3.175 . . . . 0.0 111.498 178.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.0 ttp180 70.71 104.26 0.06 Allowed 'General case' 0 N--CA 1.463 0.195 0 O-C-N 124.005 0.816 . . . . 0.0 109.434 -170.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.8 m -90.03 103.29 15.97 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.165 0.507 . . . . 0.0 110.381 -176.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.6 9.34 43.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.688 -177.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.449 ' HA ' ' OD1' ' A' ' 110' ' ' ASN . . . -151.37 112.91 4.4 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.697 177.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.486 HD13 HD21 ' A' ' 110' ' ' ASN . 2.2 mp -78.03 131.4 34.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 175.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -70.91 -64.47 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.867 -172.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.516 ' HB3' ' HB3' ' A' ' 25' ' ' TYR . . . -133.81 146.58 50.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.145 0.498 . . . . 0.0 111.798 -175.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -142.83 149.64 38.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.617 177.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 154.63 -160.45 29.61 Favored Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 178.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 ptmm? -67.55 155.93 37.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.895 0.378 . . . . 0.0 110.628 177.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.41 -37.89 3.28 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.057 -175.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.39 157.94 7.47 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.412 ' HE1' HD12 ' A' ' 35' ' ' LEU . 7.1 p90 -77.14 153.64 34.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.945 0.402 . . . . 0.0 110.629 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.516 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 81.3 t80 -139.22 141.61 37.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.793 -172.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -126.96 177.19 6.78 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 175.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.64 97.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.037 0.446 . . . . 0.0 110.99 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.41 -79.31 0.25 Allowed Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.991 -179.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -147.86 164.1 34.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.633 0.254 . . . . 0.0 110.618 -177.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.4 p -102.77 151.05 22.85 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 174.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -138.39 112.55 8.6 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.926 0.393 . . . . 0.0 110.953 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -74.24 153.01 39.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.619 174.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 111.51 -107.44 2.15 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -175.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.606 ' HB3' ' O ' ' A' ' 45' ' ' TRP . 15.8 t -159.2 157.64 31.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.094 0.473 . . . . 0.0 110.542 177.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.466 HD23 ' HA2' ' A' ' 44' ' ' GLY . 73.6 mt -139.5 150.0 44.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.036 178.254 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.717 ' HG ' ' HB2' ' A' ' 45' ' ' TRP . 83.4 mt -100.22 99.18 9.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.47 179.309 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.543 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 66.4 m-85 -89.53 88.9 7.61 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 175.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.421 ' C ' ' H ' ' A' ' 40' ' ' ASP . 75.4 mt -87.22 160.31 48.98 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.831 -178.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 38' ' ' LEU . 67.2 Cg_endo -74.63 32.73 0.36 Allowed 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.722 2.281 . . . . 0.0 112.044 176.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.421 ' H ' ' C ' ' A' ' 38' ' ' LEU . 29.7 t70 -150.92 -58.88 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.076 -175.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.466 ' HB1' ' CD1' ' A' ' 10' ' ' PHE . . . -146.3 167.21 24.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.437 179.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.1 t -110.92 128.62 67.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -127.0 163.28 24.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.727 0.299 . . . . 0.0 111.044 -177.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.466 ' HA2' HD23 ' A' ' 35' ' ' LEU . . . -88.88 135.46 13.03 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.095 -0.574 . . . . 0.0 111.898 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.717 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 5.7 t90 -137.74 92.77 2.71 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -175.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -79.16 84.06 5.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.379 0.609 . . . . 0.0 111.637 -174.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.7 t -124.06 99.12 6.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.259 172.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.1 m -78.46 -31.5 47.95 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.534 -175.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.666 ' HB2' ' HG3' ' A' ' 52' ' ' GLN . 89.1 mttt -113.06 127.67 26.55 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -61.64 -21.11 71.28 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.578 2.185 . . . . 0.0 112.15 178.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -71.91 -7.48 48.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.43 178.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.666 ' HG3' ' HB2' ' A' ' 49' ' ' LYS . 22.4 mt-30 -95.97 12.24 31.12 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.381 -177.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.425 HG22 HD21 ' A' ' 86' ' ' LEU . 69.3 mt -81.23 116.9 26.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.325 0.583 . . . . 0.0 110.828 -179.035 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.3 p30 -153.39 -167.08 2.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.863 -176.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.0 mtp-105 -77.88 -11.77 59.92 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.658 0.266 . . . . 0.0 111.303 -179.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -80.77 -44.25 18.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.225 0.536 . . . . 0.0 109.763 177.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.6 p -74.91 -43.78 52.39 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.68 177.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.6 mt -86.34 15.59 5.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.243 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.8 tm0? -52.95 -47.89 67.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.002 0.43 . . . . 0.0 110.748 -177.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.4 ttt-85 -69.82 -30.98 68.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.125 -178.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.9 t -68.85 -40.61 81.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.552 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -65.31 -29.3 70.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.707 176.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -80.4 -40.08 27.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.938 0.399 . . . . 0.0 110.488 179.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -86.34 17.89 3.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.18 -25.69 67.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.735 -177.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -69.96 -8.47 49.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.87 0.367 . . . . 0.0 111.239 178.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.414 ' O ' ' HB3' ' A' ' 118' ' ' ARG . . . -121.64 11.88 10.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.859 179.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 79.4 mt -136.7 119.59 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.88 -177.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -112.46 -25.06 9.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.818 0.342 . . . . 0.0 110.385 175.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.2 m -125.14 126.24 44.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.422 178.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.5 tp -116.79 104.93 11.83 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 178.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 59.8 mt -99.96 116.31 42.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.2 t -107.9 113.35 43.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.089 -175.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.443 ' HA3' ' HA ' ' A' ' 102' ' ' THR . . . -85.06 94.64 1.91 Allowed Glycine 0 N--CA 1.444 -0.786 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 170.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.552 HG21 ' HB3' ' A' ' 80' ' ' TRP . 16.5 p -67.45 -13.33 61.93 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -167.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.99 121.19 1.39 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.512 -0.851 . . . . 0.0 113.494 173.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.605 ' H ' HG12 ' A' ' 126' ' ' VAL . . . 76.47 -43.78 0.47 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.257 1.023 . . . . 0.0 111.76 173.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -152.29 177.32 10.69 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.2 t -92.53 106.81 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.096 0.474 . . . . 0.0 110.871 -176.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.552 ' HB3' HG21 ' A' ' 75' ' ' THR . 83.7 t90 -92.78 117.9 30.51 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.787 178.03 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 64.3 mt -87.41 116.49 29.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.345 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.61 140.8 97.62 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.296 -178.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -53.59 147.11 40.41 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 123.05 2.5 . . . . 0.0 112.377 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -55.22 -41.58 72.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.133 -175.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 50.0 tp60 -70.54 -37.04 74.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.742 0.306 . . . . 0.0 110.819 -176.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.425 HD21 HG22 ' A' ' 53' ' ' ILE . 58.3 tp -65.58 -42.9 91.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.27 0.557 . . . . 0.0 109.703 177.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 66.2 ttt180 -62.05 -43.38 98.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.226 177.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -66.43 -33.01 74.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.195 -179.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.05 96.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.024 0.44 . . . . 0.0 110.691 177.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.561 HD12 HD22 ' A' ' 97' ' ' LEU . 95.8 mt -70.01 -42.85 72.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.801 178.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 91' ' ' ARG . 1.3 mmp_? -70.7 -21.17 62.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.456 -179.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -66.34 -38.74 93.9 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 121.173 -0.537 . . . . 0.0 112.573 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.55 ' O ' ' HB2' ' A' ' 94' ' ' ASN . 19.5 m -81.79 -45.82 20.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.316 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.55 ' HB2' ' O ' ' A' ' 93' ' ' VAL . 66.6 t30 165.74 -21.95 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.794 0 O-C-N 123.487 0.492 . . . . 0.0 111.283 -178.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 48.4 t -69.87 125.64 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.198 0.523 . . . . 0.0 111.932 -169.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.2 t -87.66 108.34 18.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.454 173.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.561 HD22 HD12 ' A' ' 90' ' ' LEU . 69.9 tp -86.36 124.41 32.68 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.546 -179.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -130.67 114.58 15.58 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.991 0.424 . . . . 0.0 110.024 178.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.7 p -98.29 133.65 42.4 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.426 -176.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 22.9 ptp -161.27 -172.92 3.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.215 179.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -75.65 157.38 33.77 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 177.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.506 ' O ' HG13 ' A' ' 106' ' ' ILE . 4.3 m -58.55 -41.94 86.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.795 -176.094 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.25 -64.86 4.01 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 121.447 -0.406 . . . . 0.0 113.399 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.27 -34.08 78.24 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.788 2.325 . . . . 0.0 112.745 177.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.26 -46.12 91.69 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.9 0.381 . . . . 0.0 110.525 178.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 102' ' ' THR . 72.8 mt -58.97 -49.22 83.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.425 176.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -54.95 -52.26 63.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.248 -179.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.3 m -61.76 -36.6 81.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.415 -176.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -63.05 -46.7 86.27 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.644 177.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.486 HD21 HD13 ' A' ' 16' ' ' ILE . 29.6 m-80 -58.35 -31.84 67.97 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.162 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 49.3 mm -77.08 -54.1 13.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.032 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.518 ' HB2' HG11 ' A' ' 119' ' ' VAL . 25.4 mmt -67.87 -29.25 68.32 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -172.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 10.9 tp -63.49 -27.39 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.959 0.409 . . . . 0.0 110.946 -177.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -71.42 -29.27 68.36 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.036 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -91.78 13.65 17.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.67 0.271 . . . . 0.0 111.215 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 60.54 24.24 13.92 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.543 178.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -71.91 138.47 48.16 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.414 ' HB3' ' O ' ' A' ' 67' ' ' ALA . 60.6 mtt180 -78.15 67.3 3.95 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.301 0.572 . . . . 0.0 110.202 -178.396 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.518 HG11 ' HB2' ' A' ' 112' ' ' MET . 3.5 p -102.54 121.91 54.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.868 -177.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -103.11 121.41 42.57 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.723 176.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.543 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -98.51 104.47 16.51 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.079 0.466 . . . . 0.0 110.908 -179.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -89.07 98.41 11.75 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 175.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 86.4 mt -101.69 110.63 22.65 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.185 -172.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 64.1 mt -93.34 134.71 30.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 174.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -75.75 146.72 39.83 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.775 -177.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.605 HG12 ' H ' ' A' ' 77' ' ' ALA . 23.2 m -74.05 118.85 72.83 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.775 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.524 ' HD2' ' HB2' ' A' ' 77' ' ' ALA . 7.8 Cg_exo -74.28 0.66 8.24 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.824 2.349 . . . . 0.0 111.989 178.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 28.0 tp 65.42 -80.79 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.16 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -122.49 24.1 9.39 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.658 0.742 . . . . 0.0 109.228 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.449 ' HA ' ' HB2' ' A' ' 127' ' ' PRO . 84.8 m-70 75.0 -44.0 0.53 Allowed 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.649 178.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 43.0 m80 -130.12 154.35 47.58 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 175.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -71.4 92.47 1.08 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.04 0.448 . . . . 0.0 111.455 -177.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 49.0 m170 59.48 -96.63 0.07 Allowed 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.095 178.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.432 ' O ' ' HB3' ' A' ' 135' ' ' HIS . 20.4 p-80 -171.07 138.26 1.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 175.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.432 ' HB3' ' O ' ' A' ' 134' ' ' HIS . 56.0 t60 . . . . . 0 C--O 1.244 0.815 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.105 -174.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.2 ttp . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 110.55 -0.167 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.13 -175.22 0.15 Allowed 'General case' 0 C--O 1.236 0.371 0 O-C-N 123.579 0.549 . . . . 0.0 111.536 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -91.37 118.74 30.78 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 4' ' ' ARG . 31.5 mtm180 -89.66 -70.7 0.65 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.956 -175.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 p -95.99 102.75 14.58 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.299 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -89.8 150.59 22.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.663 -177.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.3 pt -99.42 98.1 6.39 Favored Pre-proline 0 C--N 1.32 -0.716 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 168.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -68.07 -11.36 31.8 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.793 2.329 . . . . 0.0 113.465 -169.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.453 ' C ' ' HD3' ' A' ' 11' ' ' PRO . 64.5 t60 66.39 171.34 0.24 Allowed 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 -178.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.444 ' CD2' ' HB ' ' A' ' 42' ' ' VAL . 0.8 OUTLIER -119.18 78.39 17.92 Favored Pre-proline 0 C--N 1.322 -0.619 0 O-C-N 121.464 -0.773 . . . . 0.0 110.226 177.465 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.453 ' HD3' ' C ' ' A' ' 9' ' ' HIS . 83.4 Cg_endo -104.04 161.3 0.22 Allowed 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 123.753 2.969 . . . . 0.0 113.469 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.6 mmm-85 56.38 32.31 20.32 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.659 169.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.544 ' HB ' HG21 ' A' ' 42' ' ' VAL . 8.6 m -90.1 106.23 18.34 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.879 0.371 . . . . 0.0 110.533 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.468 ' HB2' HG21 ' A' ' 113' ' ' ILE . . . -129.03 6.48 5.43 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.349 179.052 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.38 102.22 14.9 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.468 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.474 HD12 HG23 ' A' ' 106' ' ' ILE . 67.5 mt -103.03 121.39 54.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 175.394 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -80.69 -59.81 2.54 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.174 -171.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.537 ' HB3' ' HB3' ' A' ' 25' ' ' TYR . . . -126.97 153.52 45.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.015 0.436 . . . . 0.0 110.71 -178.027 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -132.5 114.06 13.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.421 -178.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 141.06 -77.4 0.3 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.357 178.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -74.65 139.81 43.82 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.928 0.394 . . . . 0.0 110.394 -179.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.35 18.83 58.97 Favored Glycine 0 CA--C 1.52 0.359 0 CA-C-N 115.489 -0.778 . . . . 0.0 112.716 -176.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.436 ' HA3' ' HA ' ' A' ' 32' ' ' GLN . . . 75.08 -104.69 1.77 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.948 -178.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -107.4 108.3 19.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.0 0.429 . . . . 0.0 110.205 176.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.537 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 85.3 t80 -103.43 120.84 41.6 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.242 178.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -135.99 177.2 8.02 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 176.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.83 96.79 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.964 0.412 . . . . 0.0 110.512 178.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 146.45 -60.9 0.47 Allowed Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.627 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 22.3 ptp -147.88 161.63 40.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.993 0.425 . . . . 0.0 111.869 -175.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.0 m -101.46 96.87 7.43 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 168.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -105.51 105.47 15.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.138 0.494 . . . . 0.0 111.569 -171.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.436 ' HA ' ' HA3' ' A' ' 23' ' ' GLY . 5.4 pm0 -84.59 159.0 20.73 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 172.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.19 -111.97 3.34 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.474 -0.87 . . . . 0.0 111.526 -178.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.505 ' OG ' ' HB3' ' A' ' 45' ' ' TRP . 20.7 p -151.74 156.17 39.75 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.19 0.519 . . . . 0.0 111.34 178.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 90.3 mt -128.85 135.9 49.73 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.963 177.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.0 tt -108.71 105.54 15.18 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.542 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 97.6 m-85 -94.65 131.53 40.33 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.777 -178.287 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.2 mt -117.85 161.08 36.01 Favored Pre-proline 0 C--N 1.318 -0.765 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 175.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -47.69 -30.47 12.7 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.168 2.578 . . . . 0.0 114.027 -176.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -137.26 19.69 2.96 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -178.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -153.15 153.54 32.98 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.791 -176.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.544 HG21 ' HB ' ' A' ' 13' ' ' THR . 59.6 t -129.34 121.58 53.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 174.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -119.97 143.67 47.9 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.938 0.399 . . . . 0.0 110.995 -177.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.57 118.21 5.17 Favored Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 173.