data_5kp0_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 5kp0 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.5 p . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 112.878 0.696 . . . . 75.54 112.878 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m -67.52 -34.35 76.92 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 122.596 0.358 . . . . 75.44 111.596 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.9 m -62.08 -51.91 66.03 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.754 0.822 . . . . 73.01 110.333 175.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 79.0 t -60.34 -51.68 70.15 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 O-C-N 124.047 0.842 . . . . 61.34 110.048 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -57.33 -47.17 82.25 Favored 'General case' 0 C--O 1.214 -0.799 0 O-C-N 123.547 0.529 . . . . 75.51 111.324 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -59.16 -55.01 40.42 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 122.924 0.49 . . . . 73.1 110.859 -176.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 65.1 mt -68.29 -42.61 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 123.56 0.744 . . . . 74.54 111.392 -176.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.513 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 7.1 m-80 -64.97 -43.74 91.65 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.555 0.742 . . . . 71.43 110.867 -179.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.584 ' HD3' HG23 ' A' ' 46' ' ' THR . 94.2 mtt180 -66.49 -44.58 82.23 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 118.806 -0.616 . . . . 72.31 110.203 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 35.3 m95 -57.85 -38.21 75.28 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 123.362 0.414 . . . . 74.54 111.075 173.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.415 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 63.9 tt0 -64.83 -42.58 94.84 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 123.682 0.793 . . . . 74.43 109.922 177.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 66.8 mmt-85 -65.62 -42.74 91.19 Favored 'General case' 0 C--O 1.211 -0.924 0 O-C-N 123.433 0.458 . . . . 75.34 110.076 -179.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 10' ' ' ARG . 83.0 mt -64.25 -39.43 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 124.006 0.922 . . . . 74.25 110.458 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.14 -45.33 85.44 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.81 0.844 . . . . 75.12 110.861 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 90.2 mt -71.36 -36.45 71.48 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.649 0.78 . . . . 64.43 110.775 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.2 mt -65.95 -52.9 45.56 Favored 'General case' 0 C--O 1.212 -0.875 0 C-N-CA 123.444 0.698 . . . . 73.31 109.564 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.2 p -62.8 -36.33 82.77 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 123.803 0.689 . . . . 75.52 110.955 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -61.96 -49.91 74.24 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 123.751 0.657 . . . . 73.12 110.517 174.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.4 m -60.4 -47.96 83.83 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 123.825 0.703 . . . . 65.04 110.813 179.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.529 HD13 ' HH2' ' A' 1008 ' ' TRP . 79.4 mt -65.58 -32.5 74.12 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.463 1.105 . . . . 73.41 110.518 -177.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.49 HD22 ' HA ' ' A' ' 74' ' ' ASN . 34.3 tp -64.26 -51.66 62.5 Favored 'General case' 0 C--N 1.352 0.675 0 O-C-N 123.78 0.675 . . . . 73.5 109.844 175.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.532 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 37.4 mm-40 -57.44 -47.77 80.92 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 124.203 0.939 . . . . 72.05 110.427 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.439 HD11 ' HB2' ' A' ' 32' ' ' LEU . 43.2 mt -59.59 -41.5 90.42 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 115.285 -0.87 . . . . 70.25 111.316 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.84 81.7 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.935 0.494 . . . . 64.51 111.005 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -72.16 -27.22 62.45 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.557 0.743 . . . . 60.2 110.917 176.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.532 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 7.4 mmm180 -94.94 -10.02 32.34 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 122.86 0.464 . . . . 74.51 112.032 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.78 11.63 67.81 Favored Glycine 0 C--N 1.345 1.059 0 N-CA-C 114.269 0.468 . . . . 64.2 114.269 178.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -84.37 80.55 9.17 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.614 0.766 . . . . 71.41 110.227 178.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 29.3 m95 -77.21 -19.26 56.93 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 123.729 0.811 . . . . 73.15 111.578 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -59.28 -50.75 72.81 Favored 'General case' 0 C--O 1.245 0.821 0 C-N-CA 125.198 1.399 . . . . 74.33 111.495 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.439 ' HB2' HD11 ' A' ' 24' ' ' LEU . 93.5 mt -74.27 -19.13 60.6 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.212 -0.904 . . . . 74.13 111.282 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.466 ' HA ' HD22 ' A' ' 21' ' ' LEU . 9.9 mp -66.54 -49.29 66.96 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 109.307 -0.627 . . . . 75.52 109.307 169.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.3 -34.61 78.07 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 124.063 0.852 . . . . 65.42 111.676 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -74.13 -56.16 5.24 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.126 0.571 . . . . 70.1 110.979 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.493 ' HB2' HD23 ' A' ' 21' ' ' LEU . 16.5 mt-30 -77.56 -8.3 57.61 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.369 1.068 . . . . 70.35 112.253 -176.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -43.61 -61.16 1.48 Allowed 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.927 1.291 . . . . 71.03 112.288 172.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.5 p -61.83 -33.42 57.77 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 O-C-N 123.935 0.772 . . . . 72.43 110.937 -177.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.5 m -64.18 -46.58 83.38 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.726 0.81 . . . . 75.53 110.885 177.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -68.85 -48.35 63.68 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 114.835 -1.075 . . . . 75.11 110.574 -174.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 80.7 mt -66.67 -38.08 86.09 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 124.14 0.9 . . . . 72.31 110.558 -178.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -58.91 -51.74 68.75 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 123.196 0.599 . . . . 73.13 110.644 174.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.2 m -59.23 -41.32 88.4 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.697 0.799 . . . . 73.33 111.385 -178.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.423 ' O ' HG11 ' A' ' 47' ' ' VAL . 19.8 mt -54.56 -56.53 9.79 Favored 'Isoleucine or valine' 0 C--O 1.252 1.19 0 C-N-CA 124.774 1.23 . . . . 75.12 111.116 174.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 50.6 mt-10 -64.34 -44.25 92.08 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 114.98 -1.009 . . . . 73.14 110.846 -174.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.584 HG23 ' HD3' ' A' ' 10' ' ' ARG . 11.3 t -72.43 -30.79 64.92 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 123.404 0.44 . . . . 73.41 111.964 -173.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.423 HG11 ' O ' ' A' ' 44' ' ' ILE . 5.9 p -73.75 -33.69 38.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 N-CA-C 109.587 -0.523 . . . . 74.12 109.587 174.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.542 ' SD ' ' NZ ' ' A' 1018 ' ' LYS . 41.7 ttm -72.44 -23.73 61.11 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 115.993 -0.549 . . . . 70.13 110.61 179.024 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 9.8 mm-40 . . . . . 0 N--CA 1.483 1.177 0 C-N-CA 122.891 0.476 . . . . 63.23 111.047 170.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 80.7 p . . . . . 0 C--O 1.246 0.885 0 CA-C-O 120.432 0.158 . . . . 73.05 111.002 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -51.94 -68.73 0.15 Allowed 'General case' 0 C--N 1.357 0.913 0 C-N-CA 124.837 1.255 . . . . 72.32 112.913 -172.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.2 m -55.9 -44.69 78.46 Favored 'General case' 0 C--O 1.249 1.071 0 O-C-N 124.342 1.026 . . . . 64.4 112.498 -172.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 62.9 mt -58.78 -53.6 45.2 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 O-C-N 124.163 0.915 . . . . 72.25 109.824 178.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -62.63 -36.61 83.36 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 123.85 0.719 . . . . 75.44 111.371 -176.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -65.68 -50.04 66.37 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 122.724 0.41 . . . . 73.33 111.351 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 75.7 mtm -64.14 -46.16 85.31 Favored 'General case' 0 N--CA 1.485 1.319 0 O-C-N 123.612 0.57 . . . . 74.24 110.713 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.1 t -58.97 -47.7 88.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 124.542 1.137 . . . . 72.44 111.08 178.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.72 -32.88 74.76 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.601 0.76 . . . . 75.11 110.851 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.429 ' O ' ' HG3' ' A' ' 70' ' ' GLN . . . -62.24 -48.01 85.65 Favored Glycine 0 C--N 1.353 1.502 0 O-C-N 123.783 0.677 . . . . 42.12 111.455 172.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -66.29 -29.13 69.29 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.359 0.664 . . . . 74.24 111.633 178.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.4 mt -70.27 -41.61 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 124.009 0.924 . . . . 75.01 109.914 176.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -60.56 -45.24 94.64 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.507 0.323 . . . . 75.42 110.249 174.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 66' ' ' GLY . 74.9 mt-30 -56.48 -59.07 5.52 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 124.655 1.222 . . . . 63.34 110.302 178.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.6 t -68.92 -37.87 79.2 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 112.405 0.52 . . . . 74.15 112.405 -171.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.9 mt -70.81 -34.72 72.02 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 118.081 0.4 . . . . 75.41 111.349 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -72.02 -46.05 58.55 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 122.529 0.332 . . . . 75.54 110.512 176.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.49 ' HA ' HD22 ' A' ' 22' ' ' LEU . 94.2 m-20 -61.9 -44.79 96.08 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.425 0.69 . . . . 63.03 110.536 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.47 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 37.0 tt0 -74.28 -28.15 61.06 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 124.144 0.902 . . . . 74.3 111.068 -178.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -61.54 -51.25 69.37 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-O 121.382 0.61 . . . . 65.32 109.787 172.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.92 -41.27 97.7 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 114.421 -1.263 . . . . 74.45 110.435 178.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.47 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 30.6 mt -57.58 -45.19 85.51 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.971 0.908 . . . . 73.44 111.465 172.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -62.43 -52.34 63.96 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.827 0.851 . . . . 74.14 110.221 -173.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.23 -41.94 91.39 Favored Glycine 0 C--N 1.349 1.268 0 O-C-N 123.899 0.749 . . . . 62.12 113.199 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.4 tt -60.95 -52.62 64.24 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.011 0.924 . . . . 73.4 110.232 -178.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.486 HD13 ' HE1' ' A' 1008 ' ' TRP . 24.3 mt -74.16 -24.84 59.46 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.16 0.984 . . . . 73.03 111.59 -175.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.1 -48.3 74.15 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 109.257 -0.646 . . . . 74.22 109.257 172.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -73.0 -28.38 62.34 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 115.809 -0.632 . . . . 73.51 111.453 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -72.11 -51.21 22.54 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 109.586 -0.524 . . . . 74.44 109.586 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.593 HD13 ' HB3' ' A' 1005 ' ' LEU . 84.4 mt -63.79 -30.47 71.56 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 123.532 0.52 . . . . 64.11 111.265 176.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -56.25 -57.45 12.19 Favored 'General case' 0 C--O 1.244 0.779 0 O-C-N 123.99 0.806 . . . . 74.34 109.641 171.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -60.35 -44.72 95.29 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.438 -0.801 . . . . 74.52 111.475 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 88.1 mt -60.73 -44.33 96.79 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.595 0.758 . . . . 63.45 111.36 -176.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 80.8 p . . . . . 0 N--CA 1.479 0.998 0 C-N-CA 122.661 0.384 . . . . 75.54 110.862 178.021 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 57.9 ttp . . . . . 0 N--CA 1.476 0.829 0 CA-C-O 120.505 0.193 . . . . 72.31 111.0 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 41.2 p -69.76 -51.59 32.7 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 115.801 -0.636 . . . . 72.35 110.923 -175.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 31.1 m -59.17 -43.11 92.12 Favored 'General case' 0 CA--C 1.55 0.956 0 O-C-N 123.595 0.559 . . . . 74.44 111.562 -178.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -60.32 -59.9 4.67 Favored 'General case' 0 C--N 1.358 0.948 0 O-C-N 123.628 0.58 . . . . 73.45 110.557 175.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1005 ' ' LEU . . . . . 0.593 ' HB3' HD13 ' A' ' 86' ' ' LEU . 43.2 mt -66.33 -24.78 66.58 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.282 0.845 . . . . 73.13 113.282 -173.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 41.4 p -76.32 -46.61 26.93 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 118.524 0.602 . . . . 72.13 110.027 175.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 45.6 ttm-85 -59.69 -34.75 73.28 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-O 121.611 0.72 . . . . 74.43 110.046 173.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1008 ' ' TRP . . . . . 0.529 ' HH2' HD13 ' A' ' 21' ' ' LEU . 5.9 t-105 -66.92 -53.24 33.91 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.169 1.388 . . . . 75.2 109.699 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1009 ' ' LEU . . . . . . . . . . . . . 62.9 mt -63.04 -36.42 83.51 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 122.966 0.507 . . . . 74.23 111.706 -178.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 9.6 t -76.16 -27.56 57.02 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 110.494 -0.188 . . . . 71.43 110.494 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -76.51 -27.47 56.02 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.098 0.559 . . . . 75.24 111.111 173.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1012 ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' 1008 ' ' TRP . 30.7 mt -69.88 -50.36 43.19 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 109.136 -0.69 . . . . 74.11 109.136 175.255 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 21.2 t70 -60.19 -36.91 78.7 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 114.741 -1.118 . . . . 73.03 110.566 177.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 7.7 t30 -62.59 -48.57 78.86 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 123.443 0.697 . . . . 72.13 110.813 175.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1015 ' ' PHE . . . . . 0.401 ' CD2' HG23 ' A' ' 44' ' ' ILE . 32.9 t80 -60.19 -56.84 16.7 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 123.658 0.599 . . . . 74.51 109.868 179.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -41.75 -57.82 2.2 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.912 1.685 . . . . 73.14 112.091 175.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -64.78 -55.27 20.76 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 115.149 -0.932 . . . . 74.3 111.705 -175.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1018 ' ' LYS . . . . . 0.542 ' NZ ' ' SD ' ' A' ' 48' ' ' MET . 65.1 tttm -67.71 -33.42 74.86 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.454 1.101 . . . . 73.42 111.555 -171.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1019 ' ' MET . . . . . 0.654 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.3 OUTLIER -80.86 -27.72 36.28 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.904 -0.589 . . . . 73.43 110.424 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -70.27 -26.78 63.98 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 110.148 -0.315 . . . . 74.22 110.148 167.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 95.8 mt -86.65 -11.72 50.51 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 118.401 -0.809 . . . . 75.32 112.455 177.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1022 ' ' LEU . . . . . 0.654 ' HG ' ' HA ' ' A' 1019 ' ' MET . 31.0 mt . . . . . 0 N--CA 1.498 1.947 0 C-N-CA 123.139 0.576 . . . . 73.44 111.573 169.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.9 m . . . . . 0 N--CA 1.481 1.118 0 N-CA-C 112.979 0.733 . . . . 74.51 112.979 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.9 m -73.43 -11.73 60.57 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 112.236 0.458 . . . . 75.33 112.236 -175.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 50.2 m -71.82 -57.01 4.71 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.588 0.755 . . . . 74.12 109.937 174.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.3 p -65.04 -32.35 57.9 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.989 0 C-N-CA 122.86 0.464 . . . . 73.0 109.902 178.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -56.88 -60.53 3.44 Favored 'General case' 0 C--N 1.365 1.261 0 N-CA-C 109.784 -0.45 . . . . 72.02 109.784 171.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -58.21 -52.58 64.98 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.284 1.033 . . . . 71.45 110.767 -171.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.607 HD13 HG12 ' A' ' 60' ' ' ILE . 69.9 mt -66.81 -46.28 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 123.905 0.882 . . . . 73.14 111.644 -175.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.79 -30.27 65.35 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-N 117.694 0.224 . . . . 75.5 111.493 -175.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.438 ' HD3' HG23 ' A' ' 46' ' ' THR . 94.5 mtt180 -72.22 -51.41 21.21 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 118.842 -0.599 . . . . 73.25 110.045 177.022 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 58.2 m95 -56.86 -37.6 71.54 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 123.605 0.565 . . . . 73.35 110.985 175.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -60.8 -51.7 68.2 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 123.943 0.777 . . . . 73.22 109.841 176.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -62.75 -36.47 83.15 Favored 'General case' 0 C--O 1.212 -0.877 0 O-C-N 124.305 1.003 . . . . 75.12 111.204 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.464 HG21 ' OG1' ' A' ' 71' ' ' THR . 89.9 mt -68.78 -39.22 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 123.658 0.783 . . . . 75.25 110.165 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.5 -42.33 87.51 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.55 0.74 . . . . 72.42 111.09 177.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.2 mt -71.05 -39.42 72.26 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.912 0.885 . . . . 74.55 110.893 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 40' ' ' TYR . 38.2 mt -64.0 -48.49 76.18 Favored 'General case' 0 C--O 1.211 -0.967 0 C-N-CA 123.216 0.606 . . . . 74.02 109.468 176.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.3 p -66.07 -37.93 87.03 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.573 0.546 . . . . 70.21 111.418 -174.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -71.33 -35.22 71.14 Favored 'General case' 0 N--CA 1.484 1.252 0 O-C-N 123.171 0.295 . . . . 74.31 110.835 177.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.415 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 67.5 m -61.56 -60.01 4.34 Favored 'General case' 0 C--N 1.356 0.884 0 N-CA-C 108.942 -0.762 . . . . 72.02 108.942 173.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.62 HD11 ' HH2' ' A' 1008 ' ' TRP . 35.5 mt -52.21 -36.76 53.01 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.701 1.6 . . . . 72.24 112.032 178.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.584 HD23 ' HA ' ' A' ' 74' ' ' ASN . 37.2 tp -64.19 -56.12 16.92 Favored 'General case' 0 C--O 1.246 0.872 0 C-N-CA 123.643 0.777 . . . . 73.4 110.72 179.101 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 38.8 tt0 -59.84 -40.92 90.17 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 124.329 1.018 . . . . 73.15 109.684 -179.093 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.504 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 96.2 mt -66.92 -35.39 79.88 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.407 1.083 . . . . 74.33 111.343 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.512 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -65.41 -42.88 92.08 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.979 0.512 . . . . 63.24 109.688 177.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -65.47 -33.65 76.44 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 115.075 -0.966 . . . . 75.34 111.451 174.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.421 ' HD2' HD21 ' A' ' 24' ' ' LEU . 92.5 mtt-85 -73.37 -25.98 60.81 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.265 0.626 . . . . 72.22 111.221 176.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.2 13.85 55.31 Favored Glycine 0 C--N 1.348 1.219 0 O-C-N 123.409 0.443 . . . . 63.34 113.487 -176.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.504 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 41.1 mm-40 -77.04 75.5 3.61 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.52 1.128 . . . . 73.01 110.836 178.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -72.98 -28.85 62.63 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.598 0.359 . . . . 75.3 110.926 -177.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -59.68 -49.41 77.83 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.351 0.661 . . . . 63.32 110.717 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 78.0 mt -63.65 -34.13 77.15 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.615 0.766 . . . . 75.53 111.89 177.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.0 mp -66.15 -37.62 86.12 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 119.409 -0.329 . . . . 74.31 111.772 173.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.65 -36.88 73.62 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.195 0.598 . . . . 72.02 111.048 177.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -71.13 -52.66 18.0 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.338 0.655 . . . . 75.52 110.222 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.485 ' HB2' HD22 ' A' ' 21' ' ' LEU . 13.9 mt-30 -79.42 -10.86 59.89 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.277 1.031 . . . . 74.2 111.704 -178.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.412 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 11.0 tt0 -44.11 -63.78 0.8 Allowed 'General case' 0 C--N 1.366 1.302 0 C-N-CA 123.428 0.691 . . . . 74.43 110.87 171.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.402 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 6.0 p -58.1 -42.65 83.58 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 O-C-N 124.319 1.012 . . . . 70.24 111.107 -176.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.7 m -60.38 -46.14 91.04 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.389 0.676 . . . . 72.21 111.312 -178.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.428 ' HA ' HD12 ' A' ' 17' ' ' LEU . 55.4 t80 -67.35 -45.07 77.41 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.234 1.014 . . . . 63.11 110.564 -176.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 57.3 mt -67.28 -40.1 86.09 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 123.981 0.801 . . . . 74.24 110.782 -177.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 85.1 mm-40 -67.31 -36.77 82.18 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.506 0.323 . . . . 74.31 110.616 178.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.8 m -61.82 -40.29 94.74 Favored 'General case' 0 CA--C 1.551 0.993 0 O-C-N 123.595 0.56 . . . . 62.54 110.875 173.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.0 mt -61.1 -47.46 93.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.278 1.031 . . . . 70.34 111.156 176.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.45 -54.47 46.43 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.631 0.772 . . . . 73.31 111.153 178.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.438 HG23 ' HD3' ' A' ' 10' ' ' ARG . 14.8 t -72.28 -24.02 61.28 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 112.603 0.594 . . . . 72.13 112.603 -173.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.6 p -79.99 -41.14 21.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 CA-C-N 118.293 0.497 . . . . 73.14 110.353 176.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.458 ' SD ' ' HG2' ' A' 1018 ' ' LYS . 53.9 ttm -78.53 -14.49 59.32 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.035 0.534 . . . . 73.43 109.867 -178.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 . . . . . 0 CA--C 1.553 1.058 0 C-N-CA 124.256 1.023 . . . . 73.12 110.952 172.265 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.9 t . . . . . 0 N--CA 1.485 1.284 0 N-CA-C 111.85 0.315 . . . . 74.2 111.85 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -58.34 -32.37 68.46 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.18 0.992 . . . . 74.32 112.717 -171.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.7 m -63.78 -56.71 13.49 Favored 'General case' 0 C--O 1.249 1.073 0 C-N-CA 123.093 0.557 . . . . 74.35 111.09 -178.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.607 HG12 HD13 ' A' ' 8' ' ' ILE . 66.3 mt -60.74 -49.99 82.28 Favored 'Isoleucine or valine' 0 C--N 1.357 0.91 0 CA-C-N 115.515 -0.766 . . . . 74.43 109.265 178.133 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -56.51 -40.04 74.35 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 124.212 0.945 . . . . 72.23 111.72 -178.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -67.29 -57.62 6.32 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.517 0.727 . . . . 72.53 111.199 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 69.7 mtm -61.67 -48.38 81.08 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 123.582 0.551 . . . . 70.44 110.516 -175.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 22.8 t -59.82 -43.92 92.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 124.37 1.068 . . . . 63.31 111.327 178.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.72 -34.09 77.09 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 117.922 0.328 . . . . 70.54 110.477 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.8 -46.6 93.79 Favored Glycine 0 C--N 1.348 1.214 0 N-CA-C 111.112 -0.795 . . . . 75.43 111.112 173.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -70.2 -31.57 69.08 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.16 0.984 . . . . 63.51 111.634 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.9 mt -69.57 -55.19 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.338 1.055 . . . . 73.34 109.901 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -63.67 -36.21 83.1 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 123.557 0.536 . . . . 72.5 110.212 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -62.42 -54.94 32.91 Favored 'General case' 0 C--N 1.357 0.91 0 O-C-N 123.846 0.716 . . . . 72.41 110.807 176.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.464 ' OG1' HG21 ' A' ' 14' ' ' ILE . 6.4 t -69.34 -36.42 76.89 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 123.45 0.469 . . . . 74.34 111.74 -172.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.462 HD22 ' HG2' ' A' 1016 ' ' GLU . 83.5 mt -70.93 -35.79 72.38 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.651 0.594 . . . . 74.43 111.159 177.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -65.11 -45.82 83.56 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-O 120.958 0.409 . . . . 74.33 110.133 174.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.584 ' HA ' HD23 ' A' ' 22' ' ' LEU . 86.1 m-20 -65.34 -40.02 93.1 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 115.282 -0.872 . . . . 71.4 110.71 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.572 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 36.1 tt0 -79.53 -21.32 45.37 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.951 0.9 . . . . 74.35 110.754 -178.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -69.17 -46.22 68.06 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 108.667 -0.864 . . . . 75.24 108.667 172.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.3 mt -69.65 -35.26 75.03 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 114.685 -1.143 . . . . 74.15 110.957 177.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.572 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 19.5 mt -62.15 -46.02 90.87 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.643 0.777 . . . . 74.25 110.441 171.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -62.03 -49.82 74.48 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.908 0.755 . . . . 71.33 109.903 -177.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.47 -49.22 75.87 Favored Glycine 0 C--N 1.351 1.385 0 O-C-N 123.967 0.792 . . . . 65.41 112.597 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.512 HD22 ' HB1' ' A' ' 25' ' ' ALA . 10.5 tt -62.86 -60.3 3.67 Favored 'General case' 0 C--O 1.215 -0.747 0 C-N-CA 123.489 0.716 . . . . 