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.505 ' HB3' ' OG ' ' A' ' 34' ' ' SER . 2.1 t90 -87.16 141.11 28.89 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -176.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -91.7 10.61 27.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.836 0.827 . . . . 0.0 111.127 -172.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 91.9 t -91.73 117.0 34.11 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.895 -175.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.0 m -108.25 -3.5 18.39 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.462 0.648 . . . . 0.0 110.172 -179.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.618 ' HB2' ' HB2' ' A' ' 52' ' ' GLN . 50.3 mttp -128.03 124.43 23.13 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.046 -178.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.28 -39.46 86.67 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.565 2.177 . . . . 0.0 112.724 178.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -84.2 9.57 12.5 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 121.363 0.601 . . . . 0.0 110.796 -178.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.618 ' HB2' ' HB2' ' A' ' 49' ' ' LYS . 53.9 tt0 -91.03 -9.28 46.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.333 0.587 . . . . 0.0 110.417 179.135 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.43 HD12 ' CZ3' ' A' ' 80' ' ' TRP . 66.1 mt -67.72 105.64 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.359 0.599 . . . . 0.0 110.891 -179.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.825 ' H ' ' HB3' ' A' ' 57' ' ' SER . 2.8 p-10 -130.38 -168.81 2.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.007 -178.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.78 -43.4 90.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.122 -178.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -80.51 -31.05 37.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.454 -176.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.825 ' HB3' ' H ' ' A' ' 54' ' ' ASP . 38.3 t -61.03 -36.8 80.52 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.254 0.549 . . . . 0.0 110.187 175.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.54 HD12 HD11 ' A' ' 86' ' ' LEU . 92.8 mt -93.53 24.83 3.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.995 179.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -52.04 -44.3 64.15 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.046 0.45 . . . . 0.0 110.744 178.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -73.12 -21.33 60.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.906 -177.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.513 HG21 HD22 ' A' ' 58' ' ' LEU . 87.0 t -80.8 -47.1 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.272 179.319 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -66.37 -33.94 76.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.846 0.355 . . . . 0.0 110.284 176.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -57.04 -54.91 41.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.27 178.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -107.7 30.19 6.53 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.27 -175.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.04 -30.59 68.14 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.617 -178.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -62.69 -23.44 67.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.486 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -98.41 -0.17 44.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.025 0.44 . . . . 0.0 111.05 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 67.4 mt -108.84 136.49 44.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.979 -176.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.41 ' HB3' ' HB2' ' A' ' 118' ' ' ARG . 4.9 t70 -116.78 -61.64 1.69 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 172.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.0 m -104.97 126.78 52.4 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.355 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.6 tp -112.34 107.19 15.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.008 0.433 . . . . 0.0 110.188 178.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 61.3 mt -94.2 113.25 28.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.917 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 80.9 t -107.75 116.54 51.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.85 0.357 . . . . 0.0 110.858 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -95.09 109.7 3.89 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 175.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.468 ' CG2' ' HB3' ' A' ' 80' ' ' TRP . 72.2 p -88.75 13.13 13.11 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -172.005 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.41 -139.3 14.46 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.524 178.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.33 -47.64 33.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.908 0.385 . . . . 0.0 111.153 -176.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -97.45 156.27 16.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.008 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.4 t -87.56 111.05 21.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -176.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.468 ' HB3' ' CG2' ' A' ' 75' ' ' THR . 58.7 t90 -88.8 123.23 33.0 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 174.414 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 11.0 tt -93.27 116.04 33.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.302 0.572 . . . . 0.0 110.148 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.69 133.67 89.15 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.757 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -51.16 136.52 45.84 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.702 2.268 . . . . 0.0 111.2 177.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.434 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 71.8 ttt180 -59.12 -35.85 74.18 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 121.217 -0.193 . . . . 0.0 111.268 -174.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -61.05 -39.37 89.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.961 0.41 . . . . 0.0 110.552 177.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.54 HD11 HD12 ' A' ' 58' ' ' LEU . 55.8 tp -72.26 -42.25 65.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.157 177.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -57.33 -51.1 70.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.711 178.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 84' ' ' ARG . 10.9 mm-40 -66.66 -30.29 70.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.203 -177.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.88 -46.68 80.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.872 0.368 . . . . 0.0 110.575 176.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.799 HD12 HD22 ' A' ' 97' ' ' LEU . 91.0 mt -70.51 -41.86 72.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.718 178.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 56.9 ttp85 -63.34 -28.01 69.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.682 -178.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -74.99 -30.71 58.82 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.454 178.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.49 HG23 HG23 ' A' ' 95' ' ' VAL . 30.1 m -96.08 29.64 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 O-C-N 122.71 -0.288 . . . . 0.0 111.287 -178.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.2 t30 77.51 0.67 2.93 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.976 171.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.49 HG23 HG23 ' A' ' 93' ' ' VAL . 65.2 t -87.38 107.45 17.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 O-C-N 122.011 -0.431 . . . . 0.0 110.873 -177.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.2 t -76.67 93.96 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.155 0.502 . . . . 0.0 109.867 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.799 HD22 HD12 ' A' ' 90' ' ' LEU . 54.3 tp -83.07 120.31 25.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.236 -177.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -129.83 125.18 35.08 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.5 p -103.87 126.04 50.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.522 -176.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 24.5 ptp -147.99 175.94 10.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.467 -177.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -72.53 159.91 33.16 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 176.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.482 ' O ' HG13 ' A' ' 106' ' ' ILE . 0.1 OUTLIER -63.14 -31.53 72.7 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -178.419 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.55 -67.06 2.41 Favored Glycine 0 CA--C 1.522 0.489 0 C-N-CA 121.117 -0.564 . . . . 0.0 112.414 178.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -57.96 -29.16 85.67 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.663 2.242 . . . . 0.0 112.485 176.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.05 -48.37 78.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.065 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' ' 102' ' ' THR . 78.8 mt -60.38 -42.53 91.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-O 120.82 0.343 . . . . 0.0 110.254 178.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -57.06 -56.02 27.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.724 177.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.5 m -64.55 -41.63 96.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.453 -175.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -61.07 -47.86 84.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.806 -0.179 . . . . 0.0 111.291 -178.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -60.33 -37.34 80.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.011 0.434 . . . . 0.0 110.59 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 76.7 mt -74.18 -43.53 50.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 178.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 17.8 mmt -61.5 -43.32 99.07 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -177.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.468 HG21 ' HB2' ' A' ' 14' ' ' ALA . 10.8 tp -68.89 -26.04 31.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.941 0.4 . . . . 0.0 110.421 -179.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -85.49 -21.67 53.36 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.161 178.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.416 ' OE2' ' HD2' ' A' ' 117' ' ' ARG . 30.1 tt0 -85.26 -4.47 59.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.14 0.495 . . . . 0.0 110.054 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 63.39 66.51 0.7 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.703 176.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.416 ' HD2' ' OE2' ' A' ' 115' ' ' GLU . 35.8 mtp-105 -127.59 170.89 12.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.03 176.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.41 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 89.8 mtt180 -84.58 86.26 7.33 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 176.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 7.6 p -120.02 137.07 55.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 121.222 0.534 . . . . 0.0 111.433 -175.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -122.14 142.27 50.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.324 -0.853 . . . . 0.0 108.886 173.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.542 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -125.78 118.46 25.6 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.016 0.436 . . . . 0.0 111.517 -175.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -103.76 95.99 6.4 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 75.5 mt -103.65 116.57 32.59 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.199 -173.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 60.3 mt -101.84 128.04 54.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.492 176.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.84 163.08 28.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.71 -178.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.436 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . 19.0 m -65.04 129.38 94.47 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.52 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 126' ' ' VAL . 19.0 Cg_exo -66.23 96.19 0.33 Allowed 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.944 2.429 . . . . 0.0 112.311 -178.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 93.5 mt -79.89 166.31 21.79 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.294 178.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -65.96 -75.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.367 0.603 . . . . 0.0 110.491 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.3 p80 175.35 -170.15 0.05 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 -178.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -65.35 109.18 2.18 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 172.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -66.99 -25.95 66.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.646 -174.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 42.1 t-80 -78.4 83.82 4.6 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 174.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -167.77 102.16 0.48 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.427 -177.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 2.4 p80 . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.189 174.382 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.0 mmt . . . . . 0 N--CA 1.482 1.142 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -51.64 -65.65 0.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -171.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.483 ' O ' ' HB3' ' A' ' 4' ' ' ARG . 8.0 tt0 -90.44 59.56 4.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.291 -0.256 . . . . 0.0 111.399 -173.019 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.483 ' HB3' ' O ' ' A' ' 3' ' ' GLN . 12.3 ptm180 176.79 -26.72 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 173.18 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 p -152.11 70.31 0.92 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.23 0.538 . . . . 0.0 111.127 179.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -106.63 98.66 8.31 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.655 178.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.7 mt 60.44 81.9 0.23 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.746 -176.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -75.56 -21.15 15.12 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.762 2.308 . . . . 0.0 112.192 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.507 ' HD2' ' O ' ' A' ' 10' ' ' PHE . 15.6 p-80 -171.2 170.08 6.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.601 -177.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.507 ' O ' ' HD2' ' A' ' 9' ' ' HIS . 68.0 m-85 -61.63 141.96 94.62 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 174.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 10' ' ' PHE . 16.6 Cg_exo -69.06 53.55 0.84 Allowed 'Trans proline' 0 N--CA 1.476 0.497 0 C-N-CA 123.597 2.865 . . . . 0.0 114.149 -172.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 50.3 ttp180 52.94 82.38 0.07 Allowed 'General case' 0 C--O 1.235 0.308 0 C-N-CA 123.295 0.638 . . . . 0.0 111.659 174.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.435 ' HB ' ' CG2' ' A' ' 42' ' ' VAL . 20.0 m -101.03 103.4 14.52 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.186 0.517 . . . . 0.0 110.615 179.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.514 ' HB1' HG21 ' A' ' 113' ' ' ILE . . . -119.68 -25.8 5.85 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.804 177.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.34 104.61 17.12 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.837 177.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.513 ' HB ' HG23 ' A' ' 106' ' ' ILE . 57.0 mt -75.79 126.01 36.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.278 -177.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.569 ' HB3' ' HA ' ' A' ' 26' ' ' PHE . 45.0 t0 -68.57 -74.23 0.13 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.751 -173.065 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -163.48 176.62 9.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.925 0.393 . . . . 0.0 111.511 -179.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -149.1 159.32 44.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.812 176.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -138.69 -159.42 8.05 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.867 -0.683 . . . . 0.0 111.68 179.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.635 ' HD3' ' H ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -84.42 -20.07 32.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.979 0.418 . . . . 0.0 110.322 179.619 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.603 ' O ' ' HA ' ' A' ' 31' ' ' HIS . . . -101.83 37.01 3.85 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.56 179.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.02 -167.1 20.44 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.11 -179.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -79.86 156.74 27.2 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.86 0.362 . . . . 0.0 110.647 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -137.1 96.08 3.22 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.569 ' HA ' ' HB3' ' A' ' 17' ' ' ASP . 17.2 p90 -132.99 120.77 21.83 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.583 -173.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 60.87 17.21 7.55 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.291 174.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 109.58 -13.57 32.75 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.232 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 86.8 mtp -87.64 126.91 35.23 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.8 t -133.51 173.34 11.59 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.028 -173.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.603 ' HA ' ' O ' ' A' ' 22' ' ' GLY . 18.8 m-70 65.21 25.46 12.32 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.882 177.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.523 ' HG2' HD21 ' A' ' 35' ' ' LEU . 56.4 tp60 -96.47 112.82 24.42 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 175.398 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.51 -40.18 39.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.932 -0.652 . . . . 0.0 113.397 -174.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.729 ' HB2' ' HB3' ' A' ' 45' ' ' TRP . 0.9 OUTLIER -136.38 140.62 43.36 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.97 0.385 . . . . 0.0 110.963 -176.426 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.523 HD21 ' HG2' ' A' ' 32' ' ' GLN . 50.8 mt -132.11 139.6 48.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.514 ' HG ' ' HB2' ' A' ' 45' ' ' TRP . 97.6 mt -106.31 98.14 7.85 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.984 177.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.423 ' CE1' HD12 ' A' ' 123' ' ' LEU . 69.5 m-85 -86.01 94.29 9.19 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.713 -179.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.4 mt -89.27 160.17 43.19 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 175.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -72.49 44.8 0.76 Allowed 'Trans proline' 0 CA--C 1.535 0.548 0 C-N-CA 122.942 2.428 . . . . 0.0 112.983 -177.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -173.87 -57.3 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.297 0.57 . . . . 0.0 109.979 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.482 ' HB1' ' HD1' ' A' ' 10' ' ' PHE . . . -130.69 152.34 50.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.914 -177.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.435 ' CG2' ' HB ' ' A' ' 13' ' ' THR . 59.3 t -110.1 122.68 65.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.045 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 88.2 m95 -112.91 171.54 7.47 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.688 -177.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.74 153.51 21.26 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.907 -0.664 . . . . 0.0 112.59 -178.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.729 ' HB3' ' HB2' ' A' ' 34' ' ' SER . 2.8 t90 -134.88 160.33 38.59 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.571 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -121.01 29.12 7.52 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.374 0.606 . . . . 0.0 111.722 -171.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.563 HG13 ' HB2' ' A' ' 52' ' ' GLN . 74.1 t -111.25 97.81 6.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 O-C-N 121.691 -0.63 . . . . 0.0 110.852 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.2 m -86.78 -33.06 20.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.282 0.563 . . . . 0.0 110.539 -179.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -106.85 126.37 30.4 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 175.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -60.19 -11.94 17.84 Favored 'Trans proline' 0 N--CA 1.474 0.356 0 C-N-CA 122.917 2.411 . . . . 0.0 112.951 -176.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -86.45 1.92 49.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.043 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.563 ' HB2' HG13 ' A' ' 47' ' ' VAL . 52.9 mt-30 -94.4 -8.45 38.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.883 178.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 65.2 mt -68.75 104.29 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.289 0.566 . . . . 0.0 111.955 -173.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -109.62 167.91 9.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.095 173.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -55.51 -39.77 70.92 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.857 0.36 . . . . 0.0 110.742 175.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -81.42 -12.07 59.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.662 -178.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.9 m -76.78 -25.91 53.88 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 170.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.0 mt -97.12 19.42 12.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.282 177.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -53.66 -44.72 69.87 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.259 0.552 . . . . 0.0 110.889 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -71.77 -19.88 61.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.337 -177.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.6 t -87.12 -49.01 15.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.045 -176.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -59.47 -30.24 68.38 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.877 0.37 . . . . 0.0 111.447 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -68.3 -40.8 81.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.117 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -96.17 13.91 25.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.462 0.649 . . . . 0.0 110.29 -175.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.71 -16.81 43.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.534 -175.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 35.9 p30 -67.82 -22.55 65.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.766 0.317 . . . . 0.0 111.248 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -103.99 4.17 34.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.968 0.413 . . . . 0.0 110.448 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 51.0 mt -107.17 89.61 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.86 -177.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.403 ' HB3' ' HB2' ' A' ' 118' ' ' ARG . 2.7 t70 -75.13 -47.85 26.6 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.377 -0.829 . . . . 0.0 108.991 172.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.47 ' HB ' HG23 ' A' ' 119' ' ' VAL . 25.0 m -117.95 128.5 54.86 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.078 176.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 51.6 tp -110.33 111.31 22.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.002 177.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 75.2 mt -97.34 122.44 48.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.583 -179.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.6 t -104.8 106.9 21.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 175.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -99.97 98.71 1.94 Allowed Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.904 -178.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.503 ' O ' ' HA ' ' A' ' 101' ' ' GLN . 16.6 p -99.45 121.91 41.8 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.072 0.463 . . . . 0.0 111.275 -177.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -87.97 42.35 3.1 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.625 -0.797 . . . . 0.0 111.902 177.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -149.85 79.48 1.37 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 120.78 0.324 . . . . 0.0 110.616 -176.