72.12 110.359 -178.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.592 HD11 ' HE1' ' A' 1008 ' ' TRP . 41.4 mt -64.26 -34.09 77.31 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.992 0.917 . . . . 73.25 112.905 -173.226 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.03 -46.72 70.4 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 108.746 -0.835 . . . . 72.43 108.746 175.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -61.33 -36.71 80.91 Favored 'General case' 0 C--N 1.357 0.904 0 O-C-N 123.883 0.739 . . . . 73.43 110.796 176.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -75.26 -44.19 47.26 Favored 'General case' 0 C--O 1.21 -1.015 0 C-N-CA 123.847 0.859 . . . . 74.22 110.821 -174.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.484 HD13 ' HB3' ' A' 1005 ' ' LEU . 98.5 mt -67.57 -38.57 84.27 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 117.919 0.327 . . . . 70.31 110.591 177.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -63.11 -45.66 90.96 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.762 0.825 . . . . 74.1 110.578 174.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -63.21 -56.91 12.73 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.881 0.872 . . . . 74.24 109.874 -178.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 96.9 mt -54.57 -42.02 70.54 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.056 1.343 . . . . 75.12 111.733 178.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 94.5 p . . . . . 0 N--CA 1.476 0.862 0 C-N-CA 122.201 0.201 . . . . 75.41 110.617 -179.767 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 51.1 ttp . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 120.656 0.265 . . . . 75.12 110.969 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 40.4 p -70.85 -45.37 64.6 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.509 -0.768 . . . . 72.55 111.451 -174.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 4.5 t -62.12 -38.77 90.19 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 123.255 0.347 . . . . 75.03 110.294 -178.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -71.76 -43.6 65.48 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 116.001 -0.545 . . . . 75.22 110.63 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1005 ' ' LEU . . . . . 0.484 ' HB3' HD13 ' A' ' 86' ' ' LEU . 52.7 mt -67.94 -32.81 73.52 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 112.023 0.379 . . . . 73.4 112.023 178.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 55.2 p -73.1 -43.23 62.05 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 118.021 0.373 . . . . 62.55 110.662 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -67.54 -29.56 68.98 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 120.992 0.425 . . . . 74.2 110.246 175.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1008 ' ' TRP . . . . . 0.62 ' HH2' HD11 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -67.55 -41.19 84.67 Favored 'General case' 0 C--O 1.216 -0.687 0 C-N-CA 124.848 1.259 . . . . 71.51 109.962 177.138 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1009 ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' 1005 ' ' LEU . 91.3 mt -73.46 -30.91 63.49 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 109.34 -0.615 . . . . 75.1 109.34 -179.237 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 95.5 m -64.48 -40.43 95.68 Favored 'General case' 0 CA--C 1.551 1.004 0 O-C-N 124.131 0.894 . . . . 73.11 110.536 171.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -73.95 -31.94 63.27 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.624 0.77 . . . . 75.04 111.162 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1012 ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' 1008 ' ' TRP . 26.7 mt -69.16 -43.41 74.34 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 108.508 -0.923 . . . . 73.25 108.508 176.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 22.0 t70 -59.62 -43.89 93.65 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 114.682 -1.144 . . . . 64.22 110.732 177.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 63.8 t30 -64.43 -47.97 77.11 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 124.054 0.846 . . . . 72.43 110.389 -178.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 38.0 t80 -61.65 -58.79 6.67 Favored 'General case' 0 C--N 1.357 0.901 0 C-N-CA 123.557 0.743 . . . . 73.25 110.701 178.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1016 ' ' GLU . . . . . 0.462 ' HG2' HD22 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -49.29 -53.68 20.69 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.236 1.414 . . . . 75.2 110.924 -177.622 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1017 ' ' ALA . . . . . 0.439 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -61.1 -58.9 6.44 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 124.138 0.899 . . . . 73.31 110.733 -178.398 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1018 ' ' LYS . . . . . 0.458 ' HG2' ' SD ' ' A' ' 48' ' ' MET . 0.4 OUTLIER -59.09 -40.33 84.94 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.478 0.711 . . . . 74.03 112.232 -175.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1019 ' ' MET . . . . . 0.619 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.3 OUTLIER -78.85 -24.0 44.64 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 116.582 -0.281 . . . . 75.32 110.918 -174.182 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -70.21 -36.25 74.46 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 109.267 -0.642 . . . . 64.31 109.267 167.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1021 ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' 1017 ' ' ALA . 93.4 mt -78.41 -11.95 59.98 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 118.276 -0.868 . . . . 63.11 112.0 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1022 ' ' LEU . . . . . 0.619 ' HG ' ' HA ' ' A' 1019 ' ' MET . 38.8 mt . . . . . 0 N--CA 1.5 2.034 0 C-N-CA 123.637 0.775 . . . . 75.3 111.46 171.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.8 p . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 110.214 -0.291 . . . . 75.52 110.214 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.8 t -55.27 -42.87 74.11 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.081 0.952 . . . . 61.42 111.191 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 50.3 m -59.08 -57.88 11.12 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.129 1.372 . . . . 72.12 111.624 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.9 p -68.41 -33.78 62.12 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 O-C-N 123.315 0.384 . . . . 72.03 110.64 -172.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -66.95 -48.7 67.79 Favored 'General case' 0 C--O 1.217 -0.652 0 C-N-CA 122.401 0.28 . . . . 75.2 110.299 176.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -58.42 -51.28 70.5 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.391 0.676 . . . . 72.21 110.808 -177.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.649 HD11 HG12 ' A' ' 60' ' ' ILE . 97.2 mt -64.03 -44.94 97.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.15 0.98 . . . . 72.21 111.391 -178.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.29 -39.55 78.26 Favored 'General case' 0 N--CA 1.484 1.266 0 O-C-N 123.397 0.436 . . . . 70.41 111.278 -176.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.532 ' HD3' HG22 ' A' ' 46' ' ' THR . 84.7 mtt180 -69.33 -40.69 77.43 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.747 0.654 . . . . 74.31 110.335 -178.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 36.3 m95 -65.28 -39.37 92.5 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 123.1 0.25 . . . . 73.23 111.426 173.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.407 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 59.2 tt0 -59.76 -42.83 94.12 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 123.969 0.793 . . . . 74.41 109.971 176.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -65.5 -44.0 88.42 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 123.901 0.751 . . . . 74.33 110.889 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 10' ' ' ARG . 73.0 mt -64.41 -35.72 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 122.947 0.499 . . . . 72.34 110.607 178.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.55 -50.76 66.03 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.802 0.841 . . . . 74.41 110.716 177.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 97.7 mt -63.98 -42.43 97.22 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 115.161 -0.927 . . . . 74.23 110.633 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.422 HD11 ' HA ' ' A' ' 40' ' ' TYR . 55.9 mt -62.81 -57.44 10.88 Favored 'General case' 0 C--O 1.213 -0.861 0 C-N-CA 124.012 0.925 . . . . 74.52 110.252 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 81.1 p -57.46 -37.38 72.79 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.846 0.858 . . . . 63.32 111.672 -177.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -63.37 -49.03 75.45 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.709 0.804 . . . . 72.11 110.955 176.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.7 m -60.9 -44.98 96.38 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 123.875 0.735 . . . . 75.54 110.406 178.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.53 HD11 ' HH2' ' A' 1008 ' ' TRP . 60.9 mt -64.24 -36.67 84.84 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.837 1.255 . . . . 71.42 110.634 -179.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.617 HD22 ' HA ' ' A' ' 74' ' ' ASN . 35.2 tp -65.53 -44.53 86.58 Favored 'General case' 0 C--N 1.351 0.647 0 C-N-CA 122.999 0.52 . . . . 74.22 109.882 178.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -59.84 -40.57 88.96 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 124.078 0.862 . . . . 63.22 109.995 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 75.8 mt -72.85 -25.63 61.18 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.11 0.964 . . . . 74.23 112.202 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.502 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -74.39 -39.72 62.51 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.047 0.539 . . . . 75.01 109.654 173.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -68.19 -28.32 67.16 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.835 0.854 . . . . 74.51 110.672 174.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -81.92 -27.44 33.35 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.272 1.029 . . . . 73.21 111.563 176.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.68 11.67 67.97 Favored Glycine 0 C--N 1.341 0.825 0 CA-C-O 119.467 -0.63 . . . . 73.55 113.605 -175.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.37 82.99 4.62 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.171 0.588 . . . . 75.11 110.457 174.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -73.91 -26.7 60.67 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 115.856 -0.611 . . . . 72.4 109.908 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -52.84 -51.67 60.07 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.805 1.242 . . . . 74.33 111.999 175.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.2 mt -73.68 -22.95 59.78 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.752 -0.658 . . . . 64.51 111.585 -176.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 42.1 mt -67.58 -43.67 80.0 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 109.555 -0.535 . . . . 73.31 109.555 171.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.69 -31.99 69.06 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.458 0.703 . . . . 75.21 111.862 177.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -70.27 -47.94 59.05 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.375 0.67 . . . . 65.22 110.214 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -87.25 -10.41 52.53 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.441 1.096 . . . . 54.15 112.0 -176.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.483 ' HG3' ' CE3' ' A' 1008 ' ' TRP . 31.3 tt0 -43.87 -56.71 3.71 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 124.087 0.955 . . . . 63.5 111.72 176.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.6 p -55.43 -41.2 61.59 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 C-N-CA 123.91 0.884 . . . . 75.34 112.155 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.4 m -72.24 -38.25 68.96 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.288 0.635 . . . . 74.05 112.156 -177.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.422 ' HA ' HD11 ' A' ' 17' ' ' LEU . 35.5 t80 -71.25 -46.29 61.33 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.178 0.591 . . . . 71.23 110.507 -177.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 77.9 mt -69.1 -33.42 73.47 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 123.822 0.701 . . . . 73.12 110.6 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -62.59 -45.01 94.88 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.417 0.687 . . . . 71.24 110.946 172.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.405 ' HA ' HG23 ' A' ' 46' ' ' THR . 6.7 t -67.57 -37.81 83.19 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 123.057 0.543 . . . . 63.22 109.899 -178.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.2 mt -59.12 -56.37 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.85 1.26 . . . . 75.55 111.329 176.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 12.5 pt-20 -67.35 -37.01 82.57 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 116.577 -0.283 . . . . 71.31 110.981 -176.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.532 HG22 ' HD3' ' A' ' 10' ' ' ARG . 4.3 t -71.75 -31.71 66.95 Favored 'General case' 0 C--N 1.36 1.048 0 O-C-N 122.998 0.186 . . . . 71.24 111.443 -175.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.9 p -77.49 -31.78 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 O-C-N 122.132 -0.355 . . . . 72.33 110.238 173.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 39.8 ttm -77.37 -12.2 59.93 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 122.615 0.366 . . . . 75.13 110.77 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 45' ' ' GLU . 50.9 mt-10 . . . . . 0 N--CA 1.484 1.262 0 C-N-CA 122.909 0.484 . . . . 74.43 110.6 165.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.484 1.241 0 CA-C-O 119.906 -0.092 . . . . 75.42 111.025 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -58.11 -40.16 80.49 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.251 1.02 . . . . 74.31 111.476 -172.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.8 m -55.11 -55.79 27.08 Favored 'General case' 0 C--O 1.247 0.942 0 C-N-CA 123.617 0.767 . . . . 74.5 111.759 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.649 HG12 HD11 ' A' ' 8' ' ' ILE . 57.9 mt -67.8 -38.84 80.88 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-N 115.057 -0.974 . . . . 74.13 109.958 -178.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -53.38 -54.6 34.37 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.471 0.708 . . . . 74.41 110.433 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.68 -43.49 47.14 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 123.965 0.79 . . . . 62.24 112.139 -173.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 74.6 mtm -61.26 -50.46 72.94 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-O 120.648 0.261 . . . . 72.04 110.861 179.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.0 t -66.99 -37.26 79.04 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.701 0 CA-C-N 115.574 -0.739 . . . . 74.14 111.198 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.81 -31.59 72.6 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-N 118.182 0.446 . . . . 73.15 110.821 175.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.52 -44.73 71.16 Favored Glycine 0 C--N 1.351 1.369 0 O-C-N 123.911 0.757 . . . . 75.15 111.6 173.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -67.66 -28.97 68.16 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.074 0.55 . . . . 74.24 111.18 178.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.442 HG12 ' HE3' ' A' 1019 ' ' MET . 20.5 mt -74.02 -43.69 51.6 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 124.744 1.218 . . . . 73.42 109.643 179.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -61.59 -42.65 99.16 Favored 'General case' 0 C--N 1.35 0.625 0 N-CA-C 109.724 -0.473 . . . . 74.22 109.724 174.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -56.77 -60.14 4.0 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 123.954 0.784 . . . . 71.33 110.176 176.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.7 t -66.57 -42.41 87.1 Favored 'General case' 0 C--O 1.212 -0.891 0 CA-C-O 118.968 -0.539 . . . . 75.53 112.09 -171.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 67.9 mt -69.89 -34.68 73.84 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 119.302 -0.38 . . . . 70.2 111.811 -177.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -73.76 -46.28 46.67 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 122.835 0.454 . . . . 72.53 109.886 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.617 ' HA ' HD22 ' A' ' 22' ' ' LEU . 90.4 m-20 -62.0 -41.69 98.32 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.77 0.828 . . . . 74.2 110.672 178.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.549 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 35.1 tt0 -77.56 -29.05 52.01 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.016 0.926 . . . . 72.45 110.831 -178.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -60.8 -46.98 88.38 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 109.204 -0.665 . . . . 74.12 109.204 172.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.7 mt -69.82 -34.59 73.89 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 114.663 -1.153 . . . . 74.53 111.4 176.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.549 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 18.1 mt -59.81 -63.35 1.33 Allowed 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.178 0.591 . . . . 74.43 110.504 174.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.464 ' HE2' ' HG2' ' A' ' 75' ' ' GLU . 45.4 mtmt -55.59 -38.87 69.97 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.291 1.037 . . . . 73.34 112.828 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.33 -51.87 55.24 Favored Glycine 0 C--N 1.344 0.998 0 O-C-N 123.368 0.417 . . . . 75.14 112.365 175.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.502 HD22 ' HB2' ' A' ' 25' ' ' ALA . 10.1 tt -68.38 -39.23 81.82 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.222 1.009 . . . . 75.15 111.26 -176.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.475 HD11 ' HE1' ' A' 1008 ' ' TRP . 36.2 mt -79.2 -31.85 43.86 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.063 0.945 . . . . 74.02 111.011 -174.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 59.1 tp60 -68.8 -47.46 66.05 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.96 -0.756 . . . . 73.32 108.96 173.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.414 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 7.2 tp-100 -53.76 -41.54 67.27 Favored 'General case' 0 CA--C 1.55 0.955 0 O-C-N 124.312 1.008 . . . . 73.03 110.945 173.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -75.18 -41.58 57.73 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.515 0.726 . . . . 72.42 111.126 -174.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.442 HD22 HD13 ' A' ' 89' ' ' LEU . 88.8 mt -73.22 -21.91 60.55 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.962 0.505 . . . . 74.43 111.055 179.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -74.68 -40.25 61.5 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.021 -0.733 . . . . 70.13 109.021 173.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 84' ' ' GLN . 46.1 mt-10 -57.79 -56.21 24.83 Favored 'General case' 0 C--N 1.366 1.301 0 O-C-N 123.765 0.666 . . . . 72.23 109.656 171.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.442 HD13 HD22 ' A' ' 86' ' ' LEU . 95.2 mt -59.67 -37.51 78.96 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.929 1.292 . . . . 75.44 112.239 -178.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 C--N 1.35 0.628 0 N-CA-C 109.218 -0.66 . . . . 73.05 109.218 174.894 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 51.2 ttp . . . . . 0 CA--C 1.548 0.889 0 N-CA-C 111.721 0.267 . . . . 71.32 111.721 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 40.3 p -70.74 -54.04 13.26 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-O 119.167 -0.444 . . . . 72.55 111.887 -176.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 85.6 m -58.58 -41.49 85.86 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.17 0.588 . . . . 51.42 111.105 -178.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -62.52 -53.57 52.76 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 123.902 0.751 . . . . 74.14 110.623 175.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1005 ' ' LEU . . . . . 0.488 ' HA ' ' HB3' ' A' 1008 ' ' TRP . 36.4 mt -67.77 -27.83 67.09 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 112.637 0.606 . . . . 73.02 112.637 -176.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 40.8 p -76.16 -45.17 34.72 Favored 'General case' 0 C--O 1.25 1.088 0 CA-C-N 118.547 0.612 . . . . 74.13 110.23 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1007 ' ' ARG . . . . . 0.414 ' HA ' HG23 ' A' 1010 ' ' THR . 46.9 ttt85 -65.09 -30.69 71.66 Favored 'General case' 0 CA--C 1.555 1.136 0 CA-C-O 121.417 0.627 . . . . 74.1 110.001 174.024 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1008 ' ' TRP . . . . . 0.53 ' HH2' HD11 ' A' ' 21' ' ' LEU . 3.3 t-105 -65.63 -48.73 71.23 Favored 'General case' 0 C--O 1.218 -0.593 0 C-N-CA 124.658 1.183 . . . . 74.5 109.879 174.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1009 ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' 1005 ' ' LEU . 65.5 mt -63.44 -34.62 78.14 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 118.025 0.375 . . . . 71.32 111.22 -179.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1010 ' ' THR . . . . . 0.414 HG23 ' HA ' ' A' 1007 ' ' ARG . 13.0 t -79.31 -25.68 42.35 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-N 117.972 0.351 . . . . 74.13 111.521 176.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -71.63 -35.98 70.59 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 110.051 -0.351 . . . . 73.15 110.051 174.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1012 ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' 1008 ' ' TRP . 27.0 mt -72.46 -36.89 68.6 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.751 0.82 . . . . 72.25 110.024 176.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 20.9 t70 -67.92 -40.91 83.29 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.978 0.911 . . . . 73.25 110.576 178.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 54.9 t30 -68.48 -41.45 80.08 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.709 0.804 . . . . 63.12 110.067 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 35.4 t80 -57.16 -58.8 6.61 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 123.401 0.681 . . . . 74.54 110.09 173.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -52.49 -44.69 65.8 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 124.52 1.138 . . . . 72.3 111.446 -178.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -61.24 -61.22 2.71 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 123.974 0.797 . . . . 60.31 111.02 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -59.33 -39.87 84.52 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.422 0.689 . . . . 71.54 111.693 -176.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1019 ' ' MET . . . . . 0.637 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.3 OUTLIER -81.11 -27.19 35.68 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.092 -0.504 . . . . 64.03 111.633 -171.586 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -75.57 -28.15 58.87 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 109.99 -0.374 . . . . 62.24 109.99 170.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 93.6 mt -81.4 -17.0 50.49 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 117.756 -1.116 . . . . 75.14 112.364 176.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1022 ' ' LEU . . . . . 0.637 ' HG ' ' HA ' ' A' 1019 ' ' MET . 36.7 mt . . . . . 0 N--CA 1.501 2.106 0 O-C-N 123.868 0.73 . . . . 71.23 111.593 174.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.3 p . . . . . 0 N--CA 1.488 1.436 0 N-CA-C 111.804 0.298 . . . . 72.45 111.804 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 m -63.3 -29.88 71.12 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.537 0.735 . . . . 72.41 111.399 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 44.5 m -67.8 -45.97 73.26 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.991 0.917 . . . . 74.45 110.923 176.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.4 t -62.03 -42.73 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.367 0.667 . . . . 75.44 109.674 177.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -57.77 -57.67 11.73 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 123.868 0.73 . . . . 74.44 110.389 176.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -54.97 -58.56 7.14 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 124.39 1.076 . . . . 74.43 111.455 -173.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.494 HD11 HG12 ' A' ' 60' ' ' ILE . 76.9 mt -63.73 -48.0 88.52 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.883 0 C-N-CA 124.169 0.988 . . . . 75.33 111.826 -176.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.504 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 21.6 m-80 -69.19 -38.73 78.8 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 118.734 -0.65 . . . . 75.43 111.376 -176.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.51 ' HD3' HG22 ' A' ' 46' ' ' THR . 98.0 mtt180 -62.66 -48.65 78.4 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 122.661 0.384 . . . . 74.55 110.084 178.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 52.0 m95 -56.51 -39.36 73.18 Favored 'General case' 0 N--CA 1.484 1.232 0 O-C-N 123.911 0.757 . . . . 74.23 111.048 175.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -62.92 -42.07 99.68 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.367 0.667 . . . . 73.53 111.424 175.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 27.8 mmt180 -61.3 -45.66 93.55 Favored 'General case' 0 C--N 1.36 1.05 0 N-CA-C 109.36 -0.607 . . . . 75.23 109.36 -179.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 10' ' ' ARG . 51.2 mt -65.91 -36.12 76.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 O-C-N 124.063 0.852 . . . . 72.24 110.757 -178.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.47 -49.24 74.4 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.233 0.613 . . . . 72.33 111.414 177.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.1 mt -69.06 -40.65 78.37 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 115.118 -0.947 . . . . 74.24 110.525 -178.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.6 mt -65.28 -45.62 83.75 Favored 'General case' 0 C--O 1.212 -0.886 0 C-N-CA 123.716 0.806 . . . . 71.22 109.984 178.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.9 p -65.17 -41.81 94.31 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 123.248 0.343 . . . . 63.51 111.118 -176.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.476 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 27.5 pt20 -72.22 -34.19 68.14 Favored 'General case' 0 C--N 1.358 0.964 0 O-C-N 123.318 0.386 . . . . 75.34 111.393 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.517 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 73.2 m -65.8 -54.89 20.88 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 109.927 -0.397 . . . . 73.52 109.927 176.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.61 ' HA ' HD11 ' A' ' 24' ' ' LEU . 90.5 mt -55.83 -33.13 64.19 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.905 1.282 . . . . 75.51 111.147 177.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.451 HD21 ' HA ' ' A' ' 74' ' ' ASN . 52.8 tp -64.05 -52.43 59.42 Favored 'General case' 0 C--N 1.346 0.425 0 O-C-N 123.951 0.782 . . . . 62.4 110.614 175.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 19' ' ' GLN . 19.9 mm-40 -57.18 -42.23 80.77 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 124.022 0.826 . . . . 74.45 111.268 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.61 HD11 ' HA ' ' A' ' 21' ' ' LEU . 41.7 mt -62.36 -46.25 89.5 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 114.452 -1.249 . . . . 74.05 110.319 178.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.425 ' HB3' HD22 ' A' ' 81' ' ' LEU . . . -65.93 -36.92 84.7 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.872 0.869 . . . . 73.04 111.342 -178.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -65.34 -37.23 86.45 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 115.498 -0.774 . . . . 73.12 110.466 176.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -88.94 -13.64 38.54 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 112.784 0.661 . . . . 74.51 112.784 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.58 12.76 56.65 Favored Glycine 0 C--N 1.351 1.384 0 N-CA-C 115.119 0.808 . . . . 63.12 115.119 176.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -76.68 77.08 3.33 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 117.8 0.8 . . . . 74.25 110.477 171.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.417 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 26.7 m95 -72.2 -29.32 63.85 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.463 0.705 . . . . 73.1 111.001 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -55.86 -46.04 78.34 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.716 1.206 . . . . 73.34 111.556 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.423 HD11 HD22 ' A' ' 24' ' ' LEU . 83.3 mt -73.25 -21.19 60.68 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.116 -0.947 . . . . 73.24 111.32 -179.013 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.561 ' HA ' HD21 ' A' ' 21' ' ' LEU . 11.2 mp -68.81 -45.52 71.02 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 109.48 -0.563 . . . . 72.51 109.48 169.296 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.462 HD22 ' HD3' ' A' 1004 ' ' ARG . 47.9 mt -67.61 -31.9 72.25 Favored 'General case' 0 N--CA 1.483 1.199 0 O-C-N 124.111 0.882 . . . . 73.55 111.246 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -72.86 -55.44 6.66 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.497 0.719 . . . . 74.45 110.568 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.542 ' HB2' HD22 ' A' ' 21' ' ' LEU . 14.7 mt-30 -79.83 -8.99 59.6 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.209 1.004 . . . . 74.32 112.028 -177.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -44.27 -53.61 6.5 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 125.41 1.484 . . . . 75.31 112.158 173.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.7 m -60.11 -42.66 90.75 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 O-C-N 123.854 0.721 . . . . 74.41 111.508 -177.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.9 m -67.2 -44.93 78.37 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.829 0.852 . . . . 74.4 111.099 -178.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -65.99 -50.77 63.12 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.219 1.007 . . . . 73.33 111.39 -176.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.8 mt -68.0 -35.82 78.96 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 123.826 0.704 . . . . 75.34 111.031 -178.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -62.14 -44.57 96.34 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.932 0.493 . . . . 72.32 110.944 174.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.6 m -62.05 -41.94 98.66 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.188 0.595 . . . . 64.24 110.797 177.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.408 HG21 ' CD2' ' A' 1015 ' ' PHE . 16.4 mt -58.4 -53.5 45.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.371 1.069 . . . . 75.41 111.314 178.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.26 -37.24 77.83 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 116.424 -0.353 . . . . 74.04 111.114 -174.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.51 HG22 ' HD3' ' A' ' 10' ' ' ARG . 6.3 t -72.99 -34.19 66.27 Favored 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 111.546 0.202 . . . . 75.52 111.546 -177.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.2 p -78.26 -36.88 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 O-C-N 122.035 -0.416 . . . . 74.42 110.817 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 56.9 ttm -68.13 -32.04 72.04 Favored 'General case' 0 C--N 1.358 0.954 0 N-CA-C 109.482 -0.562 . . . . 75.55 109.482 177.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 . . . . . 0 N--CA 1.473 0.718 0 C-N-CA 123.329 0.652 . . . . 75.43 111.033 173.558 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 82.0 p . . . . . 0 N--CA 1.479 0.984 0 CA-C-O 118.86 -0.59 . . . . 72.01 109.835 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.76 -39.5 52.37 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.021 0.928 . . . . 74.42 111.674 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.8 m -58.05 -58.64 7.54 Favored 'General case' 0 C--O 1.249 1.075 0 O-C-N 123.533 0.521 . . . . 61.41 111.369 -177.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.494 HG12 HD11 ' A' ' 8' ' ' ILE . 65.8 mt -63.86 -48.05 88.01 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 CA-C-N 115.179 -0.919 . . . . 72.14 109.446 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.91 -49.24 40.92 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.381 1.472 . . . . 75.41 111.241 178.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -74.9 -48.11 26.46 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.835 0.854 . . . . 64.33 111.056 -171.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 77.7 mtm -60.94 -49.06 78.97 Favored 'General case' 0 N--CA 1.482 1.151 0 O-C-N 123.575 0.547 . . . . 73.24 110.612 178.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.7 t -62.54 -39.36 84.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 124.118 0.967 . . . . 73.24 111.131 177.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.02 -30.63 71.62 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 122.74 0.416 . . . . 72.44 110.88 177.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.96 -42.03 79.62 Favored Glycine 0 C--N 1.353 1.501 0 O-C-N 124.063 0.852 . . . . 74.03 111.899 173.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -70.25 -28.7 65.45 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.113 0.565 . . . . 72.12 111.245 176.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.505 ' HA ' HG23 ' A' ' 71' ' ' THR . 26.6 mt -75.58 -38.91 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 124.901 1.281 . . . . 75.31 109.708 177.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -61.71 -45.86 92.16 Favored 'General case' 0 C--O 1.248 0.999 0 N-CA-C 109.148 -0.686 . . . . 71.52 109.148 176.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -61.06 -60.23 4.11 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 114.278 -1.328 . . . . 65.0 110.55 177.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.505 HG23 ' HA ' ' A' ' 68' ' ' ILE . 15.1 t -62.73 -38.99 92.7 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-O 119.194 -0.431 . . . . 74.25 112.138 -171.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.563 HD22 ' HG3' ' A' 1016 ' ' GLU . 44.8 mt -68.79 -42.34 77.51 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 111.998 0.37 . . . . 73.44 111.998 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -70.28 -46.59 64.03 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 120.786 0.327 . . . . 72.3 110.788 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.459 ' ND2' ' HB3' ' A' ' 19' ' ' GLN . 90.7 m-20 -63.34 -42.84 98.98 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.519 1.128 . . . . 73.44 111.192 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.633 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 35.0 tt0 -75.18 -32.73 61.33 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 123.816 0.697 . . . . 74.13 110.756 -178.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -62.38 -42.6 99.54 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 108.98 -0.748 . . . . 74.21 108.98 175.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.4 mt -69.7 -34.73 74.32 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 115.013 -0.994 . . . . 74.4 111.368 174.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.633 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 5.6 mt -62.33 -64.61 0.88 Allowed 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.681 0.793 . . . . 74.35 109.864 177.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 83' ' ' GLN . 60.5 pttt -66.07 -29.88 70.3 Favored 'General case' 0 C--O 1.22 -0.495 0 O-C-N 124.044 0.84 . . . . 74.13 111.725 -176.23 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.29 -59.8 8.89 Favored Glycine 0 C--N 1.356 1.644 0 N-CA-C 111.506 -0.637 . . . . 52.42 111.506 174.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.425 HD22 ' HB3' ' A' ' 25' ' ' ALA . 6.8 tt -53.69 -51.42 63.28 Favored 'General case' 0 C--N 1.349 0.576 0 C-N-CA 124.021 0.928 . . . . 72.21 110.663 177.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.426 HD11 ' HE1' ' A' 1008 ' ' TRP . 28.9 mt -65.44 -32.02 73.42 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.647 1.179 . . . . 74.55 112.554 -175.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.459 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 0.4 OUTLIER -66.06 -48.43 71.07 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 107.57 -1.27 . . . . 75.2 107.57 176.625 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -61.39 -38.95 88.91 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 124.348 1.03 . . . . 73.51 111.494 177.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -69.62 -39.99 76.87 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-N 115.227 -0.897 . . . . 74.53 110.793 -177.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.509 HD11 ' HB3' ' A' 1005 ' ' LEU . 88.3 mt -74.73 -26.11 59.57 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 119.082 -0.485 . . . . 71.44 110.859 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -59.57 -51.69 68.77 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 108.517 -0.92 . . . . 74.22 108.517 168.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -59.37 -60.11 4.38 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 124.792 1.307 . . . . 65.31 110.616 -178.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 95.8 mt -53.7 -41.91 67.46 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.345 1.458 . . . . 70.32 112.162 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 75.2 m . . . . . 0 N--CA 1.482 1.137 0 N-CA-C 110.253 -0.277 . . . . 75.31 110.253 174.7 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 48.3 ttp . . . . . 0 N--CA 1.479 1.011 0 CA-C-O 120.157 0.027 . . . . 64.25 111.034 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 30.5 p -69.9 -41.83 74.2 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.367 0.267 . . . . 74.43 110.882 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 51.6 m -56.8 -47.79 79.41 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.396 0.678 . . . . 74.31 110.82 173.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1004 ' ' ARG . . . . . 0.462 ' HD3' HD22 ' A' ' 34' ' ' LEU . 60.9 mtt-85 -52.71 -60.5 3.18 Favored 'General case' 0 C--N 1.354 0.799 0 O-C-N 124.473 1.108 . . . . 72.52 110.643 175.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1005 ' ' LEU . . . . . 0.584 ' HA ' ' HB3' ' A' 1008 ' ' TRP . 59.7 mt -68.08 -28.71 67.59 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 124.353 1.033 . . . . 64.41 112.89 -171.086 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 41.4 p -71.93 -45.79 59.88 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 118.535 0.607 . . . . 73.32 109.791 175.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -66.19 -27.85 68.31 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 122.903 0.481 . . . . 74.04 111.598 174.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1008 ' ' TRP . . . . . 0.584 ' HB3' ' HA ' ' A' 1005 ' ' LEU . 4.4 t-105 -71.98 -45.26 61.67 Favored 'General case' 0 C--O 1.217 -0.61 0 C-N-CA 125.039 1.335 . . . . 74.12 109.757 179.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1009 ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' 1005 ' ' LEU . 72.6 mt -70.81 -32.79 69.98 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 109.505 -0.554 . . . . 73.12 109.505 -178.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 52.5 m -59.67 -48.53 81.29 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 114.334 -1.303 . . . . 75.12 110.18 170.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -70.31 -30.92 68.02 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.697 0.799 . . . . 74.33 111.82 -178.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1012 ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' 1008 ' ' TRP . 18.1 mt -71.07 -54.63 10.47 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.674 0.609 . . . . 71.33 109.755 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 11.5 t70 -63.4 -32.63 74.11 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 115.854 -0.612 . . . . 74.52 110.542 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 5.7 t30 -60.74 -47.99 83.8 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.353 1.061 . . . . 74.24 110.563 172.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1015 ' ' PHE . . . . . 0.408 ' CD2' HG21 ' A' ' 44' ' ' ILE . 38.5 t80 -60.6 -58.63 7.66 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 123.848 0.717 . . . . 73.33 110.187 178.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1016 ' ' GLU . . . . . 0.563 ' HG3' HD22 ' A' ' 72' ' ' LEU . 33.5 tt0 -51.2 -49.77 60.35 Favored 'General case' 0 C--N 1.354 0.777 0 O-C-N 124.646 1.216 . . . . 54.03 112.233 -178.206 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1017 ' ' ALA . . . . . 0.431 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -61.52 -57.99 9.91 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 123.96 0.788 . . . . 70.41 111.025 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -64.4 -30.23 71.27 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 115.762 -0.654 . . . . 73.31 112.163 -175.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1019 ' ' MET . . . . . 0.596 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.8 OUTLIER -84.61 -22.01 30.13 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 120.572 0.225 . . . . 64.15 111.007 -178.161 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -71.78 -27.82 63.21 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.931 0.492 . . . . 54.45 109.998 166.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1021 ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' 1017 ' ' ALA . 85.8 mt -80.5 -24.21 39.57 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.557 0.743 . . . . 72.33 111.752 175.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1022 ' ' LEU . . . . . 0.596 ' HG ' ' HA ' ' A' 1019 ' ' MET . 30.9 mt . . . . . 0 N--CA 1.499 1.993 0 C-N-CA 123.499 0.72 . . . . 72.22 111.831 175.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.9 p . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 111.51 0.189 . . . . 70.14 111.51 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.3 p -53.65 -48.33 69.51 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.955 0.902 . . . . 73.44 111.291 174.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 75.9 m -64.12 -54.25 36.76 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.791 1.236 . . . . 71.23 112.631 -177.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.0 p -65.6 -39.8 86.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 123.089 0.556 . . . . 74.11 110.342 -174.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -64.18 -42.3 96.75 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 110.158 -0.312 . . . . 73.21 110.158 175.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -55.6 -51.88 65.67 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 123.779 0.832 . . . . 74.44 110.636 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 72.3 mt -63.63 -46.27 95.27 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.996 0 C-N-CA 124.546 1.138 . . . . 65.51 111.347 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -70.22 -36.77 74.77 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.376 0.671 . . . . 75.15 112.038 -175.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.509 ' O ' HG13 ' A' ' 14' ' ' ILE . 69.0 mtt180 -69.47 -46.34 66.88 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 109.075 -0.713 . . . . 63.54 109.075 178.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 30.4 m95 -58.17 -40.63 81.96 Favored 'General case' 0 N--CA 1.483 1.193 0 O-C-N 123.911 0.757 . . . . 73.44 111.603 174.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -64.38 -42.31 96.22 Favored 'General case' 0 C--N 1.35 0.598 0 O-C-N 123.735 0.647 . . . . 71.01 110.125 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.9 ttm-85 -61.8 -43.0 99.71 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 124.071 0.857 . . . . 75.55 110.259 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 10' ' ' ARG . 62.0 mt -65.23 -39.97 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 O-C-N 123.749 0.655 . . . . 60.34 110.628 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.09 -47.5 79.83 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.678 0.791 . . . . 74.32 111.005 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.59 -45.34 87.36 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.893 0.877 . . . . 75.14 110.647 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 51.1 mt -62.15 -47.85 82.71 Favored 'General case' 0 C--O 1.21 -0.999 0 O-C-N 124.044 0.84 . . . . 75.12 110.552 178.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.7 t -62.76 -40.8 98.39 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 123.827 0.704 . . . . 74.54 110.679 -175.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -64.76 -49.95 68.73 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 124.045 0.84 . . . . 73.21 110.689 178.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.479 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 55.9 m -54.68 -50.72 67.56 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 124.402 1.064 . . . . 70.22 110.61 176.102 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.539 HD22 HD13 ' A' ' 24' ' ' LEU . 95.4 mt -66.47 -32.33 73.62 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 124.413 1.085 . . . . 73.24 111.096 -176.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.497 HD22 ' HA ' ' A' ' 74' ' ' ASN . 58.6 tp -64.83 -48.8 73.06 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 109.715 -0.476 . . . . 73.21 109.715 176.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -57.02 -48.27 78.89 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 124.219 0.95 . . . . 70.33 109.858 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.607 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 92.8 mt -54.2 -44.64 71.8 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.61 0.764 . . . . 75.01 111.208 177.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.529 ' HB2' HD21 ' A' ' 81' ' ' LEU . . . -63.98 -35.61 81.25 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.471 0.708 . . . . 75.12 111.569 179.169 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 80.8 mm-40 -67.45 -32.24 72.95 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 123.162 0.585 . . . . 74.43 111.57 175.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.4 HH11 ' HB2' ' A' ' 26' ' ' GLN . 11.0 mpt_? -86.54 -22.23 26.46 Favored 'General case' 0 N--CA 1.497 1.896 0 C-N-CA 122.811 0.444 . . . . 73.11 111.621 177.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.75 32.16 10.42 Favored Glycine 0 N--CA 1.467 0.725 0 N-CA-C 113.323 0.089 . . . . 71.3 113.323 -176.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.607 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 10.1 mm-40 -83.85 63.68 7.66 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.289 1.036 . . . . 72.52 109.572 175.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 31.2 m95 -62.6 -32.65 73.7 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.03 0.932 . . . . 74.14 110.567 -175.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -62.59 -53.45 54.47 Favored 'General case' 0 C--O 1.246 0.885 0 C-N-CA 124.381 1.072 . . . . 75.44 110.54 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 78.5 mt -64.36 -28.12 69.48 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 116.025 -0.534 . . . . 74.43 110.822 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.7 mt -66.52 -49.44 66.52 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 122.908 0.483 . . . . 74.53 110.622 173.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.8 mt -65.3 -31.96 73.37 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.767 0.827 . . . . 73.53 112.155 -177.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -74.3 -57.06 4.19 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 123.336 0.654 . . . . 73.51 110.264 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -74.9 -10.81 59.84 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.296 1.039 . . . . 73.35 112.599 -177.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -47.94 -46.27 31.96 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.655 1.182 . . . . 74.03 110.805 169.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.8 t -62.05 -45.98 97.51 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.014 0 CA-C-N 115.356 -0.838 . . . . 72.21 110.633 178.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.2 m -61.48 -45.34 94.67 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.529 0.732 . . . . 75.15 111.748 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -68.0 -49.37 61.99 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.987 0.915 . . . . 75.22 111.424 -175.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.9 mt -68.48 -26.96 65.74 Favored 'General case' 0 CA--C 1.553 1.072 0 O-C-N 123.744 0.652 . . . . 73.43 110.7 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -66.7 -45.27 79.29 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.998 0.519 . . . . 74.22 110.674 171.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.0 m -63.25 -38.87 92.87 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 116.085 -0.507 . . . . 72.41 110.658 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.418 HG23 ' CD2' ' A' 1015 ' ' PHE . 43.5 mt -60.81 -55.26 25.8 Favored 'Isoleucine or valine' 0 C--O 1.252 1.216 0 C-N-CA 124.487 1.115 . . . . 72.31 111.198 176.299 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -63.28 -36.19 82.84 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 116.325 -0.398 . . . . 75.34 110.727 -175.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.2 t -77.88 -27.28 49.65 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-O 119.384 -0.341 . . . . 73.24 111.405 -177.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.5 p -75.76 -34.36 28.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 CA-C-N 118.956 0.798 . . . . 75.13 110.616 175.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 35.3 ttm -79.12 -21.63 46.3 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 121.181 0.515 . . . . 75.24 109.764 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 . . . . . 0 N--CA 1.482 1.129 0 C-N-CA 124.916 1.286 . . . . 74.33 110.667 167.877 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.0 t . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.374 0.13 . . . . 73.34 110.744 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 64.9 mmt-85 -68.85 -23.53 64.25 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.918 0.887 . . . . 75.5 112.205 -167.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.4 m -67.11 -53.96 25.86 Favored 'General case' 0 C--O 1.248 0.989 0 C-N-CA 123.275 0.63 . . . . 71.43 109.962 176.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 22.7 mt -60.76 -44.9 98.37 Favored 'Isoleucine or valine' 0 C--N 1.356 0.885 0 CA-C-N 114.937 -1.029 . . . . 75.21 109.179 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -62.46 -41.23 98.62 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 124.289 0.993 . . . . 71.4 111.277 -177.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -64.4 -52.7 56.88 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 123.414 0.446 . . . . 51.4 110.186 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 72.9 mtm -60.41 -51.33 69.94 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 124.03 0.831 . . . . 73.32 111.25 -177.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 37.5 t -62.85 -48.98 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 124.182 0.993 . . . . 71.44 111.372 -177.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.94 -29.33 70.71 Favored 'General case' 0 N--CA 1.482 1.147 0 O-C-N 123.536 0.523 . . . . 64.31 111.009 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.25 -46.81 89.83 Favored Glycine 0 C--N 1.348 1.229 0 O-C-N 123.969 0.793 . . . . 73.31 111.732 173.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -69.83 -30.29 67.75 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.598 0.759 . . . . 71.02 110.758 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.469 HG12 ' HE2' ' A' 1019 ' ' MET . 16.1 mt -64.76 -56.02 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 124.956 1.302 . . . . 64.51 109.838 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -69.84 -31.33 69.14 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 123.411 0.445 . . . . 74.22 110.824 -178.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -59.34 -59.3 5.68 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 123.951 0.782 . . . . 74.53 109.43 174.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.468 ' OG1' HG23 ' A' ' 14' ' ' ILE . 14.0 t -66.37 -43.97 84.45 Favored 'General case' 0 C--O 1.213 -0.839 0 CA-C-O 118.687 -0.673 . . . . 74.25 111.346 -173.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.45 HD22 ' SD ' ' A' 1019 ' ' MET . 90.1 mt -63.52 -34.14 77.13 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.124 0.57 . . . . 74.41 111.593 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -66.57 -55.8 13.73 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.06 0.225 . . . . 71.52 110.657 175.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.497 ' HA ' HD22 ' A' ' 22' ' ' LEU . 67.1 m-80 -61.74 -33.95 74.96 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 123.438 0.461 . . . . 65.13 111.112 -177.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.42 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 39.3 tt0 -78.36 -32.87 49.2 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.436 1.094 . . . . 72.53 111.442 -177.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -66.95 -43.39 83.29 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 109.322 -0.622 . . . . 70.54 109.322 174.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 34.0 mt -65.91 -38.6 89.11 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-N 115.936 -0.575 . . . . 73.53 110.847 174.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.42 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 16.4 mt -59.24 -44.62 92.35 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.626 0.77 . . . . 71.04 110.3 172.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.471 ' HA ' HD22 ' A' 1009 ' ' LEU . 38.7 ttmt -66.07 -44.89 83.18 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 123.768 0.668 . . . . 74.23 110.201 -173.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.76 -45.54 74.55 Favored Glycine 0 C--N 1.352 1.423 0 O-C-N 123.946 0.779 . . . . 52.13 112.935 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.529 HD21 ' HB2' ' A' ' 25' ' ' ALA . 10.1 tt -64.7 -48.14 75.76 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.525 0.73 . . . . 75.02 110.527 -178.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.2 mt -74.57 -23.17 58.72 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.894 0.877 . . . . 75.22 111.504 -178.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.408 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 1.0 OUTLIER -67.51 -50.76 57.37 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 108.074 -1.084 . . . . 65.15 108.074 172.758 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -65.86 -31.41 72.34 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 124.147 0.905 . . . . 74.11 110.902 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -64.37 -54.77 27.64 Favored 'General case' 0 C--N 1.352 0.683 0 N-CA-C 109.316 -0.624 . . . . 74.52 109.316 176.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.501 HD12 ' HB3' ' A' 1005 ' ' LEU . 90.7 mt -64.47 -33.02 74.92 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 123.674 0.609 . . . . 74.3 111.474 179.22 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -63.53 -47.23 82.49 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.737 0.815 . . . . 65.13 110.125 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -64.04 -56.9 11.66 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 115.153 -0.93 . . . . 71.44 109.844 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 96.3 mt -50.99 -40.81 58.85 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 124.393 1.077 . . . . 72.42 111.844 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.3 m . . . . . 0 N--CA 1.47 0.568 0 O-C-N 124.028 0.83 . . . . 73.21 109.99 175.859 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 46.4 ttp . . . . . 0 CA--C 1.544 0.721 0 CA-C-O 120.654 0.264 . . . . 74.53 110.638 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 40.1 p -66.91 -46.02 76.13 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 115.672 -0.694 . . . . 73.13 111.362 -178.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 48.8 m -56.69 -49.76 74.16 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 122.887 0.475 . . . . 72.41 111.356 179.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 60.8 mtt-85 -58.55 -54.9 41.84 Favored 'General case' 0 C--N 1.354 0.761 0 O-C-N 124.191 0.932 . . . . 75.32 110.693 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1005 ' ' LEU . . . . . 0.504 ' HA ' ' HB3' ' A' 1008 ' ' TRP . 63.2 mt -70.28 -29.34 66.08 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 124.048 0.842 . . . . 74.44 112.955 -173.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 41.3 p -72.51 -47.15 50.77 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 118.66 0.664 . . . . 61.44 109.836 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 48.6 ttt85 -60.0 -34.97 74.05 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.666 0.786 . . . . 74.4 110.501 173.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1008 ' ' TRP . . . . . 0.504 ' HB3' ' HA ' ' A' 1005 ' ' LEU . 1.0 OUTLIER -66.08 -48.58 70.52 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 124.815 1.246 . . . . 75.14 109.843 178.753 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1009 ' ' LEU . . . . . 0.471 HD22 ' HA ' ' A' ' 79' ' ' LYS . 88.6 mt -68.13 -33.29 74.22 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 109.493 -0.558 . . . . 73.03 109.493 -176.159 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 95.3 m -60.77 -51.23 70.24 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.16 -1.382 . . . . 73.13 110.075 173.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -68.03 -29.31 68.27 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.612 0.765 . . . . 74.11 110.906 -178.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1012 ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' 1008 ' ' TRP . 20.0 mt -66.53 -43.92 83.86 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 109.305 -0.628 . . . . 72.21 109.305 175.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 19.6 t70 -72.59 -40.9 66.2 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 114.974 -1.012 . . . . 71.42 111.462 -175.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 18.1 m120 -72.24 -33.63 67.67 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.998 0.519 . . . . 73.42 110.556 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1015 ' ' PHE . . . . . 0.418 ' CD2' HG23 ' A' ' 44' ' ' ILE . 26.7 t80 -60.25 -60.46 3.78 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 109.004 -0.739 . . . . 73.3 109.004 170.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1016 ' ' GLU . . . . . 0.415 ' HG3' HD21 ' A' ' 72' ' ' LEU . 54.6 tt0 -50.28 -43.59 53.44 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 124.811 1.319 . . . . 75.44 112.088 -178.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1017 ' ' ALA . . . . . 0.422 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -62.94 -61.68 2.23 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.764 0.665 . . . . 75.2 110.711 179.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -62.27 -36.27 81.54 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.891 0.876 . . . . 74.31 112.536 -175.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1019 ' ' MET . . . . . 0.479 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.5 OUTLIER -79.8 -27.32 40.35 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 110.183 -0.303 . . . . 75.22 110.183 -176.075 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -72.77 -26.86 61.69 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 122.346 0.258 . . . . 73.44 110.614 167.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1021 ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' 1017 ' ' ALA . 95.2 mt -76.19 -19.9 58.0 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.34 0.656 . . . . 72.02 111.713 175.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1022 ' ' LEU . . . . . 0.479 ' HG ' ' HA ' ' A' 1019 ' ' MET . 94.4 mt . . . . . 0 N--CA 1.494 1.733 0 CA-C-O 119.317 -0.373 . . . . 73.44 110.526 169.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.2 p . . . . . 0 CA--C 1.548 0.879 0 CA-C-O 120.692 0.282 . . . . 71.44 111.39 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 m -64.59 -25.88 68.16 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.816 0.846 . . . . 71.44 110.971 179.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 87.3 m -63.96 -55.85 19.48 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.317 1.047 . . . . 75.53 110.488 175.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 71.9 t -59.36 -42.37 87.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 CA-C-N 115.883 -0.599 . . . . 73.42 110.242 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.563 ' HB3' HH11 ' A' ' 10' ' ' ARG . 44.8 mt-10 -56.51 -53.23 59.99 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.749 0.419 . . . . 72.01 111.214 176.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -62.56 -52.9 61.61 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.077 0.951 . . . . 