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.2 t70 66.04 -157.88 0.26 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.973 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 38.7 t -96.48 96.94 5.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 176.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 72.4 t90 -90.87 111.77 23.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.037 0.446 . . . . 0.0 110.509 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 11.0 tt -92.09 131.93 37.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.838 175.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.16 132.98 87.85 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.682 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -57.6 145.56 88.65 Favored 'Trans proline' 0 C--O 1.236 0.382 0 C-N-CA 122.818 2.345 . . . . 0.0 111.286 177.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.438 ' HD3' ' N ' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -63.41 -28.53 70.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.123 -173.606 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.438 ' N ' ' HD3' ' A' ' 84' ' ' ARG . 7.7 tt0 -60.08 -43.85 95.19 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.888 0.375 . . . . 0.0 110.048 177.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.2 tp -76.95 -44.55 30.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.397 -178.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 61.0 ttp85 -57.65 -47.97 80.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.21 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -78.94 -21.74 46.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.485 -177.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.61 -43.09 77.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.96 0.409 . . . . 0.0 109.942 173.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.62 HD12 HD22 ' A' ' 97' ' ' LEU . 96.0 mt -67.1 -34.57 77.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.364 176.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -59.91 -34.13 72.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.245 176.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -63.44 -27.39 70.74 Favored Glycine 0 CA--C 1.518 0.227 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.217 177.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.436 ' O ' ' HB2' ' A' ' 94' ' ' ASN . 8.0 t -90.86 -2.48 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.158 0.504 . . . . 0.0 109.738 178.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.471 HD22 ' N ' ' A' ' 94' ' ' ASN . 0.9 OUTLIER 73.62 23.26 2.44 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.262 179.423 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.7 t -91.2 124.96 43.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.404 179.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.2 t -78.64 109.77 13.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.36 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.62 HD22 HD12 ' A' ' 90' ' ' LEU . 63.5 tp -92.37 133.94 35.4 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.425 -177.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -142.65 129.84 20.92 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 175.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.5 t -123.01 138.78 54.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.017 0.436 . . . . 0.0 111.346 -176.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -160.79 -171.88 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.706 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.503 ' HA ' ' O ' ' A' ' 75' ' ' THR . 26.1 mp0 -80.23 159.83 25.79 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 179.227 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.479 ' O ' HG13 ' A' ' 106' ' ' ILE . 3.5 m -51.78 -47.88 64.01 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 123.552 0.533 . . . . 0.0 112.121 -176.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -54.39 -65.45 3.49 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 121.245 -0.502 . . . . 0.0 113.012 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.16 -34.42 78.57 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.713 2.275 . . . . 0.0 112.685 176.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.34 -44.71 94.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.151 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.513 HG23 ' HB ' ' A' ' 16' ' ' ILE . 77.7 mt -56.65 -49.4 78.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.106 0.479 . . . . 0.0 110.299 177.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 107' ' ' ARG . 43.4 ttp180 -61.41 -45.05 95.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.665 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 45.7 m -64.07 -45.38 89.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.269 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -65.31 -43.35 91.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.652 0.263 . . . . 0.0 110.771 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -59.49 -30.67 68.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.792 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 77.1 mt -82.06 -49.54 17.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.948 0.404 . . . . 0.0 110.829 175.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.462 ' HA ' ' HB3' ' A' ' 115' ' ' GLU . 47.9 mtt -64.59 -28.36 69.57 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -174.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.514 HG21 ' HB1' ' A' ' 14' ' ' ALA . 10.7 tp -62.82 -32.01 54.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.865 0.364 . . . . 0.0 110.505 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -89.87 -29.21 16.21 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.603 176.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.462 ' HB3' ' HA ' ' A' ' 112' ' ' MET . 31.2 tt0 -69.62 -62.37 1.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.886 0.374 . . . . 0.0 111.45 179.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.418 ' O ' ' HG3' ' A' ' 118' ' ' ARG . 60.3 mtt180 -100.72 -33.93 10.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.65 -172.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 46.7 tpt85 67.97 7.79 6.03 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.604 0.716 . . . . 0.0 110.434 -178.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' A' ' 116' ' ' ARG . 55.4 mtp180 -127.1 31.76 5.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.084 -177.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.47 HG23 ' HB ' ' A' ' 70' ' ' THR . 7.4 p -111.8 136.49 47.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.014 0.435 . . . . 0.0 111.03 -175.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -120.6 136.35 54.83 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.791 177.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.416 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -118.39 117.78 30.0 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.036 0.446 . . . . 0.0 111.503 -176.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -95.17 99.53 11.48 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 173.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.423 HD12 ' CE1' ' A' ' 37' ' ' PHE . 66.0 mt -100.96 133.39 45.51 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.143 0.497 . . . . 0.0 111.847 -172.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 64.2 mt -115.93 135.49 55.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.224 175.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.64 -174.26 2.9 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.031 0.443 . . . . 0.0 111.352 -179.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 45.7 t -88.75 114.97 62.11 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.055 179.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.409 ' HB2' ' HG3' ' A' ' 129' ' ' GLU . 33.7 Cg_endo -65.25 140.99 66.96 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.4 2.067 . . . . 0.0 111.956 179.051 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.407 HD12 ' N ' ' A' ' 128' ' ' LEU . 4.6 mp -83.86 56.58 3.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.071 0.463 . . . . 0.0 110.613 -177.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.409 ' HG3' ' HB2' ' A' ' 127' ' ' PRO . 49.0 mt-10 -97.35 -7.0 32.96 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.283 -177.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.69 138.65 53.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.047 0.451 . . . . 0.0 110.823 177.016 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -81.91 130.87 35.2 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.727 -176.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 32.3 p-80 -134.72 127.82 31.75 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 172.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -96.26 -66.21 0.92 Allowed 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -177.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -93.89 133.61 37.14 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 174.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 . . . . . 0 C--O 1.247 0.952 0 CA-C-O 117.892 -1.051 . . . . 0.0 109.547 -173.662 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ttt . . . . . 0 N--CA 1.482 1.138 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -127.84 123.42 35.08 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 176.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -84.48 42.05 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.642 0.734 . . . . 0.0 110.739 -176.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -137.63 141.57 41.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.166 -0.925 . . . . 0.0 108.873 176.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.1 t -151.48 27.96 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.088 0.47 . . . . 0.0 110.824 -175.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -90.89 -0.2 57.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.985 -175.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.1 tt -75.96 110.34 10.69 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.069 176.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -93.11 -174.93 0.47 Allowed 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 122.892 2.395 . . . . 0.0 113.155 -175.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.509 ' O ' ' HD3' ' A' ' 11' ' ' PRO . 80.4 m80 -133.79 150.97 51.45 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 176.127 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.436 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 71.4 m-85 -101.14 101.96 18.57 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-O 121.021 0.439 . . . . 0.0 110.685 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.509 ' HD3' ' O ' ' A' ' 9' ' ' HIS . 15.5 Cg_endo -91.35 113.64 0.38 Allowed 'Trans proline' 0 N--CA 1.448 -1.154 0 C-N-CA 123.541 2.827 . . . . 0.0 112.203 -178.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' A' ' 39' ' ' PRO . 24.0 ttm-85 62.28 29.75 17.4 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.672 177.196 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.3 m -90.6 103.41 16.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.875 -178.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -108.38 24.48 12.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.78 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -103.43 103.27 13.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.176 -177.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.7 mt -100.95 112.93 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 175.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.405 ' OD1' ' HA ' ' A' ' 26' ' ' PHE . 7.0 p-10 -91.56 -8.67 46.77 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -174.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.464 ' HB3' ' HB3' ' A' ' 25' ' ' TYR . . . -154.51 124.46 6.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.085 0.469 . . . . 0.0 111.804 175.259 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -137.16 137.01 38.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.238 0.542 . . . . 0.0 110.737 175.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 152.27 -167.39 31.29 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt 64.33 -83.05 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.943 0.437 . . . . 0.0 111.046 176.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.841 ' HA3' HD11 ' A' ' 128' ' ' LEU . . . -174.65 27.28 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 179.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -165.4 168.19 39.29 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.432 -178.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -104.01 120.59 41.39 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.53 ' HA ' ' O ' ' A' ' 29' ' ' MET . 86.3 t80 -109.86 113.38 26.06 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 175.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.405 ' HA ' ' OD1' ' A' ' 17' ' ' ASP . 30.6 p90 -142.22 127.89 19.19 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.804 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 64.2 11.14 6.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.057 -0.974 . . . . 0.0 113.018 172.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 130.22 -23.53 4.6 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 119.937 -1.125 . . . . 0.0 113.967 175.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.53 ' O ' ' HA ' ' A' ' 25' ' ' TYR . 13.0 ptp -106.6 144.46 33.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 117.757 0.778 . . . . 0.0 111.304 -178.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.5 t -117.18 100.44 7.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.222 176.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -108.35 121.18 44.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.679 0.276 . . . . 0.0 110.517 -176.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -86.41 152.67 22.51 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.002 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.91 -132.09 10.94 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.29 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.491 ' HB3' ' HE3' ' A' ' 45' ' ' TRP . 40.2 m -121.09 154.14 36.52 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.808 0.337 . . . . 0.0 110.896 -177.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 88.6 mt -138.52 152.33 48.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.844 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.873 ' HG ' ' HB2' ' A' ' 45' ' ' TRP . 82.8 mt -110.69 104.56 13.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.305 178.127 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.462 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 97.1 m-85 -90.33 98.58 11.86 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.2 mt -92.07 155.89 42.62 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.667 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.518 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 36.1 Cg_exo -61.82 -10.68 17.97 Favored 'Trans proline' 0 CA--C 1.53 0.288 0 C-N-CA 122.959 2.439 . . . . 0.0 113.521 -176.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -120.38 -24.63 5.83 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -177.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -164.43 161.03 21.25 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.814 0.34 . . . . 0.0 111.424 -178.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.1 t -104.68 128.64 58.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.429 179.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -129.09 174.85 9.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.456 179.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.51 156.17 22.5 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.309 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.873 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 12.3 t90 -131.06 122.33 26.55 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -90.86 74.05 6.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.374 0.607 . . . . 0.0 111.969 -172.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.9 t -135.05 116.04 19.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 168.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.7 m -83.82 -32.6 25.21 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 120.892 0.377 . . . . 0.0 111.905 -170.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.478 ' HE3' ' HB2' ' A' ' 49' ' ' LYS . 30.6 ttmt -138.33 125.95 13.66 Favored Pre-proline 0 C--N 1.323 -0.567 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.605 -175.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.467 ' HD3' HG21 ' A' ' 124' ' ' ILE . 25.6 Cg_endo -62.65 92.7 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.061 2.507 . . . . 0.0 112.308 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -179.16 -49.67 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.067 -0.97 . . . . 0.0 108.926 -177.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -96.21 51.47 1.22 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.142 -175.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 57.8 mt -92.3 118.17 37.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.339 173.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -134.23 -171.6 2.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.612 -174.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.521 ' HG3' ' CE2' ' A' ' 62' ' ' PHE . 18.4 ttt180 -72.46 -23.55 61.07 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -174.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -78.59 -31.78 47.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.986 0.422 . . . . 0.0 110.522 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.4 p -83.94 -28.02 28.13 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.962 0.411 . . . . 0.0 110.724 178.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 88.3 mt -91.52 9.6 31.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.906 175.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -62.12 -32.92 73.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.934 0.397 . . . . 0.0 111.028 -175.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.42 ' HD3' ' CD1' ' A' ' 36' ' ' LEU . 40.4 mtt85 -60.57 -31.31 70.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.12 175.341 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.487 HG11 HD22 ' A' ' 71' ' ' LEU . 64.0 t -76.52 -40.7 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.794 -178.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.521 ' CE2' ' HG3' ' A' ' 55' ' ' ARG . 74.3 m-85 -62.85 -32.41 73.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.558 -178.17 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -77.01 -50.1 13.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.059 0.457 . . . . 0.0 110.447 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -86.26 20.9 2.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.294 0.569 . . . . 0.0 110.754 -175.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.32 -9.83 27.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.078 0.466 . . . . 0.0 111.433 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -75.92 -22.54 55.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.527 176.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -112.35 -28.17 8.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.424 178.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 62.9 mt -87.97 87.58 2.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.308 177.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -82.69 -58.0 3.08 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.659 176.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.6 m -104.2 123.93 48.21 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.541 176.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.487 HD22 HG11 ' A' ' 61' ' ' VAL . 56.4 tp -115.45 128.07 55.78 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.041 0.448 . . . . 0.0 110.916 -177.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 74.4 mt -115.76 124.29 72.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.853 178.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.614 ' HB ' HG22 ' A' ' 99' ' ' THR . 92.8 t -116.8 120.81 66.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.925 0.393 . . . . 0.0 110.626 178.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -95.63 109.16 3.79 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 176.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.601 HG21 ' HB3' ' A' ' 80' ' ' TRP . 25.6 p -88.21 29.97 0.91 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.024 0.44 . . . . 0.0 111.929 -174.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.18 -133.65 11.97 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.17 178.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.69 -18.42 21.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.089 0.471 . . . . 0.0 110.781 179.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.405 ' OD2' ' HD2' ' A' ' 135' ' ' HIS . 12.3 t70 -99.17 162.25 13.16 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -178.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.1 t -108.94 107.95 24.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 120.837 0.351 . . . . 0.0 111.429 -175.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.601 ' HB3' HG21 ' A' ' 75' ' ' THR . 88.2 t90 -105.02 112.88 26.17 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 174.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 7.8 tp -87.08 134.64 27.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.716 -178.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.425 ' HA ' ' HD3' ' A' ' 83' ' ' PRO . . . -68.15 123.85 88.3 Favored Pre-proline 0 C--O 1.236 0.388 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.452 178.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 82' ' ' ALA . 33.1 Cg_exo -58.2 156.34 30.43 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 123.175 2.583 . . . . 0.0 112.392 -178.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.505 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 40.8 ttm180 -62.72 -45.66 91.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.973 -177.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -56.77 -41.58 77.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.917 0.389 . . . . 0.0 110.854 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.7 tp -67.31 -45.04 77.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.341 177.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.3 ttm180 -61.5 -40.18 93.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.472 -179.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 84' ' ' ARG . 33.5 mm-40 -59.34 -45.68 90.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.818 0.342 . . . . 0.0 110.482 177.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.27 96.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.865 178.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 66.4 mt -62.19 -46.9 86.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.305 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 91' ' ' ARG . 37.5 ttp-105 -67.52 -21.4 65.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.052 0.454 . . . . 0.0 110.491 -177.424 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -70.09 -19.25 75.42 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.845 175.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.401 ' O ' ' HB3' ' A' ' 94' ' ' ASN . 3.0 t -110.32 17.58 7.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 178.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.401 ' HB3' ' O ' ' A' ' 93' ' ' VAL . 8.4 t30 77.69 -11.45 1.2 Allowed 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.935 176.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 48.2 t -65.21 110.76 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.99 0.424 . . . . 0.0 111.557 -175.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 37.7 t -90.65 93.48 4.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.773 176.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.489 HD11 HG23 ' A' ' 73' ' ' VAL . 31.4 tp -102.64 126.64 49.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.245 0.545 . . . . 0.0 112.044 -176.224 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -126.94 135.07 50.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.58 172.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.614 HG22 ' HB ' ' A' ' 73' ' ' VAL . 33.1 p -108.96 142.04 40.18 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.784 0.326 . . . . 0.0 110.947 -177.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -162.26 -174.38 4.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.907 178.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -66.29 151.25 47.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.462 176.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.472 ' O ' HG13 ' A' ' 106' ' ' ILE . 17.5 m -63.36 -29.8 71.05 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.474 -177.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -57.24 -67.11 2.38 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 121.173 -0.537 . . . . 0.0 112.83 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -58.35 -28.27 84.21 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.83 2.353 . . . . 0.0 112.51 175.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.78 -49.44 72.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.845 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 102' ' ' THR . 79.2 mt -58.68 -43.96 88.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.524 178.189 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 69.8 mtt85 -57.52 -53.57 56.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.339 178.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.8 m -63.49 -43.62 96.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.66 -177.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -63.49 -47.76 80.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.999 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -53.76 -48.38 69.78 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.348 0.405 . . . . 0.0 111.549 -177.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 70.3 mt -69.66 -47.86 68.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.1 0.476 . . . . 0.0 110.753 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 12.6 tpt -64.49 -42.64 95.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.676 -175.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.782 ' HA ' ' HA ' ' A' ' 117' ' ' ARG . 10.1 tp -68.24 -28.57 41.3 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-O 121.031 0.443 . . . . 0.0 110.631 -177.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -77.69 -43.02 15.85 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.455 -0.879 . . . . 0.0 111.71 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -74.42 -60.27 2.35 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -176.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.59 ' O ' ' HG2' ' A' ' 117' ' ' ARG . 47.7 mtt180 -121.49 -17.16 7.63 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.176 0.435 . . . . 0.0 112.176 -172.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.782 ' HA ' ' HA ' ' A' ' 113' ' ' ILE . 2.2 ptp180 45.55 36.54 2.58 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.717 0.807 . . . . 0.0 112.196 -179.181 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -94.55 23.79 5.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.466 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 14.4 p -133.67 149.58 31.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.036 -171.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -124.19 142.05 51.55 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 172.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.462 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -117.08 120.1 37.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.091 0.472 . . . . 0.0 112.08 -174.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.561 ' HB3' HG22 ' A' ' 73' ' ' VAL . . . -105.3 97.19 7.07 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 172.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 87.9 mt -105.8 128.57 53.81 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.417 -171.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.467 HG21 ' HD3' ' A' ' 50' ' ' PRO . 35.6 mt -102.74 144.35 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.41 175.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -72.65 156.96 38.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.938 0.399 . . . . 0.0 110.893 178.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.463 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . 17.8 m -74.01 137.64 76.06 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.8 178.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 126' ' ' VAL . 31.4 Cg_exo -61.78 134.4 50.18 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.891 2.394 . . . . 0.0 112.147 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.841 HD11 ' HA3' ' A' ' 22' ' ' GLY . 5.4 mp -87.51 -53.69 4.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.168 0.509 . . . . 0.0 110.51 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -79.87 91.28 5.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.336 -175.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -78.53 87.82 4.49 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 168.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.405 ' C ' ' H ' ' A' ' 133' ' ' HIS . 6.0 t-160 -80.82 36.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.598 -169.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 73.99 -31.27 0.22 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.446 0.698 . . . . 0.0 112.019 174.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.405 ' H ' ' C ' ' A' ' 131' ' ' HIS . 7.8 t-80 -77.43 147.8 35.78 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -179.171 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -90.2 150.76 21.85 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.405 ' HD2' ' OD2' ' A' ' 78' ' ' ASP . 80.1 t60 . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.553 -0.737 . . . . 0.0 109.493 174.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.68 150.98 48.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.978 -178.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -100.46 -27.82 13.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.277 176.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 4' ' ' ARG . 16.3 ptt180 -153.92 93.48 1.65 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.799 177.027 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 t -160.69 108.9 1.6 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.651 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -139.32 96.72 3.15 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.797 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.417 ' HA ' ' HD2' ' A' ' 8' ' ' PRO . 46.3 mm 62.86 88.98 0.11 Allowed Pre-proline 0 C--O 1.234 0.27 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.746 -177.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 7' ' ' ILE . 17.9 Cg_endo -61.15 -35.8 84.21 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.75 2.3 . . . . 0.0 112.295 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 -163.21 149.13 11.84 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 176.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -74.0 115.0 38.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 176.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.44 ' HA ' ' O ' ' A' ' 40' ' ' ASP . 71.7 Cg_endo -87.59 89.37 0.56 Allowed 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.87 2.38 . . . . 0.0 113.625 -173.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 12' ' ' ARG . 33.0 ttp-105 63.57 104.43 0.03 OUTLIER 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.796 170.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.4 m -90.0 103.3 15.98 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 171.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.9 -45.59 10.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.917 0.389 . . . . 0.0 111.402 -175.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -96.42 102.68 14.5 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.603 -179.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.428 ' HB ' ' CG2' ' A' ' 106' ' ' ILE . 45.0 mt -99.8 140.94 17.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -99.89 -167.45 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.386 -176.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.63 147.93 5.93 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -178.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -133.42 157.79 44.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.991 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.96 -83.13 0.32 Allowed Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.217 177.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.475 ' HA ' ' HD3' ' A' ' 21' ' ' LYS . 26.1 mmtp -73.44 106.36 5.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.235 0.54 . . . . 0.0 110.792 -179.114 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.59 -3.29 71.38 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.874 -177.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.44 ' HA3' ' O ' ' A' ' 32' ' ' GLN . . . 99.77 -126.56 8.96 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.896 -0.668 . . . . 0.0 111.762 -178.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -99.01 124.36 43.94 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 176.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -125.07 103.6 8.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.483 -174.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -142.57 177.22 8.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.48 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.04 97.18 3.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.311 0.577 . . . . 0.0 111.195 -176.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 154.09 -74.24 0.24 Allowed Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 58.5 mtt -140.77 141.79 34.79 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 173.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.8 m -132.65 113.13 12.65 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.68 -178.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 175.06 171.39 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.134 -176.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.44 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 32.1 mt-30 71.71 149.33 0.09 Allowed 'General case' 0 N--CA 1.467 0.421 0 O-C-N 124.096 0.872 . . . . 0.0 112.124 174.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.6 1.63 69.22 Favored Glycine 0 N--CA 1.445 -0.717 0 CA-C-N 115.454 -0.794 . . . . 0.0 112.457 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.572 ' HB2' ' O ' ' A' ' 45' ' ' TRP . 49.3 m -156.29 148.23 23.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.951 0.405 . . . . 0.0 110.483 178.116 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 82.3 mt -139.76 142.09 36.79 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.939 176.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.3 tt -105.42 105.07 14.94 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.552 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 99.2 m-85 -96.3 111.33 23.44 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.061 -177.254 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.558 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 94.3 mt -89.74 163.64 31.96 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 171.198 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.558 ' HD2' ' HB3' ' A' ' 38' ' ' LEU . 33.3 Cg_endo -65.48 11.9 0.13 Allowed 'Trans proline' 0 CA--C 1.535 0.572 0 C-N-CA 122.679 2.253 . . . . 0.0 114.286 -177.576 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.44 ' O ' ' HA ' ' A' ' 11' ' ' PRO . 14.4 t70 -162.54 -40.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.882 0.372 . . . . 0.0 110.859 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.428 ' O ' ' HB2' ' A' ' 38' ' ' LEU . . . -106.81 135.65 47.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.828 0.347 . . . . 0.0 111.439 -177.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.6 t -102.22 127.29 55.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.246 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 65.3 m95 -120.03 145.3 46.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.949 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -83.75 131.89 10.71 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 176.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.572 ' O ' ' HB2' ' A' ' 34' ' ' SER . 0.8 OUTLIER -119.95 104.59 10.29 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -174.31 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -78.93 84.73 4.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.292 0.567 . . . . 0.0 110.818 -177.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.466 HG13 ' HB3' ' A' ' 52' ' ' GLN . 92.7 t -134.62 143.7 36.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.436 179.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.8 m -130.87 -5.55 4.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.338 0.589 . . . . 0.0 110.694 177.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -136.18 137.06 23.72 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.227 -178.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -62.66 -19.69 68.81 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.3 2.0 . . . . 0.0 110.948 173.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -72.22 -12.81 61.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.828 178.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.466 ' HB3' HG13 ' A' ' 47' ' ' VAL . 39.5 tt0 -91.71 19.37 6.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.002 -173.221 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 64.3 mt -102.28 103.52 15.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.239 0.543 . . . . 0.0 111.707 -176.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -121.87 178.09 5.02 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 174.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -64.51 -25.54 68.04 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 176.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -65.41 -40.65 93.65 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.0 174.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.5 m -69.33 -33.08 72.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.116 178.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 87.5 mt -94.93 27.22 3.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.661 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -54.18 -41.73 68.86 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.41 -177.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -66.92 -36.39 82.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.847 0.356 . . . . 0.0 110.851 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.518 HG11 HD22 ' A' ' 71' ' ' LEU . 61.4 t -68.93 -42.64 82.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.006 -176.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -70.74 -20.13 62.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.762 0.315 . . . . 0.0 111.389 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -84.43 -51.31 7.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.047 0.451 . . . . 0.0 110.491 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -90.22 25.8 2.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.535 -179.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.68 -37.38 68.23 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -173.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -57.96 -39.64 78.63 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.056 0.455 . . . . 0.0 110.611 -178.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.77 -11.72 55.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.714 -175.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.8 mt -103.28 108.67 24.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.963 0.411 . . . . 0.0 110.802 -178.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -92.69 -43.2 9.2 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.284 0.564 . . . . 0.0 109.808 177.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.6 m -120.27 126.73 51.31 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.75 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.518 HD22 HG11 ' A' ' 61' ' ' VAL . 61.3 tp -111.92 105.13 13.48 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.875 178.25 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 61.0 mt -95.02 119.41 43.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.08 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.3 t -111.81 117.78 56.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.506 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.556 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -93.99 107.92 3.6 Favored Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 176.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 22.2 p -89.06 30.2 0.97 Allowed 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -173.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.46 -74.66 2.49 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.422 178.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -137.75 -68.75 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.872 0.368 . . . . 0.0 110.68 -178.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -81.62 137.0 35.53 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.105 179.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.682 HG13 ' HB ' ' A' ' 99' ' ' THR . 87.4 t -74.34 122.52 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.083 0.468 . . . . 0.0 110.837 -178.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 77.6 t90 -98.58 128.53 44.93 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.903 178.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 64.3 mt -91.41 116.88 33.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.401 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.01 155.66 71.53 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.222 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.458 ' HD2' HD23 ' A' ' 86' ' ' LEU . 85.2 Cg_exo -49.07 141.78 21.92 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.926 2.417 . . . . 0.0 112.344 177.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 75.8 mtt85 -50.03 -50.23 48.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.488 -175.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -77.5 -21.4 52.83 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.519 -176.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.458 HD23 ' HD2' ' A' ' 83' ' ' PRO . 55.1 tp -75.64 -39.83 57.15 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 175.178 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -59.76 -47.84 84.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.757 174.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.41 -41.33 98.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.735 178.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.484 ' O ' HG23 ' A' ' 93' ' ' VAL . . . -56.53 -49.2 75.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.85 -53.55 56.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.388 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -65.0 -26.67 68.39 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.707 0.289 . . . . 0.0 111.544 -177.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.89 -29.32 75.03 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.815 176.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 89' ' ' ALA . 5.6 t -94.68 16.51 1.86 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-O 121.145 0.498 . . . . 0.0 109.823 179.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.469 ' HB3' ' O ' ' A' ' 93' ' ' VAL . 8.8 t30 80.12 -13.49 0.94 Allowed 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.428 177.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 43.1 t -68.6 105.55 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.136 0.493 . . . . 0.0 110.958 -178.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 66.3 t -76.74 113.2 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.625 179.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 63.6 tp -80.02 116.84 20.38 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.643 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -118.68 112.34 19.68 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.305 178.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.682 ' HB ' HG13 ' A' ' 79' ' ' VAL . 7.6 p -97.55 118.17 33.45 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.518 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.556 ' O ' ' HA2' ' A' ' 74' ' ' GLY . 49.2 tpp -141.46 163.45 32.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.339 -173.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -65.4 140.64 58.66 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 171.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.54 ' O ' HG13 ' A' ' 106' ' ' ILE . 19.9 m -55.04 -45.4 75.21 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -172.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -54.17 -68.27 1.74 Allowed Glycine 0 CA--C 1.525 0.671 0 C-N-CA 121.269 -0.491 . . . . 0.0 113.48 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.19 -36.16 84.92 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.509 2.139 . . . . 0.0 112.277 176.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.76 -39.83 90.21 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 120.768 0.318 . . . . 0.0 111.064 178.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.54 HG13 ' O ' ' A' ' 102' ' ' THR . 76.5 mt -58.31 -45.67 89.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.281 176.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -67.71 -40.63 84.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.8 m -57.87 -46.44 84.85 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.2 0.524 . . . . 0.0 110.047 176.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -62.16 -46.73 87.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.814 177.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -53.07 -45.52 68.17 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.712 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 66.4 mt -71.02 -48.81 53.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.828 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 46.2 tpp -65.87 -36.38 83.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.95 -174.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.417 HD11 ' HA ' ' A' ' 39' ' ' PRO . 11.2 tp -67.43 -24.65 31.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.775 0.321 . . . . 0.0 111.123 -176.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -96.13 -16.79 36.84 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.104 178.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -88.48 -63.75 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.95 0.405 . . . . 0.0 111.071 -177.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.449 ' O ' ' HB2' ' A' ' 117' ' ' ARG . 15.6 ttm180 -128.27 -22.03 3.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.062 -172.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' A' ' 116' ' ' ARG . 84.0 mtt85 66.05 -142.78 0.18 Allowed 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 -171.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 63.72 21.57 12.74 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.259 0.552 . . . . 0.0 110.756 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 9.3 p -126.73 140.15 49.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.554 -175.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -121.91 137.47 54.77 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.345 174.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.552 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -113.36 110.39 20.26 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.076 0.465 . . . . 0.0 111.337 -176.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -97.25 95.09 7.48 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 173.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 96.0 mt -104.76 120.91 42.48 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.562 -171.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 55.3 mt -109.26 142.83 20.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.455 176.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -92.53 177.8 6.01 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 176.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.424 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . 30.5 m -72.69 140.71 81.65 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 178.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 126' ' ' VAL . 23.4 Cg_exo -64.41 86.49 0.16 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.05 2.5 . . . . 0.0 112.35 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 62.1 tp -73.72 -41.93 61.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.159 -178.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -96.96 -179.4 4.54 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.226 0.536 . . . . 0.0 111.279 -176.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -137.17 106.22 5.98 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.791 -178.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -128.14 98.92 5.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.109 -176.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -80.89 70.59 7.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.327 0.584 . . . . 0.0 109.964 172.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -76.8 -45.58 28.24 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.381 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -143.08 -37.39 0.36 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.695 178.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 . . . . . 0 C--O 1.245 0.82 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -179.744 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.7 108.64 19.09 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.038 0.446 . . . . 0.0 112.109 -173.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -117.74 166.74 12.08 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 171.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -74.94 84.78 2.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.383 0.611 . . . . 0.0 109.429 173.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.7 t -145.8 145.33 30.75 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.795 -177.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -89.64 -6.23 56.38 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.198 0.523 . . . . 0.0 110.02 178.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.2 mt -128.36 94.26 36.28 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.606 176.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -92.16 29.89 0.33 Allowed 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 123.183 2.588 . . . . 0.0 112.591 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -167.63 -171.62 1.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.847 -176.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -58.93 144.69 81.43 Favored Pre-proline 0 C--N 1.33 -0.279 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 174.