74.14 110.967 -173.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.527 HD11 HG12 ' A' ' 60' ' ' ILE . 53.2 mt -69.73 -38.65 76.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 123.541 0.736 . . . . 72.42 111.356 -174.149 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -75.36 -26.57 58.64 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 122.787 0.435 . . . . 65.14 111.544 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.563 HH11 ' HB3' ' A' ' 6' ' ' GLU . 43.1 mtt85 -72.29 -47.11 52.51 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 119.191 -0.433 . . . . 65.42 109.937 172.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -60.08 -37.78 80.92 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 122.554 0.342 . . . . 72.12 111.115 174.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.437 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 4.7 tp-100 -56.19 -53.95 51.06 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.161 0.984 . . . . 65.3 109.405 174.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -59.21 -42.37 90.8 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 124.145 0.903 . . . . 73.4 111.274 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 10' ' ' ARG . 73.1 mt -66.11 -42.15 90.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 123.502 0.721 . . . . 74.43 110.456 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.17 -43.95 93.55 Favored 'General case' 0 C--O 1.245 0.853 0 C-N-CA 123.217 0.607 . . . . 71.25 111.023 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 91.5 mt -66.74 -47.19 73.03 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.145 -0.934 . . . . 73.21 110.578 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.7 mt -60.18 -50.91 71.81 Favored 'General case' 0 C--O 1.212 -0.912 0 C-N-CA 123.34 0.656 . . . . 74.32 110.056 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.5 t -60.33 -39.28 86.51 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.439 0.696 . . . . 64.21 111.187 -177.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.417 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 9.2 tt0 -64.33 -47.79 78.04 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.582 0.753 . . . . 73.23 110.824 177.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.47 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 68.0 m -60.49 -54.31 47.03 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 115.475 -0.784 . . . . 72.23 110.094 179.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.543 HD21 ' HA ' ' A' ' 33' ' ' LEU . 83.9 mt -56.04 -34.35 65.81 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.247 1.419 . . . . 75.25 111.401 178.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.615 HD21 ' HA ' ' A' ' 74' ' ' ASN . 52.2 tp -63.89 -53.72 46.11 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 123.812 0.695 . . . . 72.55 110.211 177.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 19' ' ' GLN . 16.9 mm-40 -56.05 -43.22 77.69 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 124.15 0.906 . . . . 72.01 110.63 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.494 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 76.7 mt -60.93 -48.04 83.65 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-N 114.136 -1.393 . . . . 73.52 110.667 177.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.461 ' HB3' HD22 ' A' ' 81' ' ' LEU . . . -63.17 -38.34 90.8 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.504 0.722 . . . . 74.34 111.38 -178.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -66.54 -31.39 72.07 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.53 0.732 . . . . 73.45 110.419 177.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 65.8 mtp85 -95.43 -6.33 41.08 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 112.738 0.644 . . . . 75.12 112.738 177.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.36 27.97 41.85 Favored Glycine 0 CA--C 1.537 1.46 0 N-CA-C 115.218 0.847 . . . . 63.12 115.218 175.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.494 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 25.4 mm-40 -89.74 64.86 6.64 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.077 0.951 . . . . 74.32 110.461 178.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.412 ' HH2' HD23 ' A' ' 81' ' ' LEU . 32.1 m95 -63.35 -27.97 69.68 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.985 0.914 . . . . 73.23 112.105 -173.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.22 -45.92 91.55 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.295 1.038 . . . . 71.13 110.93 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.469 HD11 HD22 ' A' ' 24' ' ' LEU . 80.8 mt -72.81 -24.66 60.94 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 115.56 -0.746 . . . . 72.31 111.036 -179.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.543 ' HA ' HD21 ' A' ' 21' ' ' LEU . 11.2 mp -66.05 -46.25 78.5 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 110.11 -0.33 . . . . 75.11 110.11 170.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.5 mt -70.54 -29.98 66.59 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.371 0.668 . . . . 73.23 111.095 -178.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -69.62 -52.19 28.2 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.958 0.903 . . . . 74.13 110.573 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.525 ' HB2' HD22 ' A' ' 21' ' ' LEU . 16.2 mt-30 -87.44 -9.2 55.29 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 114.456 -1.247 . . . . 72.4 111.853 -174.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.442 ' HG3' ' HE3' ' A' 1008 ' ' TRP . 32.2 tt0 -46.15 -58.6 3.5 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.626 1.17 . . . . 64.51 112.132 174.293 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.5 p -54.55 -41.97 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 O-C-N 124.188 0.93 . . . . 72.13 110.928 -178.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.3 m -67.21 -47.91 69.43 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.594 0.758 . . . . 74.23 111.251 -177.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -63.3 -47.24 83.12 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.105 0.962 . . . . 74.53 111.751 -178.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -66.72 -38.56 86.95 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.226 0.61 . . . . 75.32 110.68 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.571 ' HA ' ' HG2' ' A' ' 45' ' ' GLU . 98.5 mt-30 -72.29 -28.3 63.01 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 116.171 -0.468 . . . . 63.34 111.298 177.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.9 m -67.87 -42.19 81.68 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-O 121.099 0.475 . . . . 71.12 109.999 173.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.447 HG21 ' CD2' ' A' 1015 ' ' PHE . 35.6 mt -57.04 -55.96 17.45 Favored 'Isoleucine or valine' 0 C--O 1.244 0.8 0 C-N-CA 124.721 1.209 . . . . 74.52 110.863 176.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.571 ' HG2' ' HA ' ' A' ' 42' ' ' GLN . 12.7 pt-20 -69.03 -33.77 74.15 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.682 -0.69 . . . . 75.02 111.118 -174.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.7 t -74.83 -30.53 61.4 Favored 'General case' 0 C--N 1.361 1.076 0 CA-C-O 118.958 -0.544 . . . . 74.4 111.482 -178.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.9 p -76.05 -38.03 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 CA-C-N 118.831 0.742 . . . . 74.52 110.38 175.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 51.8 ttm -73.08 -20.2 61.01 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.789 -0.641 . . . . 65.33 109.753 177.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 . . . . . 0 C--N 1.352 0.678 0 CA-C-N 115.668 -0.696 . . . . 71.01 110.025 171.306 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.8 t . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 111.507 0.188 . . . . 62.3 111.507 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -56.33 -39.73 73.3 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.198 0.999 . . . . 74.54 112.536 -173.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.9 p -56.1 -57.71 11.03 Favored 'General case' 0 C--O 1.25 1.118 0 O-C-N 123.589 0.556 . . . . 74.13 111.093 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.527 HG12 HD11 ' A' ' 8' ' ' ILE . 68.9 mt -60.65 -45.19 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-N 115.565 -0.743 . . . . 72.0 110.04 178.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -58.92 -43.44 91.11 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 123.667 0.605 . . . . 71.13 111.507 -175.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -74.32 -43.51 56.41 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 122.701 0.401 . . . . 62.04 111.727 -178.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 71.5 mtm -64.21 -54.52 32.26 Favored 'General case' 0 N--CA 1.483 1.214 0 O-C-N 123.228 0.33 . . . . 72.22 110.147 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 37.8 t -57.89 -43.76 85.14 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.572 0 C-N-CA 123.972 0.909 . . . . 71.35 111.165 177.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.12 -33.64 74.86 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-N 117.944 0.338 . . . . 73.3 111.375 177.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.27 -48.47 82.39 Favored Glycine 0 C--N 1.348 1.24 0 O-C-N 123.95 0.781 . . . . 61.31 111.461 175.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -68.93 -30.68 69.18 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.31 0.644 . . . . 71.1 111.442 178.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.493 HG12 ' HE3' ' A' 1019 ' ' MET . 13.5 mt -66.88 -57.59 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.616 1.167 . . . . 74.05 110.263 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -66.39 -33.86 76.66 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 122.496 0.319 . . . . 75.4 111.029 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -60.45 -54.69 42.58 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 123.759 0.662 . . . . 74.14 110.127 175.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.47 ' OG1' HG21 ' A' ' 14' ' ' ILE . 11.3 t -69.57 -35.79 75.69 Favored 'General case' 0 C--O 1.211 -0.947 0 CA-C-O 118.859 -0.591 . . . . 74.2 111.575 -175.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.46 HD21 ' SD ' ' A' 1019 ' ' MET . 69.4 mt -69.57 -36.14 76.01 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.03 0.532 . . . . 74.41 111.465 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -72.8 -47.56 45.56 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.014 0.526 . . . . 73.13 110.585 177.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.615 ' HA ' HD21 ' A' ' 22' ' ' LEU . 93.1 m-20 -59.38 -41.68 89.93 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.343 -0.844 . . . . 73.42 110.312 176.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.479 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 41.0 tt0 -71.26 -35.49 71.4 Favored 'General case' 0 C--O 1.214 -0.804 0 CA-C-N 115.366 -0.834 . . . . 63.13 110.619 179.294 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -58.66 -50.48 73.7 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.271 0.628 . . . . 74.45 110.07 177.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.25 -36.19 81.11 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 114.71 -1.132 . . . . 73.14 110.637 177.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.469 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 8.1 mt -56.52 -63.84 1.06 Allowed 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.511 0.724 . . . . 73.22 110.771 175.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.576 ' HB3' HD13 ' A' 1012 ' ' LEU . 34.3 pttt -73.26 -22.08 60.47 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 118.91 -0.567 . . . . 74.51 112.4 -172.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -69.29 -50.48 32.71 Favored Glycine 0 C--N 1.346 1.139 0 N-CA-C 111.655 -0.578 . . . . 72.15 111.655 172.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.461 HD22 ' HB3' ' A' ' 25' ' ' ALA . 8.3 tt -66.14 -38.9 89.26 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.054 0.941 . . . . 72.54 110.991 178.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.406 HD13 ' HE1' ' A' 1008 ' ' TRP . 28.4 mt -73.86 -29.43 62.1 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.117 0.967 . . . . 70.32 111.016 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.89 -48.51 71.25 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 108.409 -0.96 . . . . 75.35 108.409 172.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -66.66 -29.59 69.65 Favored 'General case' 0 N--CA 1.485 1.31 0 O-C-N 123.728 0.643 . . . . 75.42 111.275 178.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.444 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 19.5 tpt180 -67.6 -55.85 11.76 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 109.255 -0.646 . . . . 75.12 109.255 177.26 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.451 HD12 ' HB3' ' A' 1005 ' ' LEU . 96.1 mt -64.91 -26.78 68.46 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.132 0.573 . . . . 75.23 111.463 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -62.26 -52.83 62.14 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.594 1.158 . . . . 72.44 109.611 173.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -58.89 -54.31 48.58 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 114.691 -1.14 . . . . 74.33 110.399 176.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 98.1 mt -56.55 -44.31 80.78 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.588 1.155 . . . . 71.34 111.92 -176.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 88.7 p . . . . . 0 N--CA 1.474 0.744 0 C-N-CA 122.479 0.312 . . . . 60.23 110.312 -179.921 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 47.9 ttp . . . . . 0 N--CA 1.478 0.939 0 N-CA-C 111.878 0.325 . . . . 74.51 111.878 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 41.3 p -66.26 -51.5 56.84 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 122.768 0.427 . . . . 75.52 110.855 -176.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 98.9 m -53.25 -51.05 63.47 Favored 'General case' 0 C--O 1.251 1.159 0 C-N-CA 123.597 0.759 . . . . 74.43 111.484 178.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 79.0 mtt-85 -58.73 -59.1 5.94 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.325 -0.852 . . . . 72.34 111.276 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1005 ' ' LEU . . . . . 0.546 ' O ' ' HG ' ' A' 1009 ' ' LEU . 56.2 mt -63.25 -33.39 75.4 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 112.529 0.566 . . . . 74.41 112.529 -174.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 38.4 p -68.49 -50.11 54.74 Favored 'General case' 0 N--CA 1.483 1.22 0 CA-C-N 118.35 0.523 . . . . 74.23 111.029 177.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -66.62 -25.59 66.67 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.034 0.445 . . . . 74.25 110.763 177.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1008 ' ' TRP . . . . . 0.542 ' HH2' HD13 ' A' ' 21' ' ' LEU . 1.3 t-105 -67.53 -46.58 72.37 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.928 1.291 . . . . 74.2 110.067 174.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1009 ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' 1005 ' ' LEU . 82.3 mt -67.79 -35.57 78.88 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.953 -0.758 . . . . 72.15 108.953 -177.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 93.3 m -59.28 -48.06 83.05 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 114.307 -1.315 . . . . 71.33 110.864 172.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -69.34 -28.31 66.12 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.513 0.725 . . . . 63.12 111.985 -179.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1012 ' ' LEU . . . . . 0.576 HD13 ' HB3' ' A' ' 79' ' ' LYS . 22.5 mt -73.96 -42.95 59.75 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.07 0.548 . . . . 55.25 110.118 178.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 33.2 t70 -67.32 -39.48 85.86 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 115.503 -0.771 . . . . 75.21 110.099 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 44.4 t30 -61.68 -50.09 73.88 Favored 'General case' 0 C--O 1.25 1.098 0 C-N-CA 123.967 0.907 . . . . 72.31 110.221 177.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1015 ' ' PHE . . . . . 0.447 ' CD2' HG21 ' A' ' 44' ' ' ILE . 25.7 t80 -54.52 -63.22 1.22 Allowed 'General case' 0 C--N 1.356 0.89 0 O-C-N 124.49 1.119 . . . . 75.51 110.017 176.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1016 ' ' GLU . . . . . 0.439 ' HG3' HD23 ' A' ' 72' ' ' LEU . 39.0 tt0 -49.76 -49.38 48.48 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 124.833 1.333 . . . . 73.14 112.248 -175.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -59.42 -60.58 3.62 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 124.061 0.851 . . . . 74.11 111.123 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -69.98 -29.7 66.86 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 112.134 0.42 . . . . 74.25 112.134 -172.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1019 ' ' MET . . . . . 0.577 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.2 OUTLIER -78.45 -28.17 46.57 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 110.168 -0.308 . . . . 73.1 110.168 -178.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -74.81 -27.29 60.24 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 110.03 -0.359 . . . . 61.5 110.03 169.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 96.8 mt -81.37 -13.55 58.2 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.493 0.717 . . . . 72.32 111.962 176.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1022 ' ' LEU . . . . . 0.577 ' HG ' ' HA ' ' A' 1019 ' ' MET . 74.9 mt . . . . . 0 N--CA 1.495 1.823 0 C-N-CA 123.238 0.615 . . . . 75.35 110.229 167.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.6 m . . . . . 0 N--CA 1.484 1.234 0 N-CA-C 112.8 0.667 . . . . 73.43 112.8 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.3 m -59.29 -46.4 88.67 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.779 0.432 . . . . 73.13 110.673 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 96.0 m -63.05 -52.35 63.17 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.391 1.076 . . . . 74.0 112.333 -178.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.1 t -64.4 -46.7 92.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 123.611 0.765 . . . . 70.43 110.088 -174.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -55.96 -56.0 26.01 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 123.435 0.459 . . . . 74.15 111.07 174.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.405 ' CD1' HG21 ' A' ' 64' ' ' VAL . 8.1 t80 -58.21 -58.84 6.69 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 123.889 0.876 . . . . 74.5 111.775 -172.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.532 HD12 HG12 ' A' ' 60' ' ' ILE . 69.3 mt -62.52 -52.79 55.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 123.91 0.884 . . . . 73.1 111.237 -177.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -68.43 -30.03 68.83 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 112.422 0.526 . . . . 71.41 112.422 -171.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.464 ' HD2' HG23 ' A' ' 46' ' ' THR . 84.1 mtm180 -76.31 -47.04 25.0 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-O 119.053 -0.499 . . . . 65.55 110.387 176.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 51.4 m95 -60.67 -37.8 82.77 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-N 118.152 0.433 . . . . 75.45 111.336 176.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -62.21 -47.68 83.35 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.46 1.104 . . . . 64.41 109.834 174.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -60.01 -41.74 92.78 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 124.059 0.849 . . . . 75.11 111.118 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 10' ' ' ARG . 96.3 mt -67.79 -40.17 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.421 1.088 . . . . 74.54 110.35 -179.329 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.16 -47.0 81.59 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.193 0.597 . . . . 72.21 111.187 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.3 mt -69.05 -36.91 78.2 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 114.978 -1.01 . . . . 74.41 111.089 -178.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.9 mt -65.23 -58.42 6.01 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.343 0.657 . . . . 72.4 109.648 177.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.0 p -55.46 -37.82 68.26 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.423 0.689 . . . . 63.42 111.573 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -60.76 -54.43 45.3 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.821 0.849 . . . . 71.54 110.941 175.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.3 m -57.18 -54.84 42.26 Favored 'General case' 0 N--CA 1.481 1.122 0 O-C-N 123.701 0.626 . . . . 73.31 110.658 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.63 HD12 ' HH2' ' A' 1008 ' ' TRP . 35.9 mt -52.6 -37.46 58.18 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.813 1.645 . . . . 74.01 112.213 177.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' A' ' 74' ' ' ASN . 28.7 tp -65.72 -52.14 53.61 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.238 0.615 . . . . 73.55 110.979 177.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -59.85 -39.99 87.03 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 121.846 0.831 . . . . 72.41 110.592 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.517 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 95.5 mt -66.71 -41.14 88.44 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 114.116 -1.402 . . . . 74.42 110.871 177.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.429 ' HB3' HD23 ' A' ' 33' ' ' LEU . . . -64.85 -34.34 78.15 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.115 0.566 . . . . 64.45 111.143 178.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -66.76 -37.4 84.52 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.692 0.797 . . . . 75.43 110.744 174.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.1 mmp_? -79.25 -17.25 55.1 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 112.642 0.608 . . . . 75.24 112.642 174.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.0 17.06 61.93 Favored Glycine 0 C--N 1.343 0.951 0 O-C-N 123.313 0.383 . . . . 51.23 113.302 -177.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.517 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 28.2 mm-40 -72.6 70.62 0.93 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.686 0.794 . . . . 64.42 111.1 174.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.493 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 24.7 m95 -67.48 -37.26 82.63 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.745 -0.661 . . . . 74.52 111.205 -173.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -59.37 -39.44 83.3 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.515 0.726 . . . . 74.21 111.728 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.405 HD11 HD21 ' A' ' 24' ' ' LEU . 75.2 mt -69.52 -32.48 71.35 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.049 -0.523 . . . . 74.2 111.224 178.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.429 HD23 ' HB3' ' A' ' 25' ' ' ALA . 11.2 mp -65.37 -43.36 91.01 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 122.395 0.278 . . . . 71.21 110.624 171.359 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 30' ' ' TRP . 53.5 mt -74.34 -22.47 59.22 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.668 0.787 . . . . 74.35 111.433 -176.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -79.7 -57.17 3.8 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.658 0.783 . . . . 75.31 109.797 176.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.451 ' HB2' HD21 ' A' ' 21' ' ' LEU . 13.7 mt-30 -73.54 -8.82 57.48 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.94 1.296 . . . . 71.11 111.667 -179.431 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.422 ' HA ' ' CZ3' ' A' 1008 ' ' TRP . 46.2 tt0 -44.49 -56.49 4.26 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.672 1.189 . . . . 74.11 112.408 173.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.5 p -59.53 -43.09 90.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-N 115.35 -0.841 . . . . 72.22 110.772 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.3 m -61.66 -45.46 93.94 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.307 0.643 . . . . 54.51 111.75 -177.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -71.13 -49.92 39.01 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.089 -0.96 . . . . 73.24 110.85 -174.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.5 mt -69.2 -29.64 67.66 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 115.968 -0.56 . . . . 73.41 111.825 -177.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -73.58 -39.27 64.78 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.498 0.719 . . . . 73.42 110.179 176.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.1 m -64.86 -40.2 94.77 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 122.655 0.382 . . . . 75.13 110.956 175.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.7 mt -57.59 -50.27 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 124.658 1.183 . . . . 72.32 110.444 173.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -56.19 -56.38 21.68 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 114.72 -1.127 . . . . 72.14 110.844 -179.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.464 HG23 ' HD2' ' A' ' 10' ' ' ARG . 8.0 t -64.42 -38.55 91.41 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 115.932 -0.576 . . . . 75.24 112.067 -175.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.5 p -73.42 -36.45 48.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 CA-C-O 120.709 0.29 . . . . 73.22 111.229 -175.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 54.2 ttm -78.61 -25.73 45.22 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 116.295 -0.412 . . . . 73.32 110.376 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 . . . . . 0 CA--C 1.553 1.09 0 N-CA-C 109.432 -0.581 . . . . 73.02 109.432 177.039 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.425 HG21 HD12 ' A' ' 60' ' ' ILE . 4.9 t . . . . . 0 N--CA 1.479 1.002 0 CA-C-O 120.537 0.208 . . . . 74.34 111.303 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -66.15 -45.28 81.54 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.349 1.06 . . . . 74.22 112.732 -164.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.6 m -61.19 -47.72 84.84 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-O 121.128 0.49 . . . . 72.23 111.326 -177.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.532 HG12 HD12 ' A' ' 8' ' ' ILE . 71.4 mt -61.82 -53.37 48.97 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 CA-C-N 114.961 -1.018 . . . . 74.35 109.871 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -59.56 -35.71 74.77 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 124.11 0.882 . . . . 74.33 111.628 -177.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -68.16 -55.54 11.99 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.465 0.706 . . . . 72.43 110.475 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 75.8 mtm -59.54 -44.95 93.07 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 123.708 0.63 . . . . 71.41 110.945 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.405 HG21 ' CD1' ' A' ' 7' ' ' PHE . 8.9 t -62.82 -44.76 99.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 124.141 0.977 . . . . 73.24 111.627 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.9 -29.17 69.55 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 120.791 0.329 . . . . 74.11 111.173 178.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.5 -45.34 93.41 Favored Glycine 0 C--N 1.351 1.383 0 CA-C-N 115.423 -0.808 . . . . 74.34 111.257 170.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -68.88 -27.73 66.06 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.771 0.828 . . . . 73.43 111.786 177.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.489 HG12 ' HE1' ' A' 1019 ' ' MET . 17.8 mt -67.2 -57.72 8.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 124.929 1.291 . . . . 73.33 109.853 178.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -67.08 -30.92 71.09 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-O 120.768 0.318 . . . . 74.03 110.588 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -60.06 -57.2 13.88 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-N 115.251 -0.886 . . . . 71.42 110.129 176.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.42 ' OG1' HG23 ' A' ' 14' ' ' ILE . 9.3 t -69.05 -35.74 76.9 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-N 115.407 -0.815 . . . . 73.41 111.525 -174.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.469 HD23 ' HG3' ' A' 1016 ' ' GLU . 65.3 mt -65.94 -38.54 88.89 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 123.601 0.563 . . . . 74.53 111.828 179.149 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -74.65 -42.46 58.48 Favored 'General case' 0 N--CA 1.485 1.325 0 O-C-N 123.122 0.264 . . . . 72.15 111.182 178.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.469 ' HA ' HD23 ' A' ' 22' ' ' LEU . 91.6 m-20 -60.22 -42.27 94.81 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.487 0.715 . . . . 72.32 110.576 175.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.576 ' HG2' ' HE2' ' A' ' 79' ' ' LYS . 35.4 tt0 -75.58 -30.57 59.67 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 114.839 -1.073 . . . . 72.43 110.554 -178.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -62.03 -47.2 85.8 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-O 121.521 0.677 . . . . 73.43 109.55 174.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 73.8 mt -67.66 -34.38 76.81 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 114.32 -1.309 . . . . 74.55 111.152 178.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.409 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 15.0 mt -60.62 -57.7 11.61 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.469 0.707 . . . . 72.12 110.309 171.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.576 ' HE2' ' HG2' ' A' ' 75' ' ' GLU . 47.3 mtmt -59.85 -38.64 82.68 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.98 0.912 . . . . 74.32 112.195 -176.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -69.47 -46.76 54.39 Favored Glycine 0 C--N 1.345 1.048 0 O-C-N 123.612 0.57 . . . . 70.3 112.77 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.2 tt -59.42 -58.94 6.43 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.971 0.908 . . . . 74.11 109.36 178.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.99 -30.79 71.87 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.68 1.192 . . . . 75.25 112.001 -177.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -62.05 -51.33 68.39 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 109.604 -0.517 . . . . 73.33 109.604 173.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -64.25 -43.09 95.97 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 124.11 0.881 . . . . 