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.1 33.65 0.21 Allowed 'Trans proline' 0 N--CA 1.478 0.606 0 C-N-CA 123.383 2.722 . . . . 0.0 114.115 -173.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 54.23 40.3 31.57 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.4 0.619 . . . . 0.0 110.675 177.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.0 t -90.2 143.36 26.84 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.594 -178.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.38 5.17 9.66 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.573 176.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.57 107.14 19.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.973 -178.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.514 HD12 HG23 ' A' ' 106' ' ' ILE . 68.2 mt -76.89 108.0 9.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 173.244 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.566 ' HB3' ' HA ' ' A' ' 26' ' ' PHE . 16.0 t70 -63.99 -60.63 3.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.282 -172.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.413 ' HB3' ' HD2' ' A' ' 25' ' ' TYR . . . -145.62 159.1 43.64 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 -178.472 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.473 ' OH ' HG22 ' A' ' 126' ' ' VAL . 75.7 t80 -114.3 115.29 27.16 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 175.1 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.89 -170.8 16.06 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.476 -0.868 . . . . 0.0 112.471 -175.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.482 ' HE2' HD22 ' A' ' 128' ' ' LEU . 53.5 tttm -89.46 119.8 30.22 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.76 -14.39 29.43 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.688 -176.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 152.25 -171.84 31.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.792 177.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -76.23 157.42 32.64 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.784 0.326 . . . . 0.0 110.781 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.413 ' HD2' ' HB3' ' A' ' 18' ' ' ALA . 86.9 t80 -137.36 131.66 32.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.986 -178.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.566 ' HA ' ' HB3' ' A' ' 17' ' ' ASP . 42.9 p90 -142.49 177.22 8.43 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 171.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.77 103.89 0.3 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.948 0.404 . . . . 0.0 111.19 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 121.18 -99.72 0.71 Allowed Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.246 179.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 26.8 ttt -89.47 152.47 21.44 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.698 0.285 . . . . 0.0 110.485 -176.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.7 p -158.56 -171.79 3.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.133 -177.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 64.4 t60 69.29 24.81 5.79 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 122.133 0.968 . . . . 0.0 109.714 -178.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.735 HE21 HD21 ' A' ' 35' ' ' LEU . 19.6 mt-30 -93.69 106.59 18.55 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.403 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.04 -42.74 7.45 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.917 -0.659 . . . . 0.0 113.198 -174.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.497 ' OG ' ' HB3' ' A' ' 45' ' ' TRP . 22.7 t -114.33 115.8 27.95 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -178.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.735 HD21 HE21 ' A' ' 32' ' ' GLN . 86.7 mt -132.52 137.29 47.11 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.223 0.535 . . . . 0.0 111.699 -176.639 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.485 HD23 ' HD2' ' A' ' 60' ' ' ARG . 56.7 tp -106.25 100.63 10.15 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.404 -0.816 . . . . 0.0 108.87 174.039 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.506 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 90.0 m-85 -83.11 102.68 11.99 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.534 -178.035 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.441 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 80.1 mt -89.3 152.05 47.22 Favored Pre-proline 0 C--N 1.319 -0.723 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 174.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 38' ' ' LEU . 15.0 Cg_exo -69.98 39.17 0.28 Allowed 'Trans proline' 0 CA--C 1.534 0.493 0 C-N-CA 123.368 2.712 . . . . 0.0 113.482 -175.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -170.2 -35.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.93 0.395 . . . . 0.0 110.726 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -146.57 146.74 30.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -178.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 37.7 t -97.58 126.71 50.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.066 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 99.7 m95 -119.59 152.57 36.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.832 0.349 . . . . 0.0 110.961 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -84.38 127.1 7.94 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.499 175.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.497 ' HB3' ' OG ' ' A' ' 34' ' ' SER . 2.3 t90 -93.64 152.04 19.26 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 -177.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -97.89 16.96 19.3 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.624 0.726 . . . . 0.0 111.152 -172.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.565 HG13 ' HB2' ' A' ' 52' ' ' GLN . 90.0 t -114.55 95.6 3.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.302 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.0 m -89.31 -30.39 18.47 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.019 0.438 . . . . 0.0 111.018 -176.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 54.6 mtmt -113.53 133.79 22.11 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 176.037 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 49' ' ' LYS . 31.6 Cg_exo -59.39 174.6 1.01 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.144 2.563 . . . . 0.0 113.155 -178.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 75.95 -7.82 1.73 Allowed 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.004 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.565 ' HB2' HG13 ' A' ' 47' ' ' VAL . 46.9 mt-30 -93.92 23.24 5.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.193 0.52 . . . . 0.0 110.101 175.098 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 59.2 mt -86.78 102.11 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.733 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -132.3 172.73 12.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.322 -175.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.9 mtp85 -53.94 -37.26 63.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.146 176.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -63.49 -44.54 94.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.693 176.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -68.24 -34.1 75.59 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.168 -177.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.4 mt -99.75 15.04 28.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.332 -176.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -60.47 -35.31 75.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.824 0.345 . . . . 0.0 110.888 -176.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.485 ' HD2' HD23 ' A' ' 36' ' ' LEU . 39.6 ttm-85 -66.66 -30.32 70.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.391 178.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.51 HG11 HD22 ' A' ' 71' ' ' LEU . 77.2 t -66.73 -39.23 83.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.017 178.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -64.82 -34.73 79.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.83 176.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -75.37 -44.13 46.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.429 -178.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -92.07 23.52 3.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.68 0.276 . . . . 0.0 111.17 -178.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.05 -23.82 64.05 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -176.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -76.53 -0.99 25.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.71 0.291 . . . . 0.0 111.258 -178.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -126.08 5.14 7.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.913 0.387 . . . . 0.0 110.573 177.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.6 mt -119.43 111.81 34.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.084 -176.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.447 ' HB2' ' HE ' ' A' ' 118' ' ' ARG . 23.2 t70 -95.17 -52.26 4.27 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.266 174.138 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.0 m -112.68 133.04 54.91 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.235 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.51 HD22 HG11 ' A' ' 61' ' ' VAL . 64.3 tp -113.75 100.59 8.58 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 177.334 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 65.7 mt -91.64 117.72 35.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.147 -0.478 . . . . 0.0 109.967 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 40.0 t -107.99 115.37 48.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.322 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.568 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -93.06 101.09 2.73 Favored Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 178.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.601 HG21 ' HB3' ' A' ' 80' ' ' TRP . 33.6 p -94.54 40.25 1.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -172.222 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.43 -138.14 15.56 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.522 176.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -101.87 10.24 39.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.982 0.42 . . . . 0.0 110.789 -177.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -131.27 149.27 52.64 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.973 -177.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.8 t -84.95 108.61 17.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.905 0.384 . . . . 0.0 110.517 -179.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.601 ' HB3' HG21 ' A' ' 75' ' ' THR . 80.4 t90 -91.85 120.7 32.79 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 65.6 mt -87.45 117.43 31.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.369 -177.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.63 131.13 80.27 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.503 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -54.09 143.9 60.47 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 123.013 2.475 . . . . 0.0 112.001 178.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.644 ' HG2' HH21 ' A' ' 87' ' ' ARG . 68.3 mtm-85 -62.45 -30.54 71.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.439 -175.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -62.09 -50.43 71.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.022 0.439 . . . . 0.0 110.496 175.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.2 tp -66.49 -42.61 87.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.7 -179.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.644 HH21 ' HG2' ' A' ' 84' ' ' ARG . 63.1 ttp85 -64.66 -45.16 87.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.226 -178.131 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -65.6 -35.3 80.42 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.38 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.578 ' O ' HG23 ' A' ' 93' ' ' VAL . . . -59.92 -52.44 65.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.507 177.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.648 HD12 HD22 ' A' ' 97' ' ' LEU . 97.2 mt -61.44 -39.29 90.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.49 177.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -59.69 -38.9 82.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.411 178.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -69.56 -23.54 76.57 Favored Glycine 0 N--CA 1.452 -0.262 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.402 178.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 89' ' ' ALA . 17.3 t -86.4 7.79 2.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-O 121.464 0.65 . . . . 0.0 109.535 177.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 74.93 13.1 3.41 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.819 178.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 57.8 t -96.72 113.22 30.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.098 178.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.4 t -77.04 103.23 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.927 0.394 . . . . 0.0 110.284 178.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.648 HD22 HD12 ' A' ' 90' ' ' LEU . 68.1 tp -77.89 124.59 28.19 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.836 -178.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -136.8 116.57 13.07 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.843 178.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.45 HG21 ' O ' ' A' ' 80' ' ' TRP . 6.1 m -101.71 138.08 39.17 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.429 -178.2 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.568 ' O ' ' HA2' ' A' ' 74' ' ' GLY . 48.3 ttm -154.57 158.75 40.24 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -176.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -65.53 144.55 56.93 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 174.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.481 ' O ' HG13 ' A' ' 106' ' ' ILE . 22.7 m -53.27 -40.92 65.03 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -172.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.58 -67.29 2.29 Favored Glycine 0 CA--C 1.522 0.503 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.631 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.424 ' HB2' ' SD ' ' A' ' 100' ' ' MET . 35.5 Cg_exo -58.64 -25.93 77.14 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.751 2.301 . . . . 0.0 112.592 176.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.98 -40.68 91.41 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.679 0.275 . . . . 0.0 110.857 177.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.514 HG23 HD12 ' A' ' 16' ' ' ILE . 86.2 mt -61.87 -42.42 94.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.266 0.555 . . . . 0.0 109.603 174.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.416 ' O ' HG13 ' A' ' 111' ' ' ILE . 28.5 tpt180 -57.96 -55.35 36.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.049 177.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.2 p -66.59 -42.11 87.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.753 -176.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.401 ' O ' HG12 ' A' ' 113' ' ' ILE . 61.8 t80 -59.57 -43.56 93.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.751 0.31 . . . . 0.0 110.684 178.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -61.39 -37.59 83.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.597 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 107' ' ' ARG . 75.7 mt -72.2 -40.22 65.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.052 0.453 . . . . 0.0 110.729 178.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.408 ' HA ' ' HB3' ' A' ' 115' ' ' GLU . 51.5 mtt -70.82 -4.2 22.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.238 -177.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 109' ' ' TYR . 44.4 mm -67.68 -56.05 14.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 175.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -77.15 -12.38 84.67 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.806 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.408 ' HB3' ' HA ' ' A' ' 112' ' ' MET . 34.3 tt0 -94.12 -56.57 2.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.834 0.349 . . . . 0.0 111.431 178.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 116' ' ' ARG . 3.4 tpp85 -101.95 -63.76 1.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.871 -170.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 117' ' ' ARG . 12.2 ttp180 62.1 18.48 10.06 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.786 0.803 . . . . 0.0 110.028 -172.197 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.447 ' HE ' ' HB2' ' A' ' 69' ' ' ASP . 36.3 ttt85 -133.47 37.02 3.35 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 176.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 4.8 p -119.73 130.16 74.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 114.505 -1.225 . . . . 0.0 110.317 -177.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -103.54 126.8 50.91 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 177.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.506 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -113.32 109.65 19.06 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.135 0.493 . . . . 0.0 111.391 -176.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -89.06 95.5 10.34 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 173.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 81.7 mt -105.83 117.98 35.41 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.212 -172.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 64.8 mt -104.76 123.91 59.05 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.505 175.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.0 140.84 51.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.207 176.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.473 HG22 ' OH ' ' A' ' 19' ' ' TYR . 34.4 m -64.14 122.82 79.82 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-O 120.911 0.386 . . . . 0.0 111.235 -176.209 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -61.79 108.11 0.6 Allowed 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.574 2.183 . . . . 0.0 111.185 177.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.482 HD22 ' HE2' ' A' ' 21' ' ' LYS . 29.9 tp -58.28 -67.24 0.37 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.069 -179.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.415 ' HB3' ' H ' ' A' ' 130' ' ' HIS . 1.1 tm-20 64.92 -85.78 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.37 0 O-C-N 123.861 0.726 . . . . 0.0 110.654 174.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.415 ' H ' ' HB3' ' A' ' 129' ' ' GLU . 46.0 m80 -136.88 99.91 4.16 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 176.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -104.56 -47.41 4.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.204 -177.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -75.61 6.15 5.16 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -176.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -164.07 131.76 3.42 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 173.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -120.79 -55.6 1.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.9 0.381 . . . . 0.0 110.323 178.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 46.6 m80 . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.599 -0.715 . . . . 0.0 110.069 -179.904 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.63 141.76 32.26 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.922 0.392 . . . . 0.0 110.887 177.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -79.94 149.09 30.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.287 177.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.407 ' HA ' ' HD3' ' A' ' 4' ' ' ARG . 5.6 mmt180 59.37 82.24 0.15 Allowed 'General case' 0 C--O 1.234 0.285 0 O-C-N 123.789 0.68 . . . . 0.0 111.357 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m -76.48 118.04 18.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.535 178.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -60.36 -56.67 18.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.453 -175.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.1 mt -113.16 105.43 55.49 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.734 -177.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -74.41 99.73 1.24 Allowed 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.836 2.357 . . . . 0.0 111.719 177.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -157.64 -173.61 4.47 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.415 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -67.5 145.22 98.26 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 171.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -72.71 16.82 0.39 Allowed 'Trans proline' 0 N--CA 1.473 0.316 0 C-N-CA 122.907 2.405 . . . . 0.0 113.862 -172.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.1 ttt85 57.25 80.38 0.16 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.743 0.783 . . . . 0.0 109.96 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.7 m -90.18 112.42 23.91 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.251 -171.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.433 ' HB1' HG21 ' A' ' 113' ' ' ILE . . . -94.39 -4.98 47.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.217 -179.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -151.45 126.99 10.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.965 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.549 ' H ' HD12 ' A' ' 16' ' ' ILE . 3.8 mp -64.06 132.51 29.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 176.145 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -81.15 -41.0 23.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.608 0.242 . . . . 0.0 110.859 -174.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.41 ' HB3' ' HD2' ' A' ' 25' ' ' TYR . . . -165.02 174.17 10.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.72 177.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -137.0 123.42 20.78 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 176.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.58 135.45 7.86 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.272 -0.966 . . . . 0.0 112.864 -175.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm 64.9 -90.87 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 123.277 0.631 . . . . 0.0 110.404 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -150.05 37.77 0.93 Allowed Glycine 0 N--CA 1.445 -0.761 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.587 ' HA3' ' HG2' ' A' ' 32' ' ' GLN . . . -151.97 158.6 27.88 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.957 -0.64 . . . . 0.0 111.874 -179.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -91.5 144.32 25.68 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.996 0.427 . . . . 0.0 110.186 -177.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.41 ' HD2' ' HB3' ' A' ' 18' ' ' ALA . 55.9 t80 -121.4 131.91 54.45 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.009 179.521 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -134.15 177.18 7.94 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.53 178.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.22 98.76 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.436 0.46 . . . . 0.0 110.936 178.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 137.61 -75.64 0.38 Allowed Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.272 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 24.1 ttt -147.84 158.48 44.05 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 -176.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.1 t -97.89 151.9 19.77 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 177.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -143.83 128.0 17.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.93 0.395 . . . . 0.0 110.819 176.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.587 ' HG2' ' HA3' ' A' ' 23' ' ' GLY . 52.8 mt-30 -91.27 162.99 14.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.765 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.39 -99.62 1.88 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.376 178.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.5 t -152.91 143.47 22.68 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -178.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 90.7 mt -126.84 137.85 53.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.793 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.659 ' HG ' ' HB2' ' A' ' 45' ' ' TRP . 91.6 mt -101.53 107.45 18.74 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.321 179.452 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.541 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 87.2 m-85 -89.0 99.58 12.54 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.633 177.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.2 mt -98.22 162.11 23.13 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.212 -178.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.84 -15.2 36.66 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.87 2.38 . . . . 0.0 113.074 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -95.7 -58.24 2.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.985 0.421 . . . . 0.0 110.525 178.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -157.72 -179.59 8.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.668 -177.