72.23 111.175 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -70.63 -43.9 68.3 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.134 0.574 . . . . 73.54 110.847 -173.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.512 HD11 ' HB3' ' A' 1005 ' ' LEU . 86.9 mt -67.23 -32.12 72.93 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 122.528 0.331 . . . . 72.42 110.839 175.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -59.92 -51.58 69.09 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.588 0.755 . . . . 73.02 110.13 174.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -61.91 -53.05 61.13 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.526 1.13 . . . . 73.34 110.352 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.653 HD12 ' SD ' ' A' 1001 ' ' MET . 95.3 mt -57.21 -42.97 82.33 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.644 1.177 . . . . 74.41 111.968 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.2 m . . . . . 0 N--CA 1.487 1.384 0 C-N-CA 122.371 0.268 . . . . 72.1 111.356 177.971 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1001 ' ' MET . . . . . 0.653 ' SD ' HD12 ' A' ' 89' ' ' LEU . 31.6 ttm . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 121.097 0.475 . . . . 63.12 111.126 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 75.1 p -70.19 -54.18 13.94 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.284 -0.871 . . . . 71.21 111.137 -172.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 15.1 t -57.38 -46.13 83.73 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 118.021 0.373 . . . . 75.21 111.167 -174.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 81.5 mtt-85 -62.01 -57.79 10.32 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 116.182 -0.463 . . . . 74.54 110.501 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1005 ' ' LEU . . . . . 0.529 ' O ' ' HG ' ' A' 1009 ' ' LEU . 61.7 mt -65.67 -24.34 66.99 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 124.107 0.879 . . . . 75.41 112.941 -173.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 65.7 p -79.41 -44.21 21.87 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-N 118.856 0.753 . . . . 62.43 111.011 176.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 61.2 mtp85 -62.45 -34.32 76.57 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 121.728 0.775 . . . . 65.13 110.07 173.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1008 ' ' TRP . . . . . 0.63 ' HH2' HD12 ' A' ' 21' ' ' LEU . 17.4 t-105 -62.58 -55.27 28.73 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.821 1.649 . . . . 73.54 110.056 174.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1009 ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' 1005 ' ' LEU . 51.8 mt -60.69 -38.38 84.8 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.074 0.55 . . . . 75.2 112.008 -176.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 12.2 t -74.5 -32.32 62.49 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-O 119.397 -0.335 . . . . 74.52 110.859 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -70.49 -33.09 70.84 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.522 0.329 . . . . 74.32 111.324 175.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1012 ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' 1008 ' ' TRP . 20.9 mt -70.99 -47.33 59.45 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.811 0.844 . . . . 74.43 110.145 178.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 13.0 t70 -62.16 -41.55 98.41 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 114.953 -1.021 . . . . 74.12 109.757 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 8.7 t30 -62.83 -44.26 96.6 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.993 0.917 . . . . 73.34 111.085 176.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 27.9 t80 -57.76 -56.07 26.73 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 123.583 0.552 . . . . 74.41 109.999 176.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1016 ' ' GLU . . . . . 0.469 ' HG3' HD23 ' A' ' 72' ' ' LEU . 38.3 tt0 -51.71 -45.51 63.57 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 124.445 1.091 . . . . 74.52 111.757 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1017 ' ' ALA . . . . . 0.426 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -63.5 -60.06 3.84 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 123.884 0.74 . . . . 74.14 111.817 -178.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -61.39 -35.15 76.7 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.494 0.718 . . . . 73.32 111.762 -175.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1019 ' ' MET . . . . . 0.657 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.0 OUTLIER -81.3 -25.35 36.55 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.988 -0.551 . . . . 73.55 110.883 -176.183 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -75.77 -24.18 56.0 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.489 0.316 . . . . 64.43 110.616 167.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1021 ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' 1017 ' ' ALA . 77.4 mt -80.01 -20.93 44.26 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-O 118.432 -0.794 . . . . 74.11 111.782 176.306 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1022 ' ' LEU . . . . . 0.657 ' HG ' ' HA ' ' A' 1019 ' ' MET . 85.9 mt . . . . . 0 N--CA 1.501 2.077 0 C-N-CA 123.72 0.808 . . . . 72.22 111.847 173.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.5 ' O ' ' HB2' ' A' ' 6' ' ' GLU . 13.1 t . . . . . 0 CA--C 1.546 0.789 0 N-CA-C 112.386 0.513 . . . . 74.54 112.386 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.5 m -76.06 -29.52 58.04 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 122.79 0.436 . . . . 65.3 111.485 -178.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 87.5 m -63.95 -58.6 6.24 Favored 'General case' 0 C--O 1.246 0.914 0 C-N-CA 123.49 0.716 . . . . 71.1 110.172 175.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.5 p -65.27 -30.73 51.16 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 CA-C-N 116.016 -0.538 . . . . 72.52 110.644 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.5 ' HB2' ' O ' ' A' ' 2' ' ' THR . 9.0 tp10 -59.43 -55.54 33.41 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.72 0.808 . . . . 74.34 110.432 175.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -60.63 -54.93 39.42 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 114.406 -1.27 . . . . 74.42 110.266 -175.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 64.0 mt -63.1 -43.34 98.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 115.524 -0.762 . . . . 75.35 111.558 -175.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.471 ' HB3' ' NH1' ' A' ' 13' ' ' ARG . 0.9 OUTLIER -71.59 -33.77 69.31 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 122.271 0.228 . . . . 70.25 111.55 -176.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.457 ' O ' HG13 ' A' ' 14' ' ' ILE . 99.2 mtt180 -63.51 -53.12 56.88 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 109.07 -0.715 . . . . 74.15 109.07 174.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -55.03 -35.69 64.72 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 123.697 0.623 . . . . 74.14 112.122 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -59.2 -55.73 31.25 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.669 0.788 . . . . 72.45 110.296 175.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.471 ' NH1' ' HB3' ' A' ' 9' ' ' ASN . 5.2 mpt_? -67.68 -28.44 67.69 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 116.034 -0.53 . . . . 75.53 111.817 -177.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 10' ' ' ARG . 92.0 mt -70.63 -39.11 75.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 123.049 0.54 . . . . 74.32 109.818 177.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.48 -43.13 86.24 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 115.701 -0.681 . . . . 72.23 110.668 176.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.13 -42.58 96.78 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 115.345 -0.843 . . . . 71.53 110.506 176.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 36.6 mt -64.27 -51.75 62.04 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.479 0.712 . . . . 71.32 110.094 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.0 p -59.66 -38.94 82.82 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.168 0.587 . . . . 72.13 111.131 -177.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -63.8 -48.66 75.99 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.737 0.815 . . . . 73.51 111.715 175.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.409 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 70.1 m -66.7 -43.48 84.23 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.155 0.582 . . . . 63.44 110.946 -177.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.533 HD21 HD12 ' A' ' 24' ' ' LEU . 96.2 mt -67.76 -31.41 71.29 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.835 1.254 . . . . 70.13 110.141 178.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.413 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 43.4 tp -61.99 -50.14 73.24 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-N 115.717 -0.674 . . . . 71.53 110.232 173.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -61.48 -36.94 81.86 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 123.8 0.688 . . . . 75.23 111.339 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.533 HD12 HD21 ' A' ' 21' ' ' LEU . 98.5 mt -61.41 -45.15 95.53 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.877 -0.416 . . . . 75.34 109.877 176.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.419 ' HB2' HD21 ' A' ' 81' ' ' LEU . . . -67.93 -32.1 72.32 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.027 0.531 . . . . 75.32 112.127 179.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 83.0 mm-40 -67.22 -36.66 82.15 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.445 0.698 . . . . 73.01 111.056 176.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -85.43 -25.3 27.06 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 122.774 0.43 . . . . 74.24 111.419 177.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.63 15.75 42.12 Favored Glycine 0 C--N 1.343 0.925 0 CA-C-N 116.416 -0.357 . . . . 41.55 113.985 -175.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -73.59 78.74 1.48 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 123.72 0.808 . . . . 73.41 110.532 175.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.452 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 12.2 m95 -75.96 -30.03 58.48 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.351 0.66 . . . . 74.14 111.684 -176.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -64.63 -49.76 69.79 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.115 0.566 . . . . 74.35 111.496 -176.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 89.3 mt -67.44 -29.84 69.41 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 115.695 -0.684 . . . . 74.22 110.791 175.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.409 HD12 HD22 ' A' ' 21' ' ' LEU . 18.2 tp -64.83 -41.94 95.33 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.154 0.582 . . . . 64.12 110.13 176.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.534 HD23 ' HG ' ' A' 1005 ' ' LEU . 86.3 mt -72.02 -35.48 69.42 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.046 0.938 . . . . 75.42 111.208 179.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -65.19 -48.8 72.17 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 121.651 0.739 . . . . 74.41 110.749 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.416 ' HB2' HD23 ' A' ' 21' ' ' LEU . 12.0 mt-30 -89.76 -9.08 50.67 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.738 1.215 . . . . 74.23 112.333 -175.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -43.92 -58.75 2.6 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.256 1.023 . . . . 74.11 111.259 169.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.3 p -58.03 -36.31 56.03 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.904 0 CA-C-N 115.091 -0.959 . . . . 73.33 111.79 -178.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.7 m -68.14 -42.6 79.89 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.169 0.588 . . . . 62.43 111.339 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -68.09 -46.65 70.4 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.546 0.738 . . . . 73.13 111.099 -179.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.7 mt -69.18 -29.55 67.57 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 123.385 0.674 . . . . 74.3 110.814 -178.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -67.59 -45.98 73.95 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.664 0.785 . . . . 74.32 110.852 173.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.3 m -62.62 -41.9 99.27 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.495 0.718 . . . . 75.21 111.244 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 25.1 mt -57.29 -51.77 65.22 Favored 'Isoleucine or valine' 0 C--O 1.25 1.083 0 C-N-CA 124.934 1.294 . . . . 75.04 110.82 173.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -56.73 -54.67 43.55 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.956 -1.02 . . . . 72.41 111.043 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.7 t -67.28 -37.26 83.14 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 115.86 -0.609 . . . . 74.11 111.46 -173.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.7 p -69.61 -36.21 69.71 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 CA-C-N 118.292 0.496 . . . . 65.31 110.695 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 42.3 ttm -73.22 -31.02 63.9 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 116.371 -0.377 . . . . 73.44 110.519 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 . . . . . 0 CA--C 1.55 0.95 0 C-N-CA 123.265 0.626 . . . . 72.23 110.514 173.536 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.0 t . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 111.571 0.211 . . . . 71.51 111.571 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -57.55 -42.75 83.6 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.696 1.198 . . . . 74.12 111.829 -176.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.5 m -55.27 -58.13 8.96 Favored 'General case' 0 C--O 1.25 1.09 0 O-C-N 123.571 0.544 . . . . 74.05 111.252 -178.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 53.8 mt -62.79 -50.13 80.93 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 CA-C-N 114.96 -1.018 . . . . 74.23 109.713 -177.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.9 tm0? -52.66 -47.71 66.94 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 124.329 1.018 . . . . 70.15 110.558 -177.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -69.06 -47.84 64.31 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.169 0.988 . . . . 71.24 111.736 -174.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 77.4 mtm -63.41 -49.16 74.85 Favored 'General case' 0 C--O 1.255 1.376 0 CA-C-O 121.402 0.62 . . . . 74.21 110.583 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.1 t -57.62 -41.56 79.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 CA-C-N 114.694 -1.139 . . . . 63.32 111.008 174.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.439 ' O ' ' HG2' ' A' ' 69' ' ' LYS . . . -64.22 -33.94 76.96 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 123.495 0.497 . . . . 61.21 111.076 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.96 -52.06 54.68 Favored Glycine 0 C--N 1.353 1.517 0 N-CA-C 110.777 -0.929 . . . . 72.23 110.777 173.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -63.26 -29.48 70.8 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 114.925 -0.637 . . . . 74.14 112.564 177.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.444 HG12 ' HE3' ' A' 1019 ' ' MET . 19.8 mt -67.45 -44.28 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 124.391 1.076 . . . . 64.25 110.279 177.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 32.3 mmmt -65.49 -40.85 93.56 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.313 -0.403 . . . . 75.45 110.037 177.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -60.08 -55.35 35.05 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.034 0.533 . . . . 73.14 110.673 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.4 t -65.21 -43.97 89.82 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-O 118.938 -0.553 . . . . 75.25 111.484 -174.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.0 mt -68.72 -30.33 68.95 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 117.991 0.359 . . . . 73.51 111.827 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -70.88 -50.96 29.42 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-O 121.408 0.623 . . . . 73.31 110.326 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -68.32 -34.07 75.45 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 114.635 -1.166 . . . . 74.33 110.532 -177.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.402 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 40.5 tt0 -75.09 -30.67 60.97 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 123.64 0.776 . . . . 74.34 110.92 176.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -65.93 -41.3 91.54 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 121.157 0.503 . . . . 74.52 109.887 174.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 63.3 mt -67.83 -40.25 83.77 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 115.228 -0.897 . . . . 74.31 110.485 175.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 40.4 mt -61.95 -39.62 92.73 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 123.431 0.692 . . . . 75.45 110.98 171.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -63.88 -52.55 59.46 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.434 1.094 . . . . 75.21 109.638 -175.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.46 -51.05 45.54 Favored Glycine 0 C--N 1.348 1.243 0 CA-C-N 114.99 -1.004 . . . . 70.44 113.051 -179.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.419 HD21 ' HB2' ' A' ' 25' ' ' ALA . 9.4 tt -58.06 -51.31 70.22 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.695 0.798 . . . . 74.3 110.332 -177.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.47 HD11 ' HE1' ' A' 1008 ' ' TRP . 27.4 mt -77.56 -23.83 49.97 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.418 0.687 . . . . 73.22 112.412 -173.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -65.76 -53.88 34.63 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 108.708 -0.849 . . . . 64.5 108.708 170.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -59.08 -38.65 79.98 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 114.921 -1.036 . . . . 75.52 111.113 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -73.9 -51.2 16.9 Favored 'General case' 0 C--O 1.213 -0.826 0 CA-C-N 115.411 -0.813 . . . . 74.3 110.317 -172.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.578 HD13 ' HB3' ' A' 1005 ' ' LEU . 71.1 mt -62.37 -41.26 98.49 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 122.67 0.388 . . . . 63.52 111.637 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -61.0 -50.12 74.66 Favored 'General case' 0 C--O 1.247 0.931 0 O-C-N 123.897 0.748 . . . . 75.13 110.52 178.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -57.84 -56.85 16.67 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 115.136 -0.938 . . . . 73.23 110.741 176.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 86.2 mt -57.12 -40.91 78.03 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.434 1.094 . . . . 72.51 111.989 -177.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 32.8 t . . . . . 0 C--O 1.244 0.809 0 C-N-CA 123.171 0.589 . . . . 72.2 110.414 179.601 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 54.9 ttp . . . . . 0 N--CA 1.481 1.107 0 N-CA-C 112.299 0.481 . . . . 74.31 112.299 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 49.3 p -66.37 -53.87 31.01 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 116.26 -0.427 . . . . 65.42 111.599 -175.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 69.5 m -60.2 -41.6 93.33 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.173 0.589 . . . . 62.55 111.291 -177.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.76 -55.35 27.38 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 115.469 -0.787 . . . . 72.13 111.29 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1005 ' ' LEU . . . . . 0.578 ' HB3' HD13 ' A' ' 86' ' ' LEU . 27.4 mt -72.33 -27.41 62.4 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 112.819 0.674 . . . . 74.53 112.819 -174.157 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 41.6 p -77.09 -39.13 50.74 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 118.658 0.663 . . . . 73.15 110.457 176.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -60.02 -41.06 91.38 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 121.221 0.534 . . . . 74.14 109.676 170.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1008 ' ' TRP . . . . . 0.485 ' HB3' ' HA ' ' A' 1005 ' ' LEU . 0.4 OUTLIER -63.5 -45.76 89.21 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 114.486 -1.234 . . . . 75.41 110.315 177.769 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1009 ' ' LEU . . . . . 0.458 HD21 ' HB2' ' A' ' 82' ' ' LEU . 38.5 mt -68.09 -35.15 77.7 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 122.741 0.416 . . . . 74.22 112.075 -177.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 6.9 t -78.66 -23.12 45.9 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 109.984 -0.376 . . . . 75.11 109.984 176.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -77.59 -28.73 51.69 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.381 0.672 . . . . 71.25 111.029 172.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1012 ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' 1008 ' ' TRP . 22.5 mt -70.44 -49.46 48.57 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 108.279 -1.008 . . . . 75.44 108.279 173.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 19.4 t70 -61.18 -32.38 72.12 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 114.076 -1.42 . . . . 74.22 110.844 177.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -71.25 -46.52 60.81 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.062 0.545 . . . . 64.14 110.437 178.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 38.0 t80 -59.66 -57.85 11.14 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.418 0.687 . . . . 75.5 110.175 177.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -42.78 -50.69 5.59 Favored 'General case' 0 C--O 1.242 0.675 0 C-N-CA 125.845 1.658 . . . . 73.42 112.325 172.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1017 ' ' ALA . . . . . 0.412 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -61.24 -61.64 2.41 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 123.933 0.771 . . . . 71.31 111.382 179.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -60.47 -33.99 73.38 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.067 0.947 . . . . 71.31 112.1 -173.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1019 ' ' MET . . . . . 0.741 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 1.9 ptm -87.26 -21.73 25.62 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 116.224 -0.443 . . . . 73.44 111.037 -174.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -78.59 -18.99 53.75 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 110.267 -0.272 . . . . 73.02 110.267 163.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1021 ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' 1017 ' ' ALA . 97.4 mt -87.74 -11.68 47.43 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.814 0.846 . . . . 75.31 111.38 174.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1022 ' ' LEU . . . . . 0.741 ' HG ' ' HA ' ' A' 1019 ' ' MET . 34.8 mt . . . . . 0 N--CA 1.498 1.954 0 C-N-CA 123.178 0.591 . . . . 65.11 111.337 172.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 111.905 0.335 . . . . 64.1 111.905 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 p -62.9 -45.71 91.25 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 122.984 0.514 . . . . 45.13 110.519 177.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 33.7 m -55.39 -54.37 44.55 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 124.583 1.177 . . . . 72.12 111.524 176.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.14 -54.81 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-N 115.339 -0.846 . . . . 72.13 110.862 -174.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -56.15 -53.25 59.32 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 123.725 0.64 . . . . 72.3 110.791 -178.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -60.39 -54.4 46.13 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.594 0.758 . . . . 73.2 111.192 -172.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.508 HD11 HG12 ' A' ' 60' ' ' ILE . 90.1 mt -62.89 -46.38 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 123.388 0.675 . . . . 72.22 111.235 -178.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.77 -36.62 84.91 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 122.871 0.468 . . . . 72.44 111.681 -175.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.476 ' O ' HG13 ' A' ' 14' ' ' ILE . 57.4 mtt180 -73.16 -48.86 31.79 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 123.444 0.465 . . . . 75.2 109.821 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 62.2 m95 -59.65 -40.7 88.58 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 111.955 0.354 . . . . 70.3 111.955 176.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.468 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 51.6 tt0 -59.65 -48.17 82.72 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.379 1.071 . . . . 72.43 109.841 176.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -58.35 -45.59 87.89 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 124.361 1.038 . . . . 73.35 110.856 -179.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.505 HG23 ' OG1' ' A' ' 71' ' ' THR . 75.6 mt -65.92 -38.93 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 123.923 0.889 . . . . 75.21 110.487 -178.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.73 -44.24 86.57 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.165 0.586 . . . . 71.33 111.586 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 85.1 mt -69.75 -43.53 72.07 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 115.58 -0.736 . . . . 74.24 110.467 -178.442 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 69.1 mt -61.31 -51.88 67.01 Favored 'General case' 0 C--O 1.214 -0.811 0 O-C-N 123.944 0.778 . . . . 75.34 110.197 177.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.426 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . 77.6 p -63.38 -35.75 81.43 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.24 0.616 . . . . 72.34 111.806 -177.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -62.78 -52.04 64.73 Favored 'General case' 0 C--O 1.251 1.132 0 C-N-CA 123.216 0.606 . . . . 74.34 110.269 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.526 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 50.4 m -55.31 -55.14 34.91 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 124.461 1.101 . . . . 75.44 110.1 176.224 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.561 HD23 ' HB2' ' A' ' 36' ' ' GLN . 85.7 mt -60.74 -32.65 71.92 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.365 1.466 . . . . 70.05 111.619 -176.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.708 HD21 ' HA ' ' A' ' 74' ' ' ASN . 37.4 tp -64.75 -54.04 37.72 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 109.335 -0.616 . . . . 75.11 109.335 176.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -57.32 -36.82 71.58 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 124.276 0.985 . . . . 74.11 111.028 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 20' ' ' SER . 95.7 mt -64.97 -45.22 86.59 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.421 0.688 . . . . 74.04 110.747 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.469 ' HB3' HD23 ' A' ' 81' ' ' LEU . . . -67.78 -34.7 77.3 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 122.813 0.445 . . . . 74.11 111.2 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -70.14 -28.15 65.13 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 124.007 0.923 . . . . 72.05 111.072 174.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.6 mtp180 -104.14 8.66 36.39 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 124.004 0.921 . . . . 75.44 112.254 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.7 20.26 77.23 Favored Glycine 0 C--N 1.351 1.408 0 N-CA-C 115.258 0.863 . . . . 62.24 115.258 173.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.508 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 41.9 mm-40 -81.53 68.27 7.81 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.939 0.895 . . . . 74.5 109.965 174.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -68.31 -30.31 69.27 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.307 0.643 . . . . 74.14 110.658 -176.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -62.84 -47.85 81.63 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.073 0.949 . . . . 74.32 110.576 176.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.2 mt -70.85 -24.46 62.53 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 115.583 -0.735 . . . . 74.41 111.53 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 78.4 mt -63.4 -54.87 29.89 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 109.096 -0.705 . . . . 72.51 109.096 169.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.423 ' HB3' HH11 ' A' 1004 ' ' ARG . 89.8 mt -66.92 -21.52 65.99 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.749 0.82 . . . . 72.02 112.272 -177.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -71.93 -58.0 3.82 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.535 0.734 . . . . 75.2 110.239 175.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.561 ' HB2' HD23 ' A' ' 21' ' ' LEU . 12.1 mt-30 -87.19 -9.04 56.2 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.602 1.161 . . . . 72.43 112.132 -173.073 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -47.03 -54.86 9.31 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 125.292 1.437 . . . . 72.41 112.088 176.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.4 p -56.15 -43.07 75.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 O-C-N 123.841 0.713 . . . . 74.42 111.57 178.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.5 m -63.77 -40.94 97.92 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.707 0.803 . . . . 63.32 111.168 -178.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.426 ' CE2' ' HB3' ' A' ' 18' ' ' SER . 48.1 t80 -69.46 -47.35 64.26 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.11 -0.95 . . . . 73.41 111.57 -177.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.412 HD11 ' HA ' ' A' 1008 ' ' TRP . 46.0 mt -70.72 -28.75 64.96 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 116.179 -0.464 . . . . 64.22 110.647 -178.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -71.13 -43.98 66.5 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.745 0.818 . . . . 75.53 110.677 176.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.437 ' HA ' HG22 ' A' ' 46' ' ' THR . 46.7 p -67.01 -37.45 84.2 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.677 0.391 . . . . 73.43 110.895 178.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 26.5 mt -57.1 -51.7 65.66 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 124.35 1.06 . . . . 71.31 110.575 171.