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.6 t -100.65 130.16 50.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.346 -179.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -123.36 178.03 5.34 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.279 178.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -103.38 144.25 15.93 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.615 -0.802 . . . . 0.0 111.896 179.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.659 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 4.0 t90 -111.83 132.91 54.38 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -81.21 4.42 20.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.912 0.863 . . . . 0.0 111.391 -173.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.488 HG21 ' HB3' ' A' ' 57' ' ' SER . 58.2 t -93.99 88.8 2.43 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.231 176.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.4 p -82.78 -7.69 59.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.987 -173.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.442 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 98.1 mttt -135.9 139.43 30.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.462 -178.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.499 ' O ' ' HB3' ' A' ' 51' ' ' GLU . 21.1 Cg_exo -65.45 177.82 2.47 Favored 'Trans proline' 0 C--O 1.237 0.457 0 C-N-CA 122.847 2.365 . . . . 0.0 111.943 177.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.565 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 31.3 tt0 75.18 -44.15 0.53 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.199 0.599 . . . . 0.0 111.819 179.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -78.82 33.89 0.22 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.072 0.463 . . . . 0.0 111.56 -176.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 62.5 mt -103.06 118.86 50.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.181 -178.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -137.56 -170.94 2.86 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 178.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -56.28 -40.73 74.73 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.154 0.502 . . . . 0.0 110.826 178.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -63.47 -37.18 86.3 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.869 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.488 ' HB3' HG21 ' A' ' 47' ' ' VAL . 2.5 m -71.41 -34.65 70.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.385 0.612 . . . . 0.0 110.02 178.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.1 mt -94.58 15.47 17.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.073 -178.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -58.07 -40.34 80.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.049 0.452 . . . . 0.0 110.537 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -66.5 -27.58 67.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.187 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.8 t -79.8 -43.26 22.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.526 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -57.95 -34.9 70.41 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.591 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -63.83 -42.15 97.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.794 0.331 . . . . 0.0 111.115 179.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -103.27 22.91 13.28 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.444 0.64 . . . . 0.0 110.209 -177.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.86 -17.17 64.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.13 -175.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -85.93 -1.5 57.36 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.754 0.311 . . . . 0.0 111.015 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -119.14 -5.36 10.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.069 0.461 . . . . 0.0 110.592 177.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.8 mt -109.73 107.55 23.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.481 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -79.63 -67.94 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.48 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.459 ' O ' ' HA ' ' A' ' 119' ' ' VAL . 30.1 m -104.52 139.77 38.93 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.954 178.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.8 tp -125.59 105.37 8.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.762 0.315 . . . . 0.0 110.226 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 73.0 mt -92.26 117.28 35.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.162 0.506 . . . . 0.0 110.148 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.8 t -106.41 121.11 58.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.355 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.535 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -96.96 108.65 3.7 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 177.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.596 HG21 ' HB3' ' A' ' 80' ' ' TRP . 34.0 p -86.37 14.35 6.78 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.119 0.485 . . . . 0.0 111.909 -175.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.37 -110.29 3.33 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.843 176.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.95 -63.24 1.29 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.796 0.332 . . . . 0.0 111.337 -175.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -87.44 162.31 17.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.064 -178.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.756 ' HB ' HE22 ' A' ' 101' ' ' GLN . 7.3 p -99.23 121.58 50.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.365 0.602 . . . . 0.0 111.409 -177.207 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.596 ' HB3' HG21 ' A' ' 75' ' ' THR . 58.1 t90 -94.77 122.78 37.73 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.28 174.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 66.9 mt -87.59 106.56 16.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.948 0.404 . . . . 0.0 110.015 -177.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.422 ' HA ' ' HD3' ' A' ' 83' ' ' PRO . . . -57.14 126.02 72.3 Favored Pre-proline 0 C--O 1.235 0.332 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.668 177.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 82' ' ' ALA . 42.9 Cg_exo -57.27 147.04 79.18 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 123.1 2.533 . . . . 0.0 112.482 -177.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 17.3 mtm180 -55.51 -44.0 76.19 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.084 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -57.1 -51.43 69.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.013 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.1 tp -65.49 -40.27 92.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.609 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -65.69 -40.6 92.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.557 -178.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -65.05 -43.18 93.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.635 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.45 -36.04 77.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.065 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.427 ' HB3' ' HB ' ' A' ' 95' ' ' VAL . 91.4 mt -68.84 -48.64 62.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.986 178.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 62.0 mtp180 -71.02 -18.23 62.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.958 -178.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.25 -26.22 70.35 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 174.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.485 ' O ' ' HB2' ' A' ' 94' ' ' ASN . 40.1 t -94.32 -56.45 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 176.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.485 ' HB2' ' O ' ' A' ' 93' ' ' VAL . 0.2 OUTLIER 170.96 -29.39 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.154 -177.495 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.427 ' HB ' ' HB3' ' A' ' 90' ' ' LEU . 57.4 t -63.79 111.79 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -170.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.0 t -93.96 96.6 6.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 173.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.2 tt -80.28 130.56 35.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.428 -178.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -127.05 127.48 44.79 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.467 177.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.497 HG21 ' O ' ' A' ' 80' ' ' TRP . 6.5 m -97.23 124.42 41.31 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.94 -175.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.535 ' O ' ' HA2' ' A' ' 74' ' ' GLY . 87.9 mmm -138.85 167.73 21.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.282 -177.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.756 HE22 ' HB ' ' A' ' 79' ' ' VAL . 16.4 mp0 -84.98 157.75 20.7 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 173.021 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.409 ' O ' HG13 ' A' ' 106' ' ' ILE . 11.8 m -50.74 -45.24 58.66 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -175.205 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -59.93 -67.63 2.06 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 121.172 -0.537 . . . . 0.0 113.057 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -57.42 -27.31 75.38 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.781 2.321 . . . . 0.0 112.997 179.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.68 -50.42 64.97 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.742 -0.208 . . . . 0.0 110.741 177.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 102' ' ' THR . 78.2 mt -61.82 -37.01 77.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 120.968 0.413 . . . . 0.0 110.367 178.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -59.94 -58.44 8.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.483 178.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.1 m -60.76 -37.44 81.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.755 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.527 ' O ' HG12 ' A' ' 113' ' ' ILE . 84.7 t80 -55.42 -55.72 28.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.586 178.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -55.9 -38.67 70.53 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.762 -178.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 72.1 mt -65.05 -51.29 68.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.297 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 89.8 mtp -72.6 -31.9 65.55 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.592 -175.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.67 ' HA ' ' HG2' ' A' ' 117' ' ' ARG . 45.1 mm -72.0 -23.77 22.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.042 0.449 . . . . 0.0 110.456 178.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -68.28 -9.1 56.96 Favored Glycine 0 CA--C 1.52 0.371 0 CA-C-N 115.863 -0.608 . . . . 0.0 113.218 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -121.62 -90.62 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 177.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -103.03 -26.66 12.99 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -167.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.67 ' HG2' ' HA ' ' A' ' 113' ' ' ILE . 31.6 mtm-85 62.01 76.5 0.36 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.091 0.472 . . . . 0.0 111.375 -176.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 23.9 mtp180 -111.83 24.37 12.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.371 0.605 . . . . 0.0 109.807 176.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.459 ' HA ' ' O ' ' A' ' 70' ' ' THR . 7.1 p -136.55 135.05 49.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.083 -174.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -104.09 142.77 33.89 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 172.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.541 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -116.21 124.31 49.95 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.947 0.404 . . . . 0.0 111.578 -175.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -108.66 96.95 6.69 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 174.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.5 mt -101.98 114.37 28.42 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.347 -174.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 49.4 mt -100.03 146.3 9.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.68 177.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -73.17 165.26 25.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.974 0.416 . . . . 0.0 111.169 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 35.0 m -85.94 144.58 39.39 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.2 -178.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.61 108.71 1.09 Allowed 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.821 2.347 . . . . 0.0 111.831 178.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 92.6 mt -85.99 127.6 34.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.424 -175.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -120.93 174.5 6.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.324 172.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -139.12 107.32 5.76 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.198 0.523 . . . . 0.0 110.527 176.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -166.05 80.27 0.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.878 177.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -130.67 56.46 1.77 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.15 178.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.548 ' HB3' ' H ' ' A' ' 134' ' ' HIS . 31.6 m-70 -148.86 -149.96 0.32 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.859 0.361 . . . . 0.0 111.811 -176.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.548 ' H ' ' HB3' ' A' ' 133' ' ' HIS . 20.1 t-160 77.5 -85.26 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.575 1.15 . . . . 0.0 111.798 178.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 . . . . . 0 C--O 1.242 0.707 0 CA-C-O 118.629 -0.701 . . . . 0.0 110.277 -174.136 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.4 mtt . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.38 -82.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -176.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -96.53 5.18 51.32 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -170.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -103.07 -5.56 23.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.074 0.464 . . . . 0.0 110.62 174.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.7 m -101.02 87.28 3.23 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.589 0.709 . . . . 0.0 109.635 176.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -161.72 -53.24 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.926 -1.034 . . . . 0.0 108.934 -176.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.6 mt 67.65 90.35 0.09 OUTLIER Pre-proline 0 CA--C 1.532 0.259 0 CA-C-N 114.871 -1.059 . . . . 0.0 111.409 176.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -88.33 39.78 0.53 Allowed 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 123.035 2.49 . . . . 0.0 110.976 174.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -105.06 101.12 10.69 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.162 -173.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.427 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 91.8 m-85 -99.45 140.23 21.48 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.377 -175.068 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 10' ' ' PHE . 60.5 Cg_endo -91.07 135.79 1.91 Allowed 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 123.243 2.629 . . . . 0.0 111.948 175.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 46.61 85.58 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.375 0.607 . . . . 0.0 111.555 -176.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.49 ' HB ' HG21 ' A' ' 42' ' ' VAL . 27.1 m -122.92 106.51 10.93 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.695 -179.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -113.31 19.38 17.06 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.101 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.49 117.75 31.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.839 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.451 HD12 HG23 ' A' ' 106' ' ' ILE . 62.1 mt -120.24 130.7 74.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.993 178.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -148.09 154.99 40.93 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 -177.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 58.42 91.61 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.952 0.782 . . . . 0.0 112.564 177.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -115.01 128.26 56.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.59 178.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 126.62 -77.82 0.39 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.548 176.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -68.92 99.31 1.04 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.826 0.345 . . . . 0.0 110.36 -178.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.4 18.44 60.48 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.077 -178.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.9 -103.33 2.45 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.133 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -121.52 116.43 24.66 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 178.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -106.48 93.65 4.71 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.242 0.544 . . . . 0.0 110.384 179.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -128.43 115.14 17.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.814 -178.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 63.86 -77.95 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.217 -0.901 . . . . 0.0 112.808 175.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.54 -72.52 0.98 Allowed Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.25 -0.5 . . . . 0.0 113.367 -173.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 23.8 ptp -147.77 172.14 14.58 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 122.742 -0.27 . . . . 0.0 110.924 -175.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.7 m -81.6 108.79 15.46 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 174.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -92.72 103.79 16.13 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.681 -0.407 . . . . 0.0 111.374 -176.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.93 113.94 16.32 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 172.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.592 ' HA2' HG22 ' A' ' 48' ' ' THR . . . 142.26 -176.03 22.43 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.827 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.568 ' HB3' ' O ' ' A' ' 45' ' ' TRP . 27.8 t -92.03 140.68 29.41 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.166 0.507 . . . . 0.0 110.575 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 97.9 mt -115.55 127.36 55.21 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.012 178.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.703 ' HB2' ' HB2' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -101.54 96.15 6.93 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.117 0.484 . . . . 0.0 109.698 -178.879 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.411 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 89.2 m-85 -78.38 93.87 4.78 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.466 177.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.3 mt -76.6 158.53 80.92 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.821 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.476 ' HB3' ' H ' ' A' ' 118' ' ' ARG . 17.3 Cg_exo -69.58 44.18 0.39 Allowed 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 123.286 2.657 . . . . 0.0 113.351 -178.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -168.67 -55.88 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -138.83 164.36 29.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.975 -178.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.49 HG21 ' HB ' ' A' ' 13' ' ' THR . 41.4 t -91.06 118.28 35.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.472 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 37.6 m95 -115.83 176.19 5.2 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.003 0.43 . . . . 0.0 110.692 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -105.76 145.98 16.01 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.9 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.703 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 11.5 t90 -134.23 112.61 11.21 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -83.28 75.25 9.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.279 0.562 . . . . 0.0 111.058 -174.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 85.7 t -138.94 90.44 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 170.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.592 HG22 ' HA2' ' A' ' 33' ' ' GLY . 1.9 p -84.87 -20.4 30.87 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.572 -175.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -121.47 115.55 31.11 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 120.844 0.354 . . . . 0.0 110.161 178.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -58.01 -24.09 63.73 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.763 2.975 . . . . 0.0 114.238 -172.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -67.41 -17.09 64.58 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.775 0.322 . . . . 0.0 111.496 -178.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 41.1 tp60 -97.21 15.16 23.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.09 0.471 . . . . 0.0 111.01 -176.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.447 HG22 HD21 ' A' ' 86' ' ' LEU . 70.3 mt -69.51 122.47 21.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 174.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -149.63 168.69 22.87 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 -176.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' A' ' 55' ' ' ARG . 50.1 mtm180 -57.94 -33.75 69.15 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.761 0.315 . . . . 0.0 110.748 178.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -62.63 -45.07 94.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.689 176.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.4 m -72.01 -30.13 64.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.101 0.477 . . . . 0.0 110.54 179.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.9 mt -86.9 5.01 39.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.411 -178.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -58.07 -34.18 69.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.198 0.523 . . . . 0.0 110.376 179.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -69.36 -20.41 63.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.225 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.1 t -90.88 -45.16 14.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.323 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -55.82 -36.79 67.85 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.203 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -63.08 -26.02 68.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.471 -177.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -119.23 29.37 7.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.896 -176.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.51 -31.23 69.19 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 112.242 -176.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -63.24 -34.42 77.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.186 0.517 . . . . 0.0 111.101 178.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.59 -23.79 23.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.979 -178.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.9 mt -102.07 99.11 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.286 -176.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.489 ' HB2' ' CZ ' ' A' ' 118' ' ' ARG . 6.5 t70 -87.5 -54.58 4.2 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.117 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.6 m -106.47 119.72 40.02 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.606 -178.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.9 tp -112.31 106.81 15.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.319 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 59.6 mt -94.83 125.12 47.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.775 178.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 79.0 t -112.82 130.35 66.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.486 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -111.62 100.62 1.21 Allowed Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.484 -0.646 . . . . 0.0 111.484 177.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.8 p -71.48 -42.47 68.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.029 0.442 . . . . 0.0 111.792 -176.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.22 -59.59 1.38 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.695 -0.764 . . . . 0.0 113.015 175.