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -57.28 -46.46 83.1 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 114.745 -1.116 . . . . 72.24 111.038 -177.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.437 HG22 ' HA ' ' A' ' 43' ' ' SER . 7.5 t -78.88 -25.85 43.92 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 115.575 -0.739 . . . . 74.45 112.086 -173.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.1 p -76.51 -35.51 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 CA-C-N 118.649 0.659 . . . . 74.42 110.149 176.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 33.7 ttm -75.73 -27.82 58.29 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.635 -0.712 . . . . 71.42 109.463 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 . . . . . 0 CA--C 1.549 0.912 0 C-N-CA 124.291 1.036 . . . . 73.42 111.094 169.857 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.8 p . . . . . 0 CA--C 1.549 0.908 0 N-CA-C 111.931 0.345 . . . . 72.45 111.931 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -56.07 -52.31 64.71 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.712 1.205 . . . . 71.42 113.019 -175.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.4 m -63.74 -47.26 81.76 Favored 'General case' 0 C--O 1.246 0.885 0 O-C-N 123.864 0.728 . . . . 75.21 111.404 -173.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.508 HG12 HD11 ' A' ' 8' ' ' ILE . 64.2 mt -60.2 -56.01 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 O-C-N 123.809 0.693 . . . . 73.32 109.694 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -57.6 -41.16 80.66 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 124.062 0.852 . . . . 72.34 110.768 -176.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -66.88 -53.99 26.73 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.606 0.762 . . . . 71.31 110.817 -176.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 71.9 mtm -63.14 -44.43 95.58 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 123.842 0.713 . . . . 74.32 110.728 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.0 t -61.93 -39.6 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 123.817 0.847 . . . . 74.04 110.862 177.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.98 -33.99 77.37 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 123.36 0.413 . . . . 51.31 110.558 176.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.23 -47.19 90.19 Favored Glycine 0 C--N 1.353 1.485 0 O-C-N 123.948 0.78 . . . . 73.22 111.486 172.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -63.65 -33.56 75.91 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.564 0.746 . . . . 74.42 111.228 178.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.403 HG12 ' HE3' ' A' 1019 ' ' MET . 24.6 mt -68.77 -46.83 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 124.922 1.289 . . . . 75.23 110.39 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -61.13 -46.35 90.92 Favored 'General case' 0 C--O 1.252 1.196 0 C-N-CA 122.984 0.514 . . . . 75.05 110.398 177.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -56.57 -60.05 4.1 Favored 'General case' 0 C--N 1.356 0.862 0 O-C-N 124.447 1.092 . . . . 74.11 110.233 178.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.505 ' OG1' HG23 ' A' ' 14' ' ' ILE . 11.1 t -68.75 -38.13 79.9 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 123.495 0.497 . . . . 74.23 112.305 -169.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 39.9 mt -67.16 -41.12 86.56 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 123.349 0.405 . . . . 73.21 111.601 178.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -73.38 -39.92 64.75 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 120.638 0.256 . . . . 74.43 111.333 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.708 ' HA ' HD21 ' A' ' 22' ' ' LEU . 94.3 m-20 -59.43 -48.21 82.5 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.944 0.898 . . . . 73.2 110.337 174.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -68.95 -32.43 72.03 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.824 1.25 . . . . 75.21 111.077 -179.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -63.36 -48.3 78.49 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.467 0.707 . . . . 75.43 109.887 177.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 96.5 mt -67.13 -38.84 86.27 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 115.193 -0.912 . . . . 75.12 110.791 177.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 25.5 mt -57.7 -44.21 85.73 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.972 0.909 . . . . 74.21 111.083 172.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -65.7 -52.75 48.91 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.142 0.977 . . . . 75.2 108.741 -173.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.54 -44.49 95.06 Favored Glycine 0 C--N 1.354 1.552 0 O-C-N 124.204 0.94 . . . . 72.12 113.471 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.469 HD23 ' HB3' ' A' ' 25' ' ' ALA . 10.4 tt -61.95 -56.44 19.15 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.789 0.835 . . . . 72.13 109.994 -178.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 23.9 mt -67.79 -25.09 65.42 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.978 0.911 . . . . 64.42 111.933 -177.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 -67.85 -54.34 19.7 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 123.13 0.269 . . . . 71.12 110.37 174.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.461 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 25.4 mt-30 -63.78 -26.44 68.64 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 123.83 0.707 . . . . 72.24 111.492 176.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -74.95 -50.2 17.5 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 109.054 -0.721 . . . . 73.34 109.054 -177.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.504 HD22 HD13 ' A' ' 89' ' ' LEU . 97.6 mt -66.32 -27.72 68.12 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.329 0.652 . . . . 74.41 111.068 176.102 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -61.37 -55.25 33.69 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.093 0.957 . . . . 72.34 109.931 174.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 84' ' ' GLN . 50.9 mt-10 -54.81 -47.77 73.61 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 115.11 -0.95 . . . . 74.04 110.594 177.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.504 HD13 HD22 ' A' ' 86' ' ' LEU . 96.3 mt -56.79 -43.42 80.89 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 124.174 0.921 . . . . 75.43 111.568 178.119 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.5 m . . . . . 0 N--CA 1.485 1.278 0 C-N-CA 122.872 0.469 . . . . 74.4 111.22 177.861 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 44.3 ttp . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 111.219 0.081 . . . . 74.01 111.219 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 32.6 p -65.51 -44.32 87.37 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 112.126 0.417 . . . . 53.22 112.126 -175.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 42.8 p -69.84 -42.27 73.81 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.358 0.263 . . . . 75.02 110.893 -177.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1004 ' ' ARG . . . . . 0.423 HH11 ' HB3' ' A' ' 34' ' ' LEU . 95.4 mtt180 -60.22 -48.59 81.09 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 123.751 0.657 . . . . 74.52 110.68 177.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1005 ' ' LEU . . . . . 0.539 ' HA ' ' HB3' ' A' 1008 ' ' TRP . 54.0 mt -73.94 -29.42 62.01 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 123.801 0.688 . . . . 70.52 112.502 -175.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 32.2 p -74.38 -39.59 62.62 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 118.593 0.633 . . . . 55.0 110.522 176.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 40.3 mmm-85 -64.08 -37.6 88.04 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-O 121.157 0.503 . . . . 71.22 110.187 171.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1008 ' ' TRP . . . . . 0.539 ' HB3' ' HA ' ' A' 1005 ' ' LEU . 1.6 t-105 -61.88 -49.33 76.66 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 114.72 -1.127 . . . . 74.03 110.258 177.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1009 ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' 1005 ' ' LEU . 80.2 mt -70.75 -35.24 72.57 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 109.175 -0.676 . . . . 75.34 109.175 -175.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 21.6 m -57.65 -47.09 83.23 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.366 1.067 . . . . 72.14 110.436 173.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -73.1 -28.4 62.25 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.283 0.633 . . . . 74.51 111.499 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1012 ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' 1008 ' ' TRP . 15.9 mt -66.36 -52.69 44.37 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 121.338 0.59 . . . . 71.2 109.686 175.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 23.8 t70 -64.35 -38.61 91.64 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 114.463 -1.244 . . . . 75.45 110.553 -176.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 55.1 t30 -67.21 -44.07 80.46 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 115.655 -0.702 . . . . 70.52 110.745 178.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 45.1 t80 -61.3 -60.52 3.61 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 123.715 0.634 . . . . 73.11 109.846 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -46.53 -50.72 16.76 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.872 1.269 . . . . 73.11 112.22 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -60.22 -59.92 4.65 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 124.09 0.869 . . . . 52.13 111.711 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -63.36 -37.19 86.29 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.987 0.915 . . . . 73.43 111.789 -174.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1019 ' ' MET . . . . . 0.513 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.3 OUTLIER -81.26 -22.25 38.83 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.816 -0.629 . . . . 75.33 110.813 -175.569 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -70.22 -36.66 74.7 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 109.546 -0.539 . . . . 64.14 109.546 166.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.55 -25.88 66.03 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.553 0.741 . . . . 71.31 111.787 176.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1022 ' ' LEU . . . . . 0.513 ' HG ' ' HA ' ' A' 1019 ' ' MET . 85.6 mt . . . . . 0 N--CA 1.495 1.787 0 C-N-CA 123.109 0.563 . . . . 73.55 111.358 170.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.4 p . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 112.83 0.678 . . . . 74.05 112.83 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 m -63.49 -37.04 85.77 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.188 0.595 . . . . 74.05 111.58 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.6 m -63.76 -55.6 21.9 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.137 0.975 . . . . 70.43 111.15 178.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 75.5 t -57.57 -49.01 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 O-C-N 123.647 0.592 . . . . 74.12 110.084 178.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.406 ' HG3' ' CZ ' ' A' ' 10' ' ' ARG . 8.6 tp10 -53.73 -50.53 65.76 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.25 1.02 . . . . 73.03 111.645 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -68.37 -55.2 12.8 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.776 0.83 . . . . 75.22 111.007 -174.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.617 HD13 HG12 ' A' ' 60' ' ' ILE . 84.6 mt -61.1 -42.31 92.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 123.959 0.904 . . . . 55.4 111.278 -178.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -74.36 -34.43 63.38 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.8 0.44 . . . . 73.11 111.232 -174.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.464 ' O ' HG13 ' A' ' 14' ' ' ILE . 82.5 mtm180 -66.65 -46.28 76.23 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 119.274 -0.393 . . . . 74.55 110.108 173.185 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 57.9 m95 -64.16 -33.25 75.35 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 123.134 0.271 . . . . 75.02 111.684 177.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -67.12 -40.41 86.83 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.591 0.756 . . . . 71.32 109.206 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -66.21 -42.61 88.52 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.346 -0.843 . . . . 73.54 110.369 178.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 10' ' ' ARG . 84.3 mt -68.96 -33.93 61.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.79 0.836 . . . . 74.03 110.111 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.83 -52.03 58.91 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.326 0.65 . . . . 53.2 110.328 176.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.6 mt -61.02 -44.39 97.48 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 124.285 0.991 . . . . 75.44 110.749 178.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 66.6 mt -61.56 -50.66 71.74 Favored 'General case' 0 C--O 1.211 -0.946 0 C-N-CA 123.218 0.607 . . . . 55.24 110.157 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 85.7 p -63.34 -43.79 96.71 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.162 0.585 . . . . 74.2 112.222 -175.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -71.0 -38.59 72.67 Favored 'General case' 0 C--O 1.247 0.964 0 O-C-N 123.417 0.448 . . . . 71.11 111.197 -178.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.513 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 70.4 m -64.8 -40.9 95.98 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 122.822 0.449 . . . . 73.2 110.069 174.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.596 HD11 ' HH2' ' A' 1008 ' ' TRP . 41.0 mt -65.23 -34.85 79.33 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.892 0.877 . . . . 73.4 110.492 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.2 tp -67.17 -39.62 86.5 Favored 'General case' 0 C--N 1.349 0.571 0 N-CA-C 109.77 -0.456 . . . . 75.31 109.77 176.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -58.85 -45.49 89.99 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 123.655 0.597 . . . . 71.32 110.337 173.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 20' ' ' SER . 75.9 mt -63.63 -41.1 98.29 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.095 0.958 . . . . 73.5 111.359 -178.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.491 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -70.75 -46.66 62.57 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.08 0.552 . . . . 72.24 111.314 -177.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -66.38 -32.79 74.4 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 123.941 0.776 . . . . 73.44 111.429 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -88.85 -22.8 23.01 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.344 0.658 . . . . 74.24 110.181 -177.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.97 16.99 24.23 Favored Glycine 0 C--N 1.354 1.545 0 N-CA-C 115.774 1.07 . . . . 73.03 115.774 173.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -77.78 83.59 4.13 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-N 118.793 1.297 . . . . 74.42 110.009 170.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 39.1 m95 -72.62 -31.06 64.86 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.507 0.723 . . . . 74.11 110.256 178.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -64.17 -43.56 94.78 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.69 0.796 . . . . 75.52 111.203 177.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 76.8 mt -76.69 -21.87 54.74 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 115.967 -0.56 . . . . 75.41 111.244 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.439 HD11 HD23 ' A' ' 82' ' ' LEU . 74.7 mt -63.93 -47.43 80.54 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 109.365 -0.605 . . . . 75.41 109.365 167.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.0 mt -68.7 -29.43 67.87 Favored 'General case' 0 N--CA 1.484 1.256 0 O-C-N 123.777 0.673 . . . . 73.42 112.19 177.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -69.47 -52.64 24.73 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.96 0.504 . . . . 74.11 110.067 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.432 HE21 ' N ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -80.3 -12.67 59.58 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-O 118.668 -0.682 . . . . 73.32 111.34 179.569 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.68 -56.58 6.97 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 124.439 1.096 . . . . 70.43 111.894 176.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.7 m -61.58 -37.21 77.36 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 CA-C-N 115.361 -0.836 . . . . 75.03 112.001 -178.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.9 m -71.96 -38.97 69.66 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.611 0.765 . . . . 74.44 111.408 -178.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -73.57 -46.15 49.12 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.059 0.944 . . . . 75.42 110.222 -175.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.583 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 78.9 mt -67.07 -39.6 86.89 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.73 -0.668 . . . . 74.12 110.014 178.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -60.43 -46.5 89.83 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 122.903 0.481 . . . . 70.02 111.397 176.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.2 p -63.53 -37.77 88.6 Favored 'General case' 0 C--O 1.25 1.109 0 C-N-CA 123.001 0.52 . . . . 72.31 110.819 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.8 mt -57.99 -47.52 86.43 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 C-N-CA 124.2 1.0 . . . . 73.51 111.026 171.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.583 ' HG2' ' O ' ' A' ' 41' ' ' LEU . 6.3 mm-40 -63.94 -48.93 74.57 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 122.701 0.401 . . . . 72.52 111.015 -176.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.8 t -65.5 -39.8 92.31 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 112.059 0.392 . . . . 74.31 112.059 -177.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 p -74.35 -32.52 31.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 CA-C-N 118.125 0.42 . . . . 73.32 111.368 -177.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.4 ' HE3' ' HA ' ' A' 1015 ' ' PHE . 49.1 ttm -80.1 -21.13 43.61 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.213 0.605 . . . . 73.45 110.534 179.245 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 . . . . . 0 N--CA 1.476 0.839 0 C-N-CA 122.955 0.502 . . . . 73.14 110.283 172.823 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.9 t . . . . . 0 N--CA 1.487 1.397 0 N-CA-C 111.624 0.231 . . . . 72.32 111.624 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.9 mtp-105 -64.15 -23.68 67.41 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 123.582 0.551 . . . . 74.34 112.073 -175.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.3 m -64.93 -59.66 3.93 Favored 'General case' 0 C--O 1.245 0.834 0 C-N-CA 122.566 0.347 . . . . 74.54 110.241 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.617 HG12 HD13 ' A' ' 8' ' ' ILE . 77.8 mt -61.5 -48.81 87.09 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 C-N-CA 123.486 0.714 . . . . 74.35 109.511 179.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -55.27 -44.01 75.23 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.866 0.867 . . . . 73.43 111.873 -178.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -71.02 -47.37 59.06 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 122.877 0.471 . . . . 75.03 111.444 -178.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 75.4 mtm -61.81 -47.53 84.71 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-O 120.88 0.372 . . . . 74.0 110.357 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 39.7 t -64.37 -36.29 76.75 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.929 0 C-N-CA 124.343 1.057 . . . . 74.2 111.1 176.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.46 -27.35 66.09 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 118.394 0.543 . . . . 52.04 111.248 177.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.75 -43.58 59.01 Favored Glycine 0 C--N 1.347 1.185 0 N-CA-C 111.153 -0.779 . . . . 73.44 111.153 171.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -67.69 -27.79 67.13 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.648 0.779 . . . . 75.15 111.323 176.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.479 ' HA ' HG22 ' A' ' 71' ' ' THR . 12.0 mt -75.85 -38.24 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.597 1.159 . . . . 74.25 109.651 178.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.16 -45.77 91.93 Favored 'General case' 0 C--N 1.351 0.631 0 N-CA-C 108.629 -0.878 . . . . 75.43 108.629 172.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -59.12 -54.84 42.46 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 123.979 0.799 . . . . 72.14 110.898 -178.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.479 HG22 ' HA ' ' A' ' 68' ' ' ILE . 8.9 t -61.69 -48.4 80.97 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-O 118.955 -0.545 . . . . 65.43 111.312 -176.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.2 mt -67.75 -38.84 84.03 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 112.761 0.652 . . . . 71.43 112.761 -176.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -73.76 -52.42 13.21 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.105 0.562 . . . . 73.23 110.273 -175.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -65.23 -34.14 77.65 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 115.1 -0.955 . . . . 75.4 111.104 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -75.39 -31.26 60.39 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.237 0.615 . . . . 73.43 111.437 176.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -65.02 -40.57 95.06 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-O 121.429 0.633 . . . . 72.23 109.685 175.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 80.2 mt -71.31 -37.96 71.76 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 115.016 -0.993 . . . . 74.13 111.061 176.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 35.6 mt -58.41 -41.81 85.77 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.233 0.613 . . . . 72.11 110.452 169.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.481 ' HE3' ' O ' ' A' 1009 ' ' LEU . 19.3 tptm -63.44 -50.27 70.43 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 124.383 1.073 . . . . 72.15 109.775 -175.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.97 -54.49 34.69 Favored Glycine 0 C--N 1.346 1.12 0 O-C-N 124.689 1.243 . . . . 72.13 112.818 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.491 HD22 ' HB2' ' A' ' 25' ' ' ALA . 9.7 tt -55.97 -57.79 10.62 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 123.863 0.865 . . . . 73.2 110.755 -178.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.471 HD12 ' HE1' ' A' 1008 ' ' TRP . 44.1 mt -65.2 -32.81 74.67 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.853 0.861 . . . . 74.22 112.334 -173.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -63.11 -49.83 72.87 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 109.682 -0.488 . . . . 74.44 109.682 173.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -65.67 -36.19 82.94 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 123.69 0.619 . . . . 74.22 111.839 -178.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.413 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 11.8 mmm180 -71.74 -48.0 49.99 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 122.792 0.437 . . . . 74.12 110.24 -177.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.522 HD11 ' HB3' ' A' 1005 ' ' LEU . 97.5 mt -63.74 -31.19 72.28 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 122.7 0.4 . . . . 75.24 111.359 176.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -58.84 -55.05 40.17 Favored 'General case' 0 C--O 1.249 1.046 0 C-N-CA 124.008 0.923 . . . . 72.23 109.848 173.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -57.85 -49.68 75.87 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-N 114.659 -1.155 . . . . 75.4 110.904 177.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 91.8 mt -57.42 -45.1 84.98 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 124.179 0.924 . . . . 74.45 111.638 -175.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.9 m . . . . . 0 N--CA 1.476 0.848 0 C-N-CA 122.804 0.441 . . . . 74.51 110.965 177.901 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 58.5 ttp . . . . . 0 CA--C 1.544 0.721 0 N-CA-C 111.223 0.083 . . . . 72.34 111.223 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 42.0 p -69.32 -46.04 68.05 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 118.999 -0.524 . . . . 71.03 111.719 -173.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 63.2 m -64.25 -48.58 75.23 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 118.094 0.406 . . . . 73.42 111.651 -176.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -68.62 -38.26 80.42 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-O 118.677 -0.677 . . . . 62.14 110.974 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1005 ' ' LEU . . . . . 0.522 ' HB3' HD11 ' A' ' 86' ' ' LEU . 40.5 mt -72.91 -32.87 65.63 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-O 118.904 -0.569 . . . . 74.05 112.427 -178.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 40.5 p -72.1 -40.95 67.83 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-N 118.999 0.818 . . . . 64.31 109.764 176.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -63.63 -35.97 82.29 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.669 0.787 . . . . 71.31 110.549 173.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1008 ' ' TRP . . . . . 0.596 ' HH2' HD11 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -66.57 -44.61 81.81 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.179 0.991 . . . . 72.43 109.732 176.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1009 ' ' LEU . . . . . 0.481 ' O ' ' HE3' ' A' ' 79' ' ' LYS . 91.2 mt -66.67 -38.06 86.06 Favored 'General case' 0 C--N 1.358 0.942 0 O-C-N 123.585 0.553 . . . . 73.32 110.605 -178.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 12.9 t -75.26 -23.94 57.55 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 118.489 0.586 . . . . 74.12 110.703 177.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -77.46 -27.53 52.11 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 122.879 0.472 . . . . 72.22 111.3 171.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1012 ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' 1008 ' ' TRP . 34.1 mt -72.06 -39.78 68.78 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 108.773 -0.825 . . . . 74.22 108.773 172.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 11.8 t70 -69.81 -35.61 74.95 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 114.944 -1.025 . . . . 73.45 109.967 -178.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 9.6 t30 -66.58 -46.94 74.34 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 115.272 -0.876 . . . . 75.34 110.535 174.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1015 ' ' PHE . . . . . 0.4 ' HA ' ' HE3' ' A' ' 48' ' ' MET . 54.5 t80 -57.38 -57.38 12.9 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 123.702 0.626 . . . . 72.41 109.876 177.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -42.36 -56.72 2.87 Favored 'General case' 0 CA--C 1.549 0.94 0 O-C-N 125.092 1.495 . . . . 73.13 112.277 174.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1017 ' ' ALA . . . . . 0.422 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -60.26 -60.07 4.4 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.478 0.711 . . . . 73.12 112.021 -178.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1018 ' ' LYS . . . . . 0.425 ' HD3' HD11 ' A' 1021 ' ' LEU . 32.0 mmtp -69.64 -29.18 66.59 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.642 0.777 . . . . 73.3 112.076 -170.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1019 ' ' MET . . . . . 0.573 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.1 OUTLIER -82.5 -26.8 32.21 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 110.395 -0.224 . . . . 71.25 110.395 179.67 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -71.77 -25.47 62.04 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.451 -0.34 . . . . 75.43 110.404 168.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1021 ' ' LEU . . . . . 0.425 HD11 ' HD3' ' A' 1018 ' ' LYS . 93.6 mt -75.36 -31.12 60.43 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 118.591 -0.718 . . . . 73.22 111.315 173.065 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1022 ' ' LEU . . . . . 0.573 ' HG ' ' HA ' ' A' 1019 ' ' MET . 85.4 mt . . . . . 0 N--CA 1.5 2.074 0 C-N-CA 123.183 0.593 . . . . 74.12 111.533 175.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.4 m . . . . . 0 N--CA 1.482 1.167 0 N-CA-C 112.393 0.516 . . . . 75.24 112.393 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.9 m -60.05 -42.66 94.95 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 123.479 0.487 . . . . 75.41 110.496 178.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 93.7 m -57.85 -47.84 81.52 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 124.699 1.2 . . . . 73.55 111.379 177.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 84.1 t -62.46 -58.14 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 123.194 0.598 . . . . 72.41 110.271 -178.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.491 ' HB3' ' NH2' ' A' ' 10' ' ' ARG . 48.9 mt-10 -55.05 -43.63 73.99 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.487 0.715 . . . . 75.23 111.59 -177.136 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -63.93 -60.05 3.75 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 114.844 -1.071 . . . . 74.45 110.788 -176.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.573 HD12 HG12 ' A' ' 60' ' ' ILE . 80.0 mt -65.31 -45.05 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 C-N-CA 123.565 0.746 . . . . 72.44 111.599 -175.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -66.2 -39.29 89.56 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.625 0.77 . . . . 75.33 111.537 -176.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.491 ' NH2' ' HB3' ' A' ' 6' ' ' GLU . 53.1 mtm180 -85.97 -23.36 26.93 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-O 118.574 -0.727 . . . . 74.15 112.42 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 15.6 m95 -64.53 -41.77 96.17 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-N 118.648 0.658 . . . . 72.22 109.225 167.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.44 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 65.1 tt0 -60.53 -46.64 89.42 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 114.907 -1.042 . . . . 73.24 109.889 174.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -59.33 -40.38 86.15 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 123.992 0.808 . . . . 74.42 111.072 -178.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 10' ' ' ARG . 96.4 mt -68.58 -38.3 78.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 123.893 0.877 . . . . 72.54 110.967 178.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.13 -43.1 93.01 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 121.299 0.571 . . . . 45.5 110.804 177.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.611 ' HA ' HE21 ' A' ' 19' ' ' GLN . 84.5 mt -62.8 -49.92 73.06 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.522 1.129 . . . . 75.3 110.057 178.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.9 mt -62.1 -44.45 96.62 Favored 'General case' 0 C--O 1.209 -1.055 0 CA-C-N 115.049 -0.978 . . . . 62.02 111.138 179.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 65.5 p -66.84 -43.57 83.34 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.546 0.338 . . . . 73.14 111.459 -174.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.611 HE21 ' HA ' ' A' ' 16' ' ' LEU . 29.9 pt20 -67.86 -38.26 82.88 Favored 'General case' 0 N--CA 1.484 1.242 0 O-C-N 123.165 0.291 . . . . 71.21 111.067 178.446 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.517 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 73.8 m -60.52 -60.3 4.02 Favored 'General case' 0 C--N 1.356 0.862 0 O-C-N 123.67 0.606 . . . . 63.04 109.935 175.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.586 HD13 ' HH2' ' A' 1008 ' ' TRP . 37.7 mt -56.31 -30.39 62.48 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.798 1.639 . . . . 74.3 111.75 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.472 HD22 ' HA ' ' A' ' 74' ' ' ASN . 53.5 tp -66.56 -51.0 61.25 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 123.7 0.625 . . . . 73.42 110.39 177.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -60.11 -39.66 86.96 Favored 'General case' 0 N--CA 1.484 1.227 0 O-C-N 123.929 0.768 . . . . 73.32 110.598 178.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 20' ' ' SER . 64.8 mt -63.2 -46.02 88.99 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 115.585 -0.734 . . . . 73.5 110.475 179.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.416 ' HB3' HD23 ' A' ' 81' ' ' LEU . . . -61.57 -39.04 89.73 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.527 0.731 . . . . 74.44 111.216 177.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -68.82 -25.77 64.84 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 115.469 -0.787 . . . . 72.32 111.661 176.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -93.03 -1.11 56.91 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 122.986 0.514 . . . . 74.02 112.178 173.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.5 13.94 82.93 Favored Glycine 0 CA--C 1.534 1.281 0 N-CA-C 114.262 0.465 . . . . 62.32 114.262 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -80.36 75.81 7.18 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.612 1.165 . . . . 72.45 110.092 -179.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.4 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 8.5 m95 -70.4 -33.9 71.92 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 122.931 0.492 . . . . 72.22 111.655 -172.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -58.69 -40.01 82.35 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.997 0.919 . . . . 73.24 111.714 -175.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.63 -31.6 71.73 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.345 -0.843 . . . . 73.22 110.894 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.5 mp -70.38 -38.8 74.79 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 122.671 0.389 . . . . 74.03 110.439 172.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 30' ' ' TRP . 75.9 mt -64.44 -34.38 78.07 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.241 0.617 . . . . 74.53 111.048 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -76.45 -56.98 4.13 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.387 1.075 . . . . 74.54 110.918 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.5 ' HB2' HD23 ' A' ' 21' ' ' LEU . 15.4 mt-30 -78.43 -8.24 58.27 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.573 1.149 . . . . 74.21 112.289 -173.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -43.8 -65.74 0.47 Allowed 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 125.095 1.358 . . . . 72.14 112.654 175.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.0 m -65.66 -26.18 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 O-C-N 123.396 0.435 . . . . 73.02 111.922 -173.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.8 m -71.2 -46.72 60.63 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.532 0.733 . . . . 75.15 110.592 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -61.82 -48.66 79.57 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.019 -0.991 . . . . 72.21 110.055 178.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 64.7 mt -71.64 -28.49 63.8 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 115.101 -0.954 . . . . 61.41 111.262 -176.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -67.91 -48.21 66.61 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.014 0.525 . . . . 74.3 110.018 175.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.5 t -61.71 -38.32 87.44 Favored 'General case' 0 CA--C 1.552 1.022 0 O-C-N 124.011 0.82 . . . . 74.01 109.928 179.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.6 mt -56.27 -51.79 59.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 124.775 1.23 . . . . 73.11 110.904 172.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -63.16 -45.49 91.61 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 114.655 -1.157 . . . . 74.22 110.976 -173.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.6 t -76.84 -32.88 57.85 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 115.497 -0.774 . . . . 63.45 112.458 -174.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.8 p -74.15 -35.41 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 CA-C-N 118.051 0.387 . . . . 71.24 110.198 178.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.458 ' SD ' ' HD2' ' A' 1018 ' ' LYS . 56.4 ttm -72.32 -30.1 64.45 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.48 -0.782 . . . . 74.45 109.871 177.361 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 . . . . . 0 CA--C 1.553 1.062 0 CA-C-N 115.725 -0.67 . . . . 64.2 110.715 172.799 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.48 1.067 0 N-CA-C 111.989 0.366 . . . . 71.22 111.989 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -51.5 68.55 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 125.145 1.378 . . . . 73.52 112.968 -173.143 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.4 m -60.12 -52.74 64.06 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 123.557 0.536 . . . . 64.44 111.211 -177.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.573 HG12 HD12 ' A' ' 8' ' ' ILE . 53.1 mt -62.52 -40.4 88.06 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 CA-C-N 115.584 -0.734 . . . . 75.4 110.185 -179.169 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -62.67 -52.47 63.2 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.756 0.422 . . . . 64.31 110.376 -177.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.61 -47.78 80.01 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.655 0.597 . . . . 74.45 111.214 -176.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 73.1 mtm -62.98 -60.17 3.82 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 123.349 0.405 . . . . 73.41 111.066 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.3 t -55.77 -44.75 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 123.765 0.826 . . . . 75.24 111.626 -178.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.59 -35.27 80.33 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 122.68 0.392 . . . . 74.11 111.406 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.85 -40.02 96.99 Favored Glycine 0 C--N 1.348 1.202 0 O-C-N 123.578 0.549 . . . . 71.45 112.148 175.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -73.21 -35.72 66.37 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.34 0.656 . . . . 72.53 110.658 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 37.6 mt -66.37 -44.95 90.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.246 1.018 . . . . 73.21 110.081 177.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -66.72 -40.6 88.47 Favored 'General case' 0 C--O 1.243 0.735 0 N-CA-C 109.223 -0.658 . . . . 75.25 109.223 -177.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -59.07 -56.12 26.27 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 114.509 -1.223 . . . . 74.35 110.46 176.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.413 ' OG1' HG21 ' A' ' 14' ' ' ILE . 10.2 t -70.51 -33.11 70.83 Favored 'General case' 0 C--O 1.211 -0.927 0 O-C-N 123.556 0.535 . . . . 74.2 112.086 -172.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.547 HD21 ' HG3' ' A' 1016 ' ' GLU . 51.7 mt -68.98 -40.36 78.86 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 118.149 0.431 . . . . 74.43 110.587 177.044 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -63.66 -52.64 59.83 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 123.5 0.5 . . . . 71.31 109.903 177.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.472 ' HA ' HD22 ' A' ' 22' ' ' LEU . 13.3 m120 -68.67 -35.84 77.74 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.256 -0.883 . . . . 72.54 111.747 -174.234 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.585 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 27.3 tt0 -78.95 -32.01 45.29 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 123.469 0.481 . . . . 73.43 111.153 -179.13 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -66.94 -39.84 87.43 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 109.212 -0.662 . . . . 72.43 109.212 175.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.4 mt -66.34 -35.23 79.84 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 114.845 -1.07 . . . . 74.33 110.874 171.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.585 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 7.9 mt -61.84 -65.06 0.75 Allowed 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.14 0.576 . . . . 74.13 110.191 176.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.525 ' HA ' HD22 ' A' 1009 ' ' LEU . 19.7 pttm -66.5 -26.72 67.3 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 112.526 0.565 . . . . 74.53 112.526 -174.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.78 -57.39 11.12 Favored Glycine 0 C--N 1.346 1.126 0 N-CA-C 112.19 -0.364 . . . . 73.42 112.19 172.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.495 ' O ' ' HG2' ' A' ' 85' ' ' ARG . 7.4 tt -58.63 -52.01 67.5 Favored 'General case' 0 C--O 1.212 -0.87 0 C-N-CA 123.483 0.713 . . . . 64.11 110.763 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.446 HD13 ' HE1' ' A' 1008 ' ' TRP . 48.7 mt -63.42 -36.1 82.6 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.512 1.125 . . . . 75.24 111.989 -176.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -62.11 -45.34 93.89 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 109.929 -0.397 . . . . 74.01 109.929 173.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -62.98 -39.54 95.02 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 124.019 0.824 . . . . 71.3 111.29 178.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.495 ' HG2' ' O ' ' A' ' 81' ' ' LEU . 31.6 mmm-85 -73.17 -47.19 45.85 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 109.863 -0.421 . . . . 74.44 109.863 -176.007 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.431 HD12 ' HB3' ' A' 1005 ' ' LEU . 96.3 mt -66.09 -25.78 67.17 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.359 0.664 . . . . 73.14 111.192 175.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -65.17 -48.19 74.38 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 108.873 -0.788 . . . . 74.15 108.873 174.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -59.03 -60.23 4.2 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 124.163 0.914 . . . . 73.44 110.374 175.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 96.2 mt -52.05 -50.35 61.67 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.212 1.405 . . . . 74.51 112.092 -176.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 N--CA 1.475 0.792 0 CA-C-O 119.347 -0.358 . . . . 60.52 110.889 -178.864 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 46.9 ttp . . . . . 0 CA--C 1.544 0.745 0 N-CA-C 111.583 0.216 . . . . 72.23 111.583 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 46.6 p -70.42 -42.04 72.13 Favored 'General case' 0 C--O 1.218 -0.57 0 C-N-CA 122.81 0.444 . . . . 53.4 110.996 -174.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 95.5 m -62.19 -45.51 93.06 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 122.983 0.513 . . . . 74.31 110.514 176.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 64.6 mtt-85 -55.49 -51.77 65.87 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 123.723 0.639 . . . . 64.12 110.78 174.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1005 ' ' LEU . . . . . 0.547 ' O ' ' HG ' ' A' 1009 ' ' LEU . 53.8 mt -68.64 -35.53 77.39 Favored 'General case' 0 C--O 1.21 -0.987 0 O-C-N 123.823 0.702 . . . . 72.35 112.258 -174.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 45.2 p -74.91 -38.51 61.81 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-N 118.94 0.791 . . . . 72.03 110.805 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -61.87 -39.07 90.63 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-O 121.648 0.737 . . . . 74.34 110.127 170.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1008 ' ' TRP . . . . . 0.586 ' HH2' HD13 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -65.64 -42.23 91.69 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 114.711 -1.131 . . . . 73.43 109.972 177.27 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1009 ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' 1005 ' ' LEU . 62.0 mt -70.45 -33.68 71.58 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 122.959 0.504 . . . . 74.33 111.437 -178.046 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 5.3 t -74.64 -30.27 61.56 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 109.857 -0.423 . . . . 74.24 109.857 176.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -72.91 -30.76 64.16 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.33 0.652 . . . . 75.33 111.238 173.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1012 ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' 1008 ' ' TRP . 20.4 mt -69.66 -46.09 66.91 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 121.456 0.646 . . . . 73.22 109.54 175.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 24.1 t70 -63.09 -37.99 89.4 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 114.93 -1.032 . . . . 73.4 110.283 177.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 6.2 t30 -64.33 -44.58 91.08 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.869 0.868 . . . . 61.12 111.046 176.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 40.8 t80 -62.02 -58.95 5.92 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 123.698 0.624 . . . . 72.52 109.821 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1016 ' ' GLU . . . . . 0.547 ' HG3' HD21 ' A' ' 72' ' ' LEU . 34.5 tt0 -54.78 -44.53 73.79 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 123.969 0.793 . . . . 74.22 111.684 -177.634 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1017 ' ' ALA . . . . . 0.414 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -63.97 -57.49 9.58 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.203 0.601 . . . . 62.11 111.729 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1018 ' ' LYS . . . . . 0.458 ' HD2' ' SD ' ' A' ' 48' ' ' MET . 1.0 OUTLIER -69.47 -33.01 72.28 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.808 0.843 . . . . 74.11 110.383 -173.174 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1019 ' ' MET . . . . . 0.589 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.1 OUTLIER -77.56 -25.57 50.18 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.948 -0.47 . . . . 75.23 110.21 179.23 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -69.55 -30.73 68.61 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 110.022 -0.362 . . . . 75.15 110.022 166.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1021 ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' 1017 ' ' ALA . 80.9 mt -72.78 -21.14 61.04 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.23 0.612 . . . . 70.22 111.721 174.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1022 ' ' LEU . . . . . 0.589 ' HG ' ' HA ' ' A' 1019 ' ' MET . 90.6 mt . . . . . 0 N--CA 1.496 1.863 0 CA-C-N 118.009 0.368 . . . . 75.21 110.572 168.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.3 m . . . . . 0 N--CA 1.486 1.352 0 N-CA-C 112.912 0.708 . . . . 70.24 112.912 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.7 p -62.03 -42.0 98.7 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.802 0.441 . . . . 63.31 110.941 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 33.4 m -62.76 -58.39 7.62 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.817 1.247 . . . . 72.43 111.515 -177.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.8 p -61.87 -38.82 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 123.701 0.8 . . . . 65.13 110.857 -178.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -61.16 -50.11 74.49 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.724 0.809 . . . . 63.03 110.737 -179.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -65.96 -46.62 77.43 Favored 'General case' 0 CA--C 1.552 1.039 0 CA-C-N 114.653 -1.158 . . . . 73.11 111.469 -177.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 91.0 mt -68.96 -33.65 60.11 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 C-N-CA 124.322 1.049 . . . . 63.13 111.196 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -73.96 -32.52 63.5 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 122.916 0.486 . . . . 72.14 111.279 177.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.429 ' O ' HG13 ' A' ' 14' ' ' ILE . 68.2 mtt180 -64.42 -51.63 62.19 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 109.853 -0.425 . . . . 73.33 109.853 172.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 54.4 m95 -61.5 -34.09 74.89 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 123.574 0.547 . . . . 75.45 111.772 176.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.432 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 60.7 tt0 -61.4 -50.09 74.27 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.321 0.648 . . . . 75.43 109.383 176.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -57.45 -46.47 83.59 Favored 'General case' 0 C--O 1.21 -0.995 0 O-C-N 124.219 0.949 . . . . 73.11 111.149 177.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.462 HG21 ' OG1' ' A' ' 71' ' ' THR . 77.6 mt -64.99 -38.02 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 123.27 0.628 . . . . 73.21 111.573 -176.251 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.18 -46.7 66.88 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 122.558 0.343 . . . . 74.4 111.167 177.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 84.5 mt -65.8 -39.9 91.38 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.357 0.663 . . . . 73.53 110.776 -179.375 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.3 mt -69.77 -49.48 52.53 Favored 'General case' 0 C--O 1.212 -0.896 0 C-N-CA 123.774 0.83 . . . . 73.41 110.148 -178.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.8 p -60.83 -36.76 79.92 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 118.15 0.432 . . . . 74.04 110.922 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -65.22 -49.36 70.0 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.486 0.715 . . . . 73.12 111.315 176.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.402 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 59.5 m -59.56 -55.74 30.66 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.741 0.816 . . . . 73.41 110.628 179.134 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.556 HD13 ' HH2' ' A' 1008 ' ' TRP . 66.9 mt -58.7 -31.8 68.57 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.12 1.368 . . . . 74.03 111.574 179.26 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.6 tp -65.41 -50.17 66.49 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 122.609 0.364 . . . . 73.43 110.535 175.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.464 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 48.4 mt-10 -55.76 -48.57 75.03 Favored 'General case' 0 N--CA 1.482 1.151 0 O-C-N 124.308 1.005 . . . . 74.24 109.949 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.435 HD23 ' HG2' ' A' ' 29' ' ' GLU . 64.9 mt -59.23 -47.54 84.98 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 114.369 -1.287 . . . . 64.44 110.854 179.503 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.447 ' HB2' HD21 ' A' ' 33' ' ' LEU . . . -64.11 -36.41 83.95 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.408 0.683 . . . . 71.23 111.745 -178.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -67.39 -38.8 85.28 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.264 0.626 . . . . 60.23 110.493 176.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 25.7 mmm180 -79.02 -14.39 59.21 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.076 0.55 . . . . 75.04 111.826 -179.148 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.0 7.27 58.69 Favored Glycine 0 N--CA 1.476 1.343 0 O-C-N 123.003 0.189 . . . . 71.13 113.391 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.435 ' HG2' HD23 ' A' ' 24' ' ' LEU . 10.6 tp10 -76.39 95.22 3.77 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.434 1.094 . . . . 74.5 110.986 176.197 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 29.1 m95 -90.39 -30.28 17.49 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 123.492 0.717 . . . . 72.34 112.692 -177.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -64.88 -39.44 93.54 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.624 0.77 . . . . 73.34 111.637 -172.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 81.8 mt -74.72 -21.33 59.43 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 116.503 -0.317 . . . . 74.21 111.316 178.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.447 HD21 ' HB2' ' A' ' 25' ' ' ALA . 10.4 mp -69.92 -45.54 67.31 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 109.352 -0.61 . . . . 74.24 109.352 170.281 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.62 -31.84 73.13 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 124.0 0.812 . . . . 74.55 111.379 177.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -76.73 -52.84 8.85 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 120.968 0.413 . . . . 74.34 110.922 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.496 ' HB2' HD22 ' A' ' 21' ' ' LEU . 14.7 mt-30 -78.78 -9.94 59.61 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.941 0.896 . . . . 75.31 112.618 -176.355 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.48 ' HG3' ' HE3' ' A' 1008 ' ' TRP . 34.5 tt0 -44.43 -51.74 8.4 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.629 1.172 . . . . 71.54 112.127 175.003 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.3 p -56.7 -45.12 82.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 O-C-N 123.833 0.708 . . . . 75.34 111.622 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.1 m -70.88 -40.06 72.47 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.509 0.724 . . . . 73.33 112.06 -174.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -69.93 -49.79 48.49 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.383 0.673 . . . . 75.31 110.676 -177.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.9 mt -68.16 -31.41 70.94 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 123.845 0.716 . . . . 74.23 110.968 -179.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -66.73 -44.31 81.89 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.054 0.542 . . . . 75.45 110.656 175.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.433 ' HA ' HG21 ' A' ' 46' ' ' THR . 9.2 t -67.02 -38.63 86.28 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.314 0.646 . . . . 75.23 110.235 -178.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.8 mt -58.02 -50.72 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.807 1.243 . . . . 74.35 110.53 172.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -63.78 -42.19 97.8 Favored 'General case' 0 C--N 1.345 0.411 0 CA-C-N 115.163 -0.926 . . . . 75.04 110.598 -175.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.433 HG21 ' HA ' ' A' ' 43' ' ' SER . 14.3 t -79.02 -25.75 43.25 Favored 'General case' 0 CA--C 1.548 0.868 0 O-C-N 123.359 0.412 . . . . 74.24 111.95 -174.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.5 p -79.5 -32.99 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 CA-C-N 118.558 0.617 . . . . 74.41 110.697 175.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.484 ' HE2' ' HA ' ' A' 1015 ' ' PHE . 23.7 ttm -75.94 -34.98 59.87 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.781 -0.645 . . . . 73.55 109.492 179.224 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 . . . . . 0 N--CA 1.47 0.555 0 CA-C-N 115.219 -0.901 . . . . 73.35 110.297 171.968 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 112.102 0.408 . . . . 74.41 112.102 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 -55.35 -30.78 60.95 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.393 1.077 . . . . 75.04 112.76 -176.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.1 m -66.45 -58.04 6.09 Favored 'General case' 0 C--O 1.248 1.002 0 C-N-CA 122.842 0.457 . . . . 73.33 111.19 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 62.6 mt -63.5 -42.56 96.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 115.502 -0.772 . . . . 74.53 109.329 -177.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -61.13 -39.94 91.94 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.791 0.836 . . . . 72.53 111.066 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -63.19 -52.91 60.4 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.161 0.585 . . . . 71.1 110.858 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 69.2 mtm -67.79 -49.52 61.94 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 115.448 -0.796 . . . . 75.51 111.594 -175.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.7 t -59.83 -48.01 89.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 123.832 0.853 . . . . 64.32 111.105 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.494 ' HA ' ' HB ' ' A' ' 68' ' ' ILE . . . -66.5 -27.64 67.94 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 123.204 0.315 . . . . 75.33 111.293 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.36 -53.24 47.23 Favored Glycine 0 C--N 1.352 1.468 0 N-CA-C 111.494 -0.642 . . . . 64.01 111.494 171.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -60.17 -34.39 73.52 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 114.919 -0.64 . . . . 72.11 111.692 176.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.494 ' HB ' ' HA ' ' A' ' 65' ' ' ALA . 20.8 mt -64.26 -50.21 77.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.843 1.257 . . . . 74.03 111.044 179.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -66.37 -40.77 89.94 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 120.64 0.257 . . . . 73.24 110.51 -178.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -61.57 -50.59 72.0 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.427 -0.806 . . . . 75.11 110.915 177.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.462 ' OG1' HG21 ' A' ' 14' ' ' ILE . 6.3 t -73.68 -34.85 65.08 Favored 'General case' 0 C--O 1.213 -0.851 0 CA-C-O 119.236 -0.411 . . . . 72.02 111.827 -173.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.425 HD23 ' SD ' ' A' 1019 ' ' MET . 43.6 mt -67.66 -40.73 84.47 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 117.964 0.347 . . . . 75.11 110.645 177.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -63.53 -50.77 68.25 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.952 0.501 . . . . 74.55 110.807 176.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.407 ' N ' HD21 ' A' ' 74' ' ' ASN . 0.8 OUTLIER -73.11 -32.97 65.28 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 115.078 -0.965 . . . . 51.03 111.343 -172.275 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.457 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 30.1 tt0 -79.67 -28.42 40.74 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 122.975 0.51 . . . . 73.53 110.479 176.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -65.69 -39.56 91.39 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-O 121.205 0.526 . . . . 72.32 109.799 172.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.1 mt -69.25 -39.43 78.49 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 115.163 -0.926 . . . . 75.35 110.9 174.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.457 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 20.3 mt -60.07 -48.75 80.4 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.353 0.661 . . . . 73.41 110.922 172.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -65.59 -43.88 88.33 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.515 1.126 . . . . 62.5 109.98 -173.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.35 -50.62 55.0 Favored Glycine 0 C--N 1.345 1.049 0 CA-C-N 115.024 -0.989 . . . . 74.33 112.583 177.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.1 tt -61.71 -46.6 88.98 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.704 0.802 . . . . 65.21 111.041 -177.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 39.5 mt -76.67 -35.59 57.83 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.632 0.773 . . . . 74.2 111.801 -172.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 26.1 tp60 -67.89 -43.55 79.06 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 109.553 -0.536 . . . . 70.4 109.553 175.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.3 tm0? -58.81 -45.44 89.95 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.652 1.181 . . . . 72.22 110.52 175.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.8 -55.77 13.4 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 115.271 -0.877 . . . . 71.15 109.884 -174.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.463 HD11 ' HB3' ' A' 1005 ' ' LEU . 94.9 mt -60.79 -31.32 70.7 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.994 0.918 . . . . 74.12 111.693 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -60.4 -54.78 41.46 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.944 0.897 . . . . 74.14 109.88 175.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -64.33 -41.19 96.91 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 115.156 -0.929 . . . . 75.3 111.36 178.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 85.0 mt -58.56 -43.38 89.35 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.113 0.965 . . . . 75.14 110.703 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 67.4 m . . . . . 0 N--CA 1.476 0.861 0 C-N-CA 122.969 0.507 . . . . 73.4 111.017 177.164 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 52.3 ttp . . . . . 0 N--CA 1.474 0.754 0 CA-C-O 120.372 0.13 . . . . 74.02 110.725 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 28.2 p -66.07 -47.72 73.35 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 123.576 0.548 . . . . 72.4 111.979 -176.