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.18 -67.64 0.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.911 0.386 . . . . 0.0 110.844 -178.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -150.61 172.49 15.44 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 175.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 44.7 t -73.76 93.41 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.137 0.494 . . . . 0.0 110.345 -179.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 81.2 t90 -88.17 112.43 22.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.734 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 47.7 mt -93.03 116.21 33.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.444 -177.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.29 148.73 95.58 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.238 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.95 152.39 29.6 Favored 'Trans proline' 0 C--O 1.239 0.543 0 C-N-CA 123.009 2.473 . . . . 0.0 112.58 177.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -61.47 -41.6 97.49 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.429 -175.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -51.99 -45.84 64.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.038 0.447 . . . . 0.0 110.807 -178.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.447 HD21 HG22 ' A' ' 53' ' ' ILE . 52.8 tp -73.15 -47.03 47.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.988 -178.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.491 ' HG3' HD23 ' A' ' 97' ' ' LEU . 62.2 ttt180 -66.94 -39.48 87.33 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.059 0.457 . . . . 0.0 111.106 -176.284 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -71.85 -30.97 66.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.536 -178.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.98 -41.61 99.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.948 0.404 . . . . 0.0 110.216 176.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.47 -48.17 78.78 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.931 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 59.5 ttp85 -74.64 -20.94 59.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.698 -177.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -68.35 -23.04 75.0 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.142 -0.552 . . . . 0.0 111.737 175.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 46.4 t -86.33 -80.0 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 173.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -175.45 21.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.354 176.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 47.4 t -110.44 116.29 51.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.869 0.366 . . . . 0.0 110.932 -174.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 65.7 t -87.11 110.39 20.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.198 177.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.491 HD23 ' HG3' ' A' ' 87' ' ' ARG . 48.4 tp -85.71 107.21 17.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.606 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -108.72 101.48 10.6 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.4 m -102.51 119.24 38.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.575 -173.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 70.7 mtm -138.89 -172.37 3.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.747 178.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -81.56 160.58 23.82 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 173.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.431 ' O ' HG13 ' A' ' 106' ' ' ILE . 3.1 m -57.58 -39.46 76.83 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 -175.148 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -53.26 -69.05 1.33 Allowed Glycine 0 CA--C 1.522 0.514 0 C-N-CA 121.228 -0.51 . . . . 0.0 113.031 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -57.71 -32.57 95.0 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.856 2.371 . . . . 0.0 112.646 177.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.64 -48.8 77.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.65 0.262 . . . . 0.0 110.846 178.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.451 HG23 HD12 ' A' ' 16' ' ' ILE . 81.4 mt -57.94 -48.7 83.39 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.135 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.239 177.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 107' ' ' ARG . 42.9 ttt-85 -56.61 -51.2 69.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.027 -179.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.5 m -61.96 -46.18 90.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.169 -178.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -66.95 -45.72 76.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.926 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -57.98 -31.54 67.01 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.049 -176.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 79.5 mt -84.12 -53.09 11.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 177.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.538 ' HA ' ' OE1' ' A' ' 115' ' ' GLU . 38.5 ttp -72.21 -15.99 61.95 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -170.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 11.1 tp -74.61 -17.75 16.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.254 0.55 . . . . 0.0 109.641 174.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -72.24 -18.84 78.32 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.736 177.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.538 ' OE1' ' HA ' ' A' ' 112' ' ' MET . 0.4 OUTLIER -63.73 -69.71 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 175.676 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.544 ' HG3' ' H ' ' A' ' 117' ' ' ARG . 7.3 ptp180 -163.96 -74.35 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 176.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.544 ' H ' ' HG3' ' A' ' 116' ' ' ARG . 15.0 ptm180 178.86 -166.04 0.06 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 117.737 0.244 . . . . 0.0 111.157 -175.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.557 ' HG3' ' O ' ' A' ' 118' ' ' ARG . 0.0 OUTLIER 75.28 15.94 2.78 Favored 'General case' 0 C--O 1.245 0.822 0 CA-C-O 123.161 1.458 . . . . 0.0 110.873 -179.737 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 5.4 p -117.38 132.61 66.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-N 113.419 -1.719 . . . . 0.0 108.757 171.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -118.17 147.53 43.26 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.241 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.411 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -127.62 114.71 17.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.946 0.403 . . . . 0.0 110.99 -178.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -97.04 95.17 7.61 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 174.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 79.4 mt -98.33 107.84 20.4 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.553 -176.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 60.8 mt -90.02 117.76 33.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.238 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.427 ' HB3' ' H ' ' A' ' 33' ' ' GLY . . . -80.77 128.02 33.18 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 172.035 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 15.4 m -64.32 122.74 79.75 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-O 120.939 0.4 . . . . 0.0 110.715 -178.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -64.86 95.88 0.25 Allowed 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.597 2.198 . . . . 0.0 112.265 -177.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 7.2 tt -78.4 89.73 4.4 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 175.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -117.26 -30.45 5.6 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.153 -173.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -126.57 -173.51 2.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.918 0.39 . . . . 0.0 110.325 -178.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -121.35 171.07 9.02 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 176.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -96.72 -38.55 9.86 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.834 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 67.9 t60 70.5 -61.26 0.47 Allowed 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.243 0.617 . . . . 0.0 111.118 178.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 24.4 p80 -145.0 -30.48 0.44 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.821 0.343 . . . . 0.0 110.34 174.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 . . . . . 0 C--O 1.243 0.754 0 CA-C-O 118.507 -0.759 . . . . 0.0 109.839 178.012 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ttt . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 120.783 0.325 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.08 142.08 28.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.903 -177.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.406 HE21 ' HB2' ' A' ' 3' ' ' GLN . 2.1 mp0 -91.09 94.51 9.64 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.015 0.436 . . . . 0.0 110.298 179.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -106.82 101.82 11.23 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 177.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.4 t -102.92 17.25 24.44 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.267 -174.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -112.75 51.12 0.84 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.192 0.52 . . . . 0.0 110.907 -176.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.5 pt -128.67 79.32 74.57 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-O 121.203 0.525 . . . . 0.0 111.056 176.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -77.52 -71.23 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.667 2.245 . . . . 0.0 111.273 176.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -147.14 128.86 15.2 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.675 ' HZ ' ' HA3' ' A' ' 28' ' ' GLY . 84.4 m-85 -63.43 111.92 6.06 Favored Pre-proline 0 N--CA 1.465 0.3 0 O-C-N 123.601 0.563 . . . . 0.0 112.137 -173.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -97.38 105.79 0.08 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 123.651 2.901 . . . . 0.0 112.069 176.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 47.0 ttp180 62.6 92.23 0.06 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.406 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.7 m -102.27 144.64 30.52 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 177.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.8 -64.95 1.14 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.776 0.322 . . . . 0.0 111.195 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.9 155.01 16.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.995 0.426 . . . . 0.0 111.187 -176.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.4 mt -119.73 138.16 51.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.763 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.546 ' HB2' ' HA ' ' A' ' 26' ' ' PHE . 55.2 m-20 -64.99 -55.71 17.46 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 123.195 0.309 . . . . 0.0 111.49 -177.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.45 151.01 33.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.716 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -149.18 165.62 31.3 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.95 -102.76 1.42 Allowed Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.896 177.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.11 130.72 42.87 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 176.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.432 ' O ' ' HA ' ' A' ' 31' ' ' HIS . . . 79.53 -4.8 62.77 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.932 -0.652 . . . . 0.0 112.088 -174.355 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.43 -142.6 18.11 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 121.103 -0.57 . . . . 0.0 112.017 -178.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.47 ' HB2' ' HB2' ' A' ' 32' ' ' GLN . 94.0 m-85 -84.35 107.36 16.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.932 0.396 . . . . 0.0 110.289 176.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -113.67 93.65 4.48 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.994 -177.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.546 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 43.0 p90 -134.24 171.37 14.35 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.385 -178.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.4 102.79 0.57 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.059 0.457 . . . . 0.0 110.926 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.675 ' HA3' ' HZ ' ' A' ' 10' ' ' PHE . . . 151.28 -64.55 0.38 Allowed Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.933 -179.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 64.8 mtt -141.55 150.97 42.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.648 0.261 . . . . 0.0 110.434 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.4 p -117.01 158.74 23.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -177.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.432 ' HA ' ' O ' ' A' ' 22' ' ' GLY . 34.3 t60 58.91 78.59 0.25 Allowed 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.658 0.599 . . . . 0.0 111.182 176.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.47 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . 43.0 mt-30 -135.26 136.34 41.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.04 -179.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.36 -42.22 1.65 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.858 -175.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.446 ' HB3' ' HB3' ' A' ' 45' ' ' TRP . 10.7 m -132.58 118.17 18.87 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.671 0.272 . . . . 0.0 110.817 -176.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 92.8 mt -126.67 136.04 51.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.985 0.421 . . . . 0.0 111.001 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.486 ' HG ' ' HB2' ' A' ' 45' ' ' TRP . 97.9 mt -101.87 101.66 12.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.789 177.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.475 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 90.1 m-85 -85.48 104.65 15.46 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.194 -179.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.0 mt -102.63 156.85 34.76 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.7 177.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -53.4 -26.94 37.49 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.113 2.542 . . . . 0.0 113.392 -177.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -95.46 -56.81 2.58 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.674 0.273 . . . . 0.0 111.487 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -147.02 169.61 18.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.803 0.335 . . . . 0.0 111.278 -175.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.7 t -103.56 132.3 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.725 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.459 ' HB3' HH11 ' A' ' 60' ' ' ARG . 76.7 m95 -113.87 164.51 13.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.276 178.109 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -98.15 134.33 11.68 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.535 177.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.486 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . 4.3 t90 -102.63 144.87 30.48 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 -177.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -100.71 15.92 26.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.764 0.792 . . . . 0.0 110.65 -175.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.1 t -120.14 101.67 11.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.823 178.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.0 m -107.77 12.99 26.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.542 0.687 . . . . 0.0 110.86 -176.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.1 mttp -139.76 143.16 33.78 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.63 176.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.406 ' O ' ' HB2' ' A' ' 51' ' ' GLU . 33.4 Cg_endo -64.78 174.85 4.15 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.647 2.231 . . . . 0.0 111.33 175.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 50' ' ' PRO . 35.7 mt-10 74.09 -37.44 0.37 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.05 0.54 . . . . 0.0 111.496 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -74.61 -15.38 60.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.148 0.499 . . . . 0.0 110.589 178.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 54.3 mt -69.66 114.95 7.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.75 -179.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.94 -177.63 5.53 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.418 ' HG3' ' CE2' ' A' ' 62' ' ' PHE . 19.9 ttt180 -62.89 -38.13 89.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.533 0.206 . . . . 0.0 111.128 -179.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -64.07 -43.04 96.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.99 0.424 . . . . 0.0 110.7 -177.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.5 p -77.09 -13.61 59.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.207 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 86.6 mt -104.99 10.91 33.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.679 178.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -60.59 -29.04 68.95 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -178.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.459 HH11 ' HB3' ' A' ' 43' ' ' TRP . 32.8 ttm180 -69.63 -28.19 65.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.116 0.484 . . . . 0.0 109.813 176.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 63.5 t -78.04 -42.67 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.897 178.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.418 ' CE2' ' HG3' ' A' ' 55' ' ' ARG . 60.5 m-85 -62.89 -32.46 73.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 176.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -69.6 -33.89 73.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.051 0.453 . . . . 0.0 110.799 178.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -103.73 17.8 23.32 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.899 -178.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.34 -21.78 65.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.548 -176.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -59.4 -27.06 65.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.802 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -101.95 3.99 39.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.3 mt -116.57 110.17 30.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.239 0.542 . . . . 0.0 110.942 -176.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -98.44 -46.16 5.87 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.277 173.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.9 m -116.76 133.79 55.58 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.913 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 64.5 tp -123.87 111.32 15.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.974 0.416 . . . . 0.0 110.496 -179.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 66.6 mt -97.35 126.15 50.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.531 178.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.53 HG22 ' HB3' ' A' ' 122' ' ' ALA . 93.4 t -120.26 122.23 67.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.985 0.422 . . . . 0.0 110.996 -177.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -103.0 102.91 2.31 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 175.218 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.57 HG21 ' HB3' ' A' ' 80' ' ' TRP . 7.3 p -87.74 25.13 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -173.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 98.55 -123.7 7.96 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.997 175.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.47 -27.33 22.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.852 0.358 . . . . 0.0 111.308 -175.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -121.86 165.22 16.24 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.276 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.765 HG22 ' HA ' ' A' ' 100' ' ' MET . 58.9 t -94.85 104.12 15.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.118 178.188 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.57 ' HB3' HG21 ' A' ' 75' ' ' THR . 70.2 t90 -80.16 119.97 23.65 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 176.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.6 mm -87.26 115.48 27.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.023 -178.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.9 136.56 95.07 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.717 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -56.22 151.56 42.99 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.855 2.37 . . . . 0.0 112.109 178.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 84' ' ' ARG . 11.2 ttp180 -48.86 -43.6 38.95 Favored 'General case' 0 N--CA 1.463 0.219 0 O-C-N 123.474 0.484 . . . . 0.0 111.557 -178.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -53.98 -50.67 66.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.228 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.2 tp -77.03 -39.68 49.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.754 -177.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -59.73 -47.75 84.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.337 -178.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -73.82 -31.53 63.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.777 -177.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.14 -45.92 89.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.721 0.296 . . . . 0.0 110.718 176.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.74 -46.67 84.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.752 178.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 67.4 ttt-85 -63.64 -35.65 81.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.999 0.428 . . . . 0.0 110.654 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -63.09 -28.25 71.83 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.616 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.7 HG13 HG23 ' A' ' 95' ' ' VAL . 7.2 p -98.29 21.52 1.43 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 CA-C-O 121.526 0.679 . . . . 0.0 109.995 179.06 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.424 ' HB3' ' O ' ' A' ' 93' ' ' VAL . 9.6 t30 79.97 -7.03 1.71 Allowed 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 115.114 -0.948 . . . . 0.0 112.101 172.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.7 HG23 HG13 ' A' ' 93' ' ' VAL . 81.1 t -70.86 105.77 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.236 0.541 . . . . 0.0 110.825 -176.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.1 t -74.8 100.54 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.027 177.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 59.8 tp -79.59 125.95 30.26 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.603 -179.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -128.72 117.5 21.25 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 175.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.1 134.22 55.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.64 -169.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.765 ' HA ' HG22 ' A' ' 79' ' ' VAL . 1.4 pmm? -166.02 -171.58 2.05 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.386 176.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -62.67 150.89 39.74 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.322 174.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.564 ' O ' HG13 ' A' ' 106' ' ' ILE . 6.5 m -55.91 -44.56 78.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.936 -176.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.07 -64.61 4.23 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 121.203 -0.522 . . . . 0.0 113.038 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -51.78 -38.98 68.14 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.691 2.261 . . . . 0.0 112.531 175.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.36 -43.41 92.85 Favored 'General case' 0 C--O 1.232 0.169 0 O-C-N 123.356 0.41 . . . . 0.0 111.338 -179.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.564 HG13 ' O ' ' A' ' 102' ' ' THR . 71.4 mt -61.48 -40.37 86.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.111 0.481 . . . . 0.0 109.974 177.481 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.443 ' HA ' ' HD2' ' A' ' 107' ' ' ARG . 16.6 tpt180 -63.71 -48.1 78.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.925 -177.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.584 ' O ' ' HG2' ' A' ' 112' ' ' MET . 0.1 OUTLIER -63.88 -38.92 92.87 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.618 0.247 . . . . 0.0 111.091 178.292 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.537 ' O ' HG12 ' A' ' 113' ' ' ILE . 44.2 t80 -56.56 -40.73 75.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.571 178.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.404 ' N ' HD22 ' A' ' 110' ' ' ASN . 0.9 OUTLIER -63.91 -41.07 97.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.644 177.773 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 107' ' ' ARG . 58.2 mt -65.33 -46.01 91.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.048 -179.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.584 ' HG2' ' O ' ' A' ' 108' ' ' THR . 97.2 mmm -59.7 -32.33 70.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.855 -175.073 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.537 HG12 ' O ' ' A' ' 109' ' ' TYR . 48.3 mm -54.38 -32.36 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-O 121.007 0.432 . . . . 0.0 111.183 -179.188 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -115.12 39.45 2.77 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.509 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -156.54 -44.62 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.017 0.437 . . . . 0.0 110.937 178.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 116' ' ' ARG . 17.7 ttm-85 -148.03 86.36 1.57 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 177.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -64.05 179.72 0.51 Allowed 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 114.52 -1.218 . . . . 0.0 110.6 175.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 3.3 mpp_? 69.2 29.26 4.69 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.855 0.836 . . . . 0.0 108.891 -169.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 7.1 p -104.18 133.05 49.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.769 178.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -117.26 154.68 30.76 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.913 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.475 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -128.47 114.73 17.15 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.985 0.421 . . . . 0.0 111.336 -178.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.53 ' HB3' HG22 ' A' ' 73' ' ' VAL . . . -95.01 96.52 9.32 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 173.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 94.7 mt -108.28 122.6 47.3 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.14 0.495 . . . . 0.0 111.612 -172.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 57.3 mt -104.59 134.65 45.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.239 -0.891 . . . . 0.0 108.792 172.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.62 143.94 56.77 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.916 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 58.3 t -64.52 122.58 79.28 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.022 178.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -50.7 144.07 27.15 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 123.06 2.507 . . . . 0.0 112.42 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.539 ' HB3' ' O ' ' A' ' 131' ' ' HIS . 7.8 mp -78.79 84.53 4.85 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.143 -179.548 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -83.55 -45.8 13.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.896 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -91.66 -13.3 32.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.423 -174.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.539 ' O ' ' HB3' ' A' ' 128' ' ' LEU . 45.2 m-70 -119.79 85.02 2.3 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 177.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -126.84 96.13 4.54 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.44 0.638 . . . . 0.0 111.594 -176.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 9.3 p80 177.95 29.51 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.745 -1.116 . . . . 0.0 108.546 175.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 33.0 t-80 -96.75 117.78 31.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.714 -170.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 7.1 t60 . . . . . 0 C--O 1.248 1.005 0 CA-C-N 115.333 -0.849 . . . . 0.0 108.724 171.308 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptt? . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 120.656 0.265 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -122.53 -85.98 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 121.218 -0.193 . . . . 0.0 110.538 178.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.418 ' HA ' ' OE1' ' A' ' 3' ' ' GLN . 15.4 mm-40 56.3 36.74 28.0 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.138 0.494 . . . . 0.0 111.206 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -99.38 -22.0 15.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.681 0.753 . . . . 0.0 109.237 178.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.1 t -135.28 110.27 8.82 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 114.803 -1.09 . . . . 0.0 109.644 177.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.84 21.48 17.18 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.961 178.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.6 mt 63.41 91.94 0.07 OUTLIER Pre-proline 0 C--O 1.233 0.229 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.853 -175.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.597 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . 51.5 Cg_exo -54.25 144.82 58.18 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 123.38 2.72 . . . . 0.0 113.143 -173.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -57.85 -40.17 79.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.686 176.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.439 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 98.3 m-85 -129.26 139.82 36.81 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.453 178.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 10' ' ' PHE . 3.0 Cg_exo -76.02 63.47 6.83 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 123.027 2.485 . . . . 0.0 111.911 179.425 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.687 ' HG2' ' HA ' ' A' ' 40' ' ' ASP . 99.9 mtt180 54.76 74.46 0.35 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.46 0.648 . . . . 0.0 110.708 -177.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.8 m -113.66 103.8 11.6 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.892 -176.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -105.86 83.92 1.99 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.692 176.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -151.34 120.97 6.95 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 -177.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.8 mt -103.16 112.46 36.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 176.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.568 ' HB2' ' HA ' ' A' ' 26' ' ' PHE . 23.0 m-20 -80.84 -68.75 0.66 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.437 -176.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.433 ' HB3' ' HB3' ' A' ' 25' ' ' TYR . . . -126.15 144.66 50.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.182 0.515 . . . . 0.0 111.501 -178.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -140.9 136.34 32.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.779 175.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 133.2 -58.67 0.69 Allowed Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.265 175.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.442 ' HE3' ' HB2' ' A' ' 21' ' ' LYS . 36.6 ttmt -84.51 114.15 21.74 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 120.901 0.381 . . . . 0.0 110.415 -178.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.97 48.24 74.53 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.474 -178.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.74 -131.55 10.83 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.784 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -100.52 150.7 22.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.899 0.38 . . . . 0.0 110.773 178.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.566 ' HD1' ' HA ' ' A' ' 30' ' ' SER . 62.3 t80 -142.17 117.89 10.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.788 174.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.568 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 26.6 p90 -142.6 171.99 13.31 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 177.125 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.57 90.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.16 0.505 . . . . 0.0 111.327 178.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 149.46 -43.16 0.78 Allowed Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.959 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.507 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . 24.3 mmt -135.53 127.53 29.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.007 0.432 . . . . 0.0 110.407 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.566 ' HA ' ' HD1' ' A' ' 25' ' ' TYR . 37.3 p -106.47 112.43 25.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.217 -177.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 69.05 90.79 0.09 Allowed 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.888 0.743 . . . . 0.0 112.082 176.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -143.1 138.0 29.55 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.017 173.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.518 ' HA3' HG23 ' A' ' 48' ' ' THR . . . -90.22 1.64 80.15 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.959 -177.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.481 ' HB2' ' HB2' ' A' ' 45' ' ' TRP . 8.5 p -157.33 117.23 3.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.92 0.391 . . . . 0.0 111.492 -178.497 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 97.0 mt -130.58 146.14 52.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.052 -178.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.5 mt -113.08 96.88 6.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.42 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.427 ' HB2' ' HB3' ' A' ' 121' ' ' ALA . 86.4 m-85 -83.82 93.49 7.99 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.024 179.099 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.474 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 82.7 mt -90.63 160.47 38.77 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.644 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -53.15 -31.73 56.32 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.089 2.526 . . . . 0.0 113.919 -176.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.687 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 6.2 m-20 -105.07 -46.8 4.16 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -178.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.597 ' HB2' ' HB3' ' A' ' 8' ' ' PRO . . . -137.96 153.33 49.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.145 0.498 . . . . 0.0 111.748 -175.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.7 t -94.88 122.68 46.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.064 177.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 20.3 m95 -107.76 178.47 4.52 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.92 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -132.03 150.72 19.65 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.215 -0.993 . . . . 0.0 112.847 -176.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.481 ' HB2' ' HB2' ' A' ' 34' ' ' SER . 1.4 m0 -110.7 -166.4 1.08 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -140.31 22.36 2.38 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 171.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.481 ' O ' ' HB3' ' A' ' 34' ' ' SER . 45.2 t -101.6 91.69 2.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 114.639 -1.164 . . . . 0.0 110.163 -175.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.518 HG23 ' HA3' ' A' ' 33' ' ' GLY . 8.5 m -95.68 -14.14 23.68 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.292 0.568 . . . . 0.0 110.753 -177.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.436 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 46.7 mtmt -103.4 125.03 36.14 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.077 177.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 49' ' ' LYS . 34.2 Cg_exo -60.62 173.42 2.14 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 123.172 2.581 . . . . 0.0 112.586 179.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.41 ' HB3' ' O ' ' A' ' 50' ' ' PRO . 44.0 tt0 74.37 -29.51 0.2 Allowed 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.443 0.697 . . . . 0.0 111.83 -179.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -78.05 22.31 0.3 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.958 0.409 . . . . 0.0 111.62 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.1 mt -81.8 78.64 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 175.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -101.62 168.83 9.23 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.858 -177.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 -58.64 -30.51 67.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.978 0.418 . . . . 0.0 110.079 177.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -61.95 -30.33 70.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.064 177.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.7 t -92.06 -24.37 19.19 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.162 0.506 . . . . 0.0 110.053 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.6 mt -86.8 15.1 6.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.576 -177.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.412 ' HA ' ' OE1' ' A' ' 59' ' ' GLN . 13.2 mm-40 -59.88 -38.59 82.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.754 0.311 . . . . 0.0 110.622 179.102 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 60' ' ' ARG . 58.9 mtt85 -69.79 -11.39 60.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.141 177.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.5 t -94.97 -45.84 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.236 178.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -66.6 -34.86 78.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.885 0.374 . . . . 0.0 110.902 178.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -66.7 -25.82 66.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.683 178.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -116.51 27.32 9.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.479 -178.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.58 -26.7 68.81 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.768 -176.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -87.8 5.71 38.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.994 0.426 . . . . 0.0 111.129 179.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -120.02 -0.68 10.53 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.754 178.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 71.7 mt -130.39 128.84 64.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.566 -177.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.495 ' HB3' ' HB2' ' A' ' 118' ' ' ARG . 7.6 t70 -102.11 -57.69 2.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.128 0.49 . . . . 0.0 109.937 176.297 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 43.0 m -112.64 132.08 55.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.276 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.0 tp -117.36 113.47 22.16 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.807 0.337 . . . . 0.0 110.178 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 66.5 mt -96.98 115.72 37.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.925 178.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 89.0 t -100.11 119.82 48.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.528 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.476 ' HA2' ' O ' ' A' ' 100' ' ' MET . . . -91.28 117.16 5.11 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 178.098 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.515 HG21 ' HB3' ' A' ' 80' ' ' TRP . 0.8 OUTLIER -97.48 -1.03 45.03 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.108 0.48 . . . . 0.0 111.716 -177.31 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.418 ' HA2' ' OG1' ' A' ' 102' ' ' THR . . . 79.23 -106.28 2.37 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.961 -0.637 . . . . 0.0 113.834 173.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -85.38 -26.43 26.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -170.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.513 ' O ' ' HB ' ' A' ' 75' ' ' THR . 2.8 m-20 -134.19 131.81 39.03 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.416 -179.49 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.423 ' HB ' ' HG3' ' A' ' 101' ' ' GLN . 6.3 p -80.83 97.38 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 122.084 0.945 . . . . 0.0 110.677 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.541 ' O ' HG21 ' A' ' 99' ' ' THR . 79.4 t90 -79.46 116.07 19.46 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.274 176.062 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 7.9 tp -87.1 123.16 39.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.314 0.578 . . . . 0.0 110.273 -177.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.07 131.0 89.2 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.731 -179.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -75.1 170.93 19.3 Favored 'Trans proline' 0 C--O 1.237 0.472 0 C-N-CA 122.5 2.133 . . . . 0.0 112.598 -178.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.4 ' O ' ' HB2' ' A' ' 88' ' ' GLU . 34.5 mmm-85 -50.11 -44.7 52.25 Favored 'General case' 0 C--O 1.222 -0.395 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.833 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -49.85 -53.84 23.09 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.011 0.434 . . . . 0.0 111.522 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 36.3 tp -72.46 -41.03 66.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.959 -176.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -69.57 -35.11 75.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.688 -176.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.545 ' OE1' ' HD3' ' A' ' 91' ' ' ARG . 3.5 tp10 -66.77 -38.43 86.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.972 178.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.5 -48.07 83.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.071 179.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.587 HD12 HD22 ' A' ' 97' ' ' LEU . 79.2 mt -73.18 -28.53 62.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.111 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.545 ' HD3' ' OE1' ' A' ' 88' ' ' GLU . 29.3 ttt180 -61.69 -36.34 80.61 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.989 0.423 . . . . 0.0 110.108 174.492 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -68.09 -11.94 62.01 Favored Glycine 0 CA--C 1.52 0.366 0 CA-C-N 115.817 -0.629 . . . . 0.0 113.13 -178.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.489 HG23 HG23 ' A' ' 95' ' ' VAL . 16.6 m -119.14 14.01 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 117.01 0.405 . . . . 0.0 111.29 177.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 69.26 22.11 6.81 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 175.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.489 HG23 HG23 ' A' ' 93' ' ' VAL . 96.6 t -95.34 114.77 32.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.047 0.451 . . . . 0.0 110.318 178.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 42.7 t -76.25 106.5 6.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.094 179.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.587 HD22 HD12 ' A' ' 90' ' ' LEU . 65.1 tp -88.46 118.18 27.91 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.359 -177.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -126.47 125.91 42.88 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 174.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.541 HG21 ' O ' ' A' ' 80' ' ' TRP . 5.1 m -104.9 125.92 51.42 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.308 -179.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.476 ' O ' ' HA2' ' A' ' 74' ' ' GLY . 45.8 tpp -139.5 156.59 46.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.748 -174.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.423 ' HG3' ' HB ' ' A' ' 79' ' ' VAL . 44.5 mt-30 -83.2 167.6 17.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.877 177.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.444 ' O ' HG13 ' A' ' 106' ' ' ILE . 7.8 m -44.17 -64.47 0.67 Allowed 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -170.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -52.86 -67.91 1.87 Allowed Glycine 0 C--N 1.333 0.382 0 C-N-CA 121.453 -0.403 . . . . 0.0 113.621 -173.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -56.12 -29.81 76.43 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.722 2.281 . . . . 0.0 112.903 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.0 -48.62 73.3 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.549 0.214 . . . . 0.0 110.928 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 102' ' ' THR . 69.9 mt -59.75 -44.13 93.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.706 -179.17 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 18.8 mtm180 -62.26 -51.53 67.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.585 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 27.0 m -62.49 -41.08 98.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.231 -176.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.403 ' CD1' ' HB2' ' A' ' 121' ' ' ALA . 64.5 t80 -61.17 -53.45 56.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.073 -179.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -57.7 -42.57 84.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.784 0.326 . . . . 0.0 111.376 -177.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 83.0 mt -70.26 -45.07 76.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.002 -178.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.681 ' HB3' HG11 ' A' ' 119' ' ' VAL . 35.0 tpp -66.68 -31.41 72.06 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.951 0.405 . . . . 0.0 110.64 -177.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.9 mm -69.29 -41.85 81.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.29 173.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -60.61 -42.5 99.25 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.274 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -81.69 -3.88 54.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.908 0.385 . . . . 0.0 110.867 178.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 55.29 48.98 18.05 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.003 174.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.56 ' HD3' ' SD ' ' A' ' 112' ' ' MET . 44.7 mtp85 -92.5 33.91 1.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.555 -178.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.495 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 48.7 mtm-85 59.48 47.01 11.53 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.789 171.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.681 HG11 ' HB3' ' A' ' 112' ' ' MET . 10.7 p -106.39 146.9 12.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.895 0.379 . . . . 0.0 111.426 -175.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -130.38 154.33 47.8 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 173.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.427 ' HB3' ' HB2' ' A' ' 37' ' ' PHE . . . -121.84 128.99 52.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.201 0.524 . . . . 0.0 111.91 -176.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -110.89 99.15 8.1 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 173.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 91.0 mt -103.91 120.78 41.73 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.977 0.418 . . . . 0.0 111.651 -171.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 65.1 mt -108.53 139.5 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.425 175.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -102.49 178.07 4.69 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.951 0.405 . . . . 0.0 111.109 -177.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.463 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . 22.7 m -89.77 134.17 32.68 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.699 179.109 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 126' ' ' VAL . 20.8 Cg_exo -65.68 108.25 1.21 Allowed 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.684 2.256 . . . . 0.0 111.658 177.087 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 61.8 tp -80.94 104.31 11.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.682 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 72.32 -67.81 0.25 Allowed 'General case' 0 N--CA 1.464 0.227 0 O-C-N 123.863 0.727 . . . . 0.0 112.089 176.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -153.26 140.98 20.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.057 -174.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -117.83 -27.48 6.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.766 175.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -87.32 77.96 8.84 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.297 0.57 . . . . 0.0 110.662 179.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 -163.87 82.41 0.44 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.134 172.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -158.29 -5.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.656 -178.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 10.6 p80 . . . . . 0 C--O 1.246 0.89 0 CA-C-O 119.439 -0.315 . . . . 0.0 110.551 177.042 . . . . . . . . 0 0 . 1 stop_ save_