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 65.2 p -70.11 -35.54 74.19 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 111.797 0.295 . . . . 74.43 111.797 -176.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 57.1 mtt-85 -63.92 -46.84 82.98 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.521 0.328 . . . . 74.13 110.154 174.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1005 ' ' LEU . . . . . 0.546 ' HA ' ' HB3' ' A' 1008 ' ' TRP . 41.8 mt -73.55 -28.21 61.74 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.625 0.602 . . . . 75.2 112.625 -177.263 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 35.0 p -73.25 -41.73 63.35 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 118.775 0.716 . . . . 74.42 109.733 175.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 56.1 ttt180 -64.88 -33.77 76.81 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.236 0.541 . . . . 75.53 110.154 174.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1008 ' ' TRP . . . . . 0.556 ' HH2' HD13 ' A' ' 21' ' ' LEU . 1.3 t-105 -62.96 -50.76 69.5 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.436 1.094 . . . . 75.14 109.982 175.043 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1009 ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' 1005 ' ' LEU . 98.7 mt -63.14 -37.84 88.81 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.272 0.629 . . . . 74.54 111.826 -177.282 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 13.4 t -76.24 -27.04 56.62 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 122.483 -0.136 . . . . 72.35 110.834 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -73.26 -30.58 63.54 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 122.57 0.348 . . . . 62.24 110.668 173.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1012 ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' 1008 ' ' TRP . 26.9 mt -68.3 -42.91 78.76 Favored 'General case' 0 C--N 1.356 0.854 0 C-N-CA 123.34 0.656 . . . . 73.33 109.3 174.219 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 29.6 t70 -66.21 -39.88 89.96 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.478 -0.783 . . . . 63.25 111.289 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 46.9 t30 -62.95 -46.12 89.24 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.487 0.715 . . . . 75.4 109.628 178.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1015 ' ' PHE . . . . . 0.484 ' HA ' ' HE2' ' A' ' 48' ' ' MET . 56.6 t80 -57.49 -62.5 1.74 Allowed 'General case' 0 C--N 1.357 0.904 0 O-C-N 123.943 0.777 . . . . 75.13 110.407 174.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -44.36 -53.62 6.61 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 126.267 1.827 . . . . 73.33 112.492 -177.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -68.96 -52.63 26.97 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.338 -0.846 . . . . 70.23 111.557 -176.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -63.38 -35.63 81.05 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 121.428 0.632 . . . . 73.14 111.279 -177.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1019 ' ' MET . . . . . 0.659 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.3 OUTLIER -80.77 -24.45 38.63 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.168 -0.469 . . . . 74.12 110.957 -176.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -69.22 -31.92 70.82 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.912 -0.403 . . . . 64.31 109.912 168.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 96.6 mt -71.99 -29.84 64.63 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 118.52 -0.752 . . . . 75.11 112.254 176.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1022 ' ' LEU . . . . . 0.659 ' HG ' ' HA ' ' A' 1019 ' ' MET . 85.7 mt . . . . . 0 N--CA 1.503 2.18 0 O-C-N 123.67 0.606 . . . . 74.22 111.957 174.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.4 m . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 119.787 -0.149 . . . . 72.53 110.836 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 m -51.85 -46.89 64.58 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.003 0.921 . . . . 71.21 111.477 177.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 48.5 m -56.87 -58.92 6.04 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 114.203 -1.362 . . . . 73.53 111.662 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.2 t -62.27 -54.71 30.69 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.799 0 CA-C-N 115.486 -0.779 . . . . 74.02 109.817 -175.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -48.9 -51.38 30.29 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.77 0.828 . . . . 74.31 112.82 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -67.43 -54.01 24.04 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 115.496 -0.775 . . . . 73.31 111.623 -174.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.554 HD12 HG12 ' A' ' 60' ' ' ILE . 95.9 mt -63.84 -39.05 84.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 115.076 -0.965 . . . . 74.04 111.043 -177.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.497 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 0.8 OUTLIER -69.53 -40.02 77.16 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.301 0.64 . . . . 73.3 110.52 -178.158 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.464 ' O ' HG13 ' A' ' 14' ' ' ILE . 70.1 mtt85 -61.37 -54.17 47.21 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 123.538 0.524 . . . . 74.45 110.666 174.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -58.51 -33.11 69.48 Favored 'General case' 0 N--CA 1.484 1.229 0 O-C-N 123.656 0.598 . . . . 73.42 111.977 177.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.401 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 62.8 tt0 -63.07 -46.01 89.47 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.193 0.997 . . . . 71.22 109.905 176.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.497 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 71.1 mmt-85 -60.51 -46.02 91.67 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 123.727 0.642 . . . . 74.22 109.966 177.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 10' ' ' ARG . 64.3 mt -62.68 -39.24 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.038 0.935 . . . . 74.33 111.215 -176.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.47 -43.76 69.11 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 122.851 0.46 . . . . 73.24 111.047 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.517 ' HA ' HE21 ' A' ' 19' ' ' GLN . 96.0 mt -61.11 -45.9 92.8 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.77 0.828 . . . . 75.24 110.133 177.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 71.9 mt -65.53 -50.23 65.99 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-N 115.171 -0.922 . . . . 72.54 110.151 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.7 p -64.14 -37.65 88.22 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 112.43 0.53 . . . . 73.43 112.43 -175.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.517 HE21 ' HA ' ' A' ' 16' ' ' LEU . 27.6 pt20 -71.77 -41.43 68.37 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 123.101 0.25 . . . . 74.11 110.414 178.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.503 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 66.6 m -60.5 -46.11 91.31 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 123.535 0.522 . . . . 74.21 110.305 175.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.583 HD13 ' HH2' ' A' 1008 ' ' TRP . 61.8 mt -64.89 -35.26 80.56 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.63 1.172 . . . . 71.32 110.576 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.0 tp -63.59 -42.69 98.25 Favored 'General case' 0 C--N 1.347 0.495 0 N-CA-C 109.577 -0.527 . . . . 75.14 109.577 177.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.461 ' O ' ' HD3' ' A' ' 27' ' ' ARG . 6.0 mm-40 -61.8 -45.59 93.19 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 123.498 0.499 . . . . 74.24 110.945 176.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 20' ' ' SER . 60.6 mt -61.7 -42.25 98.69 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.798 0.839 . . . . 65.43 111.125 -179.155 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.441 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -71.59 -41.55 68.82 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.333 0.653 . . . . 73.1 111.71 -177.148 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -67.43 -35.05 78.47 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.497 -0.774 . . . . 73.44 111.338 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.461 ' HD3' ' O ' ' A' ' 23' ' ' GLU . 6.7 mpt_? -88.22 -21.56 24.46 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 122.638 0.375 . . . . 74.1 111.423 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.33 20.17 18.63 Favored Glycine 0 C--N 1.35 1.312 0 N-CA-C 115.553 0.981 . . . . 74.32 115.553 177.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -79.39 74.82 6.0 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-N 117.832 0.816 . . . . 73.3 109.808 166.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 33.5 m95 -68.47 -30.24 69.06 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.646 0.779 . . . . 75.4 109.849 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -59.69 -49.9 75.95 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 114.095 -1.411 . . . . 71.14 110.344 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.7 mt -75.37 -19.23 59.69 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 115.043 -0.981 . . . . 74.42 110.954 -177.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.74 -50.1 68.2 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 109.476 -0.564 . . . . 72.15 109.476 167.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 73.4 mt -68.39 -23.01 64.6 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 123.897 0.748 . . . . 73.41 111.741 -179.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -72.82 -59.06 2.89 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.48 0.712 . . . . 75.31 110.5 175.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.93 -11.16 59.91 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.0 0.52 . . . . 73.03 112.009 -178.305 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.401 ' HG3' ' CE3' ' A' 1008 ' ' TRP . 35.5 tt0 -45.43 -59.58 2.62 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.166 1.387 . . . . 73.41 112.67 178.323 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.5 m -60.72 -33.93 56.94 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 O-C-N 123.999 0.812 . . . . 73.05 111.669 -176.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.9 m -69.66 -39.52 76.99 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.946 0.899 . . . . 74.41 110.779 178.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -71.69 -44.6 63.94 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.516 -0.765 . . . . 72.25 110.448 -177.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 67.3 mt -71.26 -29.36 65.0 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.267 0.627 . . . . 75.41 110.696 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -66.75 -50.04 64.0 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 116.239 -0.437 . . . . 74.42 110.748 173.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.46 ' HA ' HG23 ' A' ' 46' ' ' THR . 66.2 p -64.21 -36.94 85.71 Favored 'General case' 0 CA--C 1.551 0.995 0 O-C-N 123.84 0.713 . . . . 74.33 110.751 -177.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.2 mt -57.58 -53.28 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 124.602 1.161 . . . . 72.43 110.858 171.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -63.93 -43.99 94.22 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.862 -0.608 . . . . 73.03 111.147 -174.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.46 HG23 ' HA ' ' A' ' 43' ' ' SER . 14.2 t -73.54 -29.75 62.65 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.334 0.653 . . . . 61.42 110.929 -175.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.424 ' HA ' ' HD3' ' A' ' 10' ' ' ARG . 2.3 p -78.45 -33.1 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 CA-C-N 118.122 0.419 . . . . 74.0 111.208 177.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.502 ' HE3' ' HA ' ' A' 1015 ' ' PHE . 34.5 ttm -74.04 -29.49 61.94 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 109.191 -0.67 . . . . 73.32 109.191 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 . . . . . 0 CA--C 1.55 0.975 0 CA-C-N 115.709 -0.678 . . . . 72.21 110.385 167.31 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 C--O 1.244 0.785 0 CA-C-O 120.366 0.127 . . . . 74.15 110.825 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.1 mtp-105 -66.51 -21.46 66.17 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 112.657 0.614 . . . . 70.54 112.657 -172.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 64.5 p -67.45 -51.29 53.29 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 122.751 0.421 . . . . 71.31 109.949 177.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.554 HG12 HD12 ' A' ' 8' ' ' ILE . 57.0 mt -58.23 -51.23 73.72 Favored 'Isoleucine or valine' 0 C--N 1.362 1.115 0 O-C-N 123.865 0.728 . . . . 73.43 109.308 174.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -55.61 -41.33 73.31 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 124.302 1.002 . . . . 72.22 111.529 -176.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -73.39 -50.94 19.22 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.288 0.635 . . . . 64.34 111.52 -176.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.406 ' HE3' HD13 ' A' ' 8' ' ' ILE . 73.5 mtm -62.92 -45.81 90.75 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.559 0.343 . . . . 73.54 110.681 -178.267 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.0 t -62.81 -45.58 98.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 123.876 0.87 . . . . 73.44 111.036 177.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.26 -24.61 67.36 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-N 117.893 0.315 . . . . 64.53 111.245 177.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.59 -44.3 50.01 Favored Glycine 0 C--N 1.348 1.244 0 N-CA-C 111.308 -0.717 . . . . 63.14 111.308 173.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -69.05 -33.48 73.66 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.288 0.635 . . . . 73.12 111.042 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.405 HG22 ' HE2' ' A' 1019 ' ' MET . 22.3 mt -68.95 -47.77 73.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 124.681 1.193 . . . . 75.35 109.562 178.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -66.23 -40.28 90.16 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.035 -0.53 . . . . 75.23 109.952 -178.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -60.81 -53.51 56.42 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 124.449 1.093 . . . . 74.45 109.416 177.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.447 ' OG1' HG21 ' A' ' 14' ' ' ILE . 5.3 t -71.52 -33.66 69.4 Favored 'General case' 0 C--O 1.207 -1.161 0 CA-C-O 118.761 -0.637 . . . . 75.22 112.336 -172.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.424 HD21 ' SD ' ' A' 1019 ' ' MET . 34.0 mt -72.05 -39.4 69.09 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 118.291 0.496 . . . . 75.53 110.836 178.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -68.34 -46.06 71.2 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-O 121.498 0.666 . . . . 73.14 110.472 179.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.419 ' N ' HD21 ' A' ' 74' ' ' ASN . 0.8 OUTLIER -72.14 -38.01 69.3 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 114.843 -1.071 . . . . 74.22 110.607 -176.613 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.452 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 34.9 tt0 -71.66 -31.82 67.23 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 123.798 0.686 . . . . 51.52 110.332 175.31 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -58.17 -53.99 52.02 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 109.073 -0.714 . . . . 71.23 109.073 174.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.8 mt -60.46 -40.74 92.28 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.594 -1.185 . . . . 74.23 111.151 177.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.452 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 21.2 mt -56.1 -60.43 3.49 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.757 0.823 . . . . 75.15 111.554 174.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -70.49 -28.31 64.88 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.56 0.744 . . . . 74.21 111.597 -168.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.78 -47.64 19.54 Favored Glycine 0 C--N 1.349 1.282 0 O-C-N 123.578 0.549 . . . . 71.54 111.941 174.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.441 HD22 ' HB2' ' A' ' 25' ' ' ALA . 7.2 tt -58.27 -47.7 82.79 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.828 0.851 . . . . 73.21 110.283 176.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.442 HD12 ' HE1' ' A' 1008 ' ' TRP . 41.5 mt -72.25 -31.87 66.18 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.826 1.25 . . . . 74.11 111.489 -176.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -61.15 -53.73 53.33 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 109.867 -0.42 . . . . 74.42 109.867 173.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.403 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 8.6 tt0 -68.98 -32.48 72.08 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.217 -0.901 . . . . 71.4 111.144 -178.263 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.416 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 27.4 tpt180 -70.23 -47.08 63.0 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.713 0.405 . . . . 75.1 109.933 -179.251 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.524 HD13 ' HB3' ' A' 1005 ' ' LEU . 83.6 mt -63.54 -32.0 73.34 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 123.461 0.476 . . . . 71.41 110.663 175.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -62.23 -44.18 97.16 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.199 0.6 . . . . 71.3 110.352 174.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 84' ' ' GLN . 46.3 mt-10 -60.27 -55.97 27.27 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.563 0.745 . . . . 72.52 110.204 175.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.495 HD13 HD21 ' A' ' 86' ' ' LEU . 74.0 mt -54.42 -44.01 72.04 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.686 1.195 . . . . 74.05 111.141 -178.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 70.4 m . . . . . 0 N--CA 1.475 0.786 0 C-N-CA 123.554 0.742 . . . . 71.14 111.595 179.21 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 50.1 ttp . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 112.318 0.488 . . . . 72.44 112.318 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 33.7 p -71.53 -48.21 50.17 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 118.898 -0.572 . . . . 62.55 111.51 -174.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1003 ' ' THR . . . . . 0.403 ' O ' ' HG3' ' A' 1007 ' ' ARG . 5.4 t -63.22 -43.14 98.95 Favored 'General case' 0 C--N 1.359 1.014 0 CA-C-N 118.248 0.476 . . . . 75.24 110.047 -177.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 71.3 mtt-85 -60.82 -57.02 14.42 Favored 'General case' 0 C--N 1.357 0.899 0 CA-C-N 115.567 -0.742 . . . . 71.1 110.376 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1005 ' ' LEU . . . . . 0.591 ' HA ' ' HB3' ' A' 1008 ' ' TRP . 72.4 mt -67.27 -26.12 66.4 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.062 0.764 . . . . 65.11 113.062 -174.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 42.2 p -71.63 -48.95 44.47 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 118.951 0.796 . . . . 72.22 110.103 174.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1007 ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' 1003 ' ' THR . 34.8 mtt180 -61.5 -31.73 71.72 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-O 121.179 0.514 . . . . 74.35 110.373 175.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1008 ' ' TRP . . . . . 0.591 ' HB3' ' HA ' ' A' 1005 ' ' LEU . 4.1 t-105 -70.32 -45.81 65.47 Favored 'General case' 0 C--O 1.218 -0.597 0 C-N-CA 125.235 1.414 . . . . 73.11 111.055 -178.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1009 ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' 1005 ' ' LEU . 71.5 mt -71.05 -34.5 71.29 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 109.062 -0.718 . . . . 74.33 109.062 -177.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 84.5 m -59.62 -44.23 93.53 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 114.837 -1.074 . . . . 71.25 110.469 169.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -71.77 -28.95 63.97 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.701 0.8 . . . . 64.03 111.858 -178.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1012 ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' 1008 ' ' TRP . 22.8 mt -73.14 -41.09 64.34 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 109.267 -0.642 . . . . 73.4 109.267 178.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 29.2 t70 -73.98 -31.72 63.11 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 115.543 -0.753 . . . . 72.12 110.391 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 54.8 t30 -65.14 -46.42 81.02 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.021 0.928 . . . . 63.3 109.557 175.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1015 ' ' PHE . . . . . 0.502 ' HA ' ' HE3' ' A' ' 48' ' ' MET . 47.5 t80 -57.6 -62.02 2.09 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 114.699 -1.137 . . . . 74.34 110.188 174.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -49.62 -42.98 46.32 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 124.682 1.239 . . . . 75.33 111.847 -178.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -64.61 -63.4 1.14 Allowed 'General case' 0 C--N 1.348 0.528 0 O-C-N 123.816 0.697 . . . . 73.13 111.285 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 14.6 mptt -61.91 -34.03 75.32 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.579 0.352 . . . . 75.04 111.575 -176.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1019 ' ' MET . . . . . 0.643 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.1 OUTLIER -78.83 -32.25 46.1 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.486 -0.324 . . . . 75.33 110.528 -173.508 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -70.76 -31.1 67.78 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 120.842 0.354 . . . . 74.11 110.521 170.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 95.5 mt -82.6 -14.4 54.86 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-O 118.279 -0.867 . . . . 75.4 112.169 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1022 ' ' LEU . . . . . 0.643 ' HG ' ' HA ' ' A' 1019 ' ' MET . 45.4 mt . . . . . 0 N--CA 1.502 2.144 0 C-N-CA 123.57 0.748 . . . . 75.21 111.711 176.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 N--CA 1.474 0.759 0 CA-C-O 119.741 -0.171 . . . . 72.35 110.72 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.8 m -61.71 -35.1 77.08 Favored 'General case' 0 C--N 1.349 0.572 0 C-N-CA 123.267 0.627 . . . . 70.31 110.751 -178.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.9 m -61.82 -58.92 6.11 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.407 1.083 . . . . 74.21 111.57 176.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.7 p -64.33 -37.96 81.31 Favored 'Isoleucine or valine' 0 C--N 1.358 0.962 0 O-C-N 123.273 0.358 . . . . 75.34 110.78 -174.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -61.96 -59.25 5.39 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 109.431 -0.581 . . . . 74.31 109.431 177.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -48.62 -49.55 36.59 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.889 1.275 . . . . 74.34 111.724 -176.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.52 HD13 HG12 ' A' ' 60' ' ' ILE . 75.7 mt -69.46 -42.61 80.98 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.974 0 CA-C-N 115.341 -0.845 . . . . 74.44 111.45 -177.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.62 -24.93 61.13 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 122.772 0.429 . . . . 73.1 111.732 -179.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -77.36 -49.7 14.36 Favored 'General case' 0 C--O 1.219 -0.512 0 N-CA-C 108.657 -0.868 . . . . 75.33 108.657 178.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 53.8 m95 -58.32 -38.28 76.8 Favored 'General case' 0 N--CA 1.485 1.29 0 O-C-N 123.522 0.514 . . . . 73.51 110.99 173.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.402 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 62.8 tt0 -61.0 -50.58 72.82 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 123.987 0.805 . . . . 74.21 109.929 176.075 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -57.36 -44.15 84.1 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 124.466 1.104 . . . . 74.55 111.22 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 84.3 mt -69.13 -36.73 74.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.338 1.055 . . . . 73.15 110.647 -178.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.1 -43.92 90.53 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.026 0.53 . . . . 64.32 110.465 177.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.563 ' HA ' HE21 ' A' ' 19' ' ' GLN . 95.8 mt -63.92 -47.51 80.24 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 124.513 1.125 . . . . 73.25 110.351 178.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.5 mt -63.25 -42.79 99.21 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.702 0.801 . . . . 73.41 110.645 178.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.7 t -66.38 -45.85 78.65 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.226 0.611 . . . . 65.44 110.787 -174.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.563 HE21 ' HA ' ' A' ' 16' ' ' LEU . 30.2 pt20 -70.81 -35.24 72.42 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 123.456 0.472 . . . . 73.23 110.825 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.2 m -62.4 -54.81 34.79 Favored 'General case' 0 C--N 1.36 1.033 0 O-C-N 123.365 0.416 . . . . 74.31 110.045 176.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.648 HD22 ' HB2' ' A' ' 36' ' ' GLN . 93.6 mt -59.28 -32.22 69.82 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.718 1.207 . . . . 73.4 111.225 179.441 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.548 HD21 ' HA ' ' A' ' 74' ' ' ASN . 57.6 tp -66.3 -52.19 49.86 Favored 'General case' 0 C--N 1.35 0.587 0 C-N-CA 123.054 0.541 . . . . 64.5 111.109 176.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 32.6 mt-10 -55.61 -48.77 74.35 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 124.265 0.978 . . . . 73.45 109.751 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.544 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 93.4 mt -63.69 -35.91 82.11 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 114.275 -1.33 . . . . 74.14 111.402 -178.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.508 ' HB3' HD22 ' A' ' 81' ' ' LEU . . . -63.91 -43.28 96.44 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.113 0.565 . . . . 73.23 110.551 175.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -70.79 -22.38 62.37 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 114.961 -1.018 . . . . 74.13 111.739 176.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.5 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 29.3 mmt180 -84.54 -25.87 28.45 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.898 0.479 . . . . 74.03 111.004 174.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.21 18.44 36.51 Favored Glycine 0 C--N 1.351 1.416 0 N-CA-C 113.891 0.316 . . . . 72.25 113.891 -175.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.544 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 20.3 mm-40 -82.04 67.7 8.15 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.434 1.094 . . . . 72.3 110.779 177.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 40.8 m95 -66.33 -33.42 75.69 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.352 0.661 . . . . 73.45 111.701 -172.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -64.62 -40.53 95.64 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.55 0.74 . . . . 72.25 111.033 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.9 mt -67.57 -33.02 74.18 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 122.607 0.363 . . . . 73.35 110.549 178.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.635 ' HA ' HD21 ' A' ' 21' ' ' LEU . 11.2 mp -61.9 -48.8 78.83 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.926 0.49 . . . . 74.25 111.129 169.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.9 mt -67.39 -26.49 66.48 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.481 0.712 . . . . 75.31 112.037 -178.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -76.09 -58.12 3.47 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.682 0.793 . . . . 74.35 110.416 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.648 ' HB2' HD22 ' A' ' 21' ' ' LEU . 11.1 mt-30 -76.06 -10.0 59.06 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.419 1.088 . . . . 75.01 111.907 -178.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.412 ' HG3' ' CE3' ' A' 1008 ' ' TRP . 35.2 tt0 -44.92 -54.56 6.35 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.848 1.259 . . . . 71.34 111.779 171.434 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.2 p -57.84 -47.31 86.48 Favored 'Isoleucine or valine' 0 C--N 1.355 0.845 0 O-C-N 123.855 0.722 . . . . 70.25 110.761 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.8 m -61.8 -40.13 94.17 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.408 0.683 . . . . 72.35 111.508 -177.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -70.8 -49.2 49.02 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.132 0.973 . . . . 72.53 110.902 -176.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.2 mt -69.9 -33.98 72.91 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.014 0.525 . . . . 75.12 111.334 -176.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -72.3 -40.83 67.24 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 119.102 -0.475 . . . . 73.32 110.913 177.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 77.7 p -66.98 -35.75 80.66 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 122.595 0.358 . . . . 60.55 111.096 177.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.6 mt -57.8 -51.97 63.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 124.829 1.252 . . . . 73.44 110.518 171.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -63.88 -35.71 81.54 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 114.547 -1.206 . . . . 74.05 109.531 -177.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.99 -40.84 68.28 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.967 1.707 . . . . 71.43 112.453 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.3 p -75.46 -33.58 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 O-C-N 122.019 -0.426 . . . . 65.55 109.858 -177.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 35.4 ttm -73.96 -33.21 63.8 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.721 -0.672 . . . . 71.21 109.263 178.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 . . . . . 0 N--CA 1.477 0.919 0 C-N-CA 123.701 0.8 . . . . 71.53 111.194 171.929 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 119.277 -0.392 . . . . 74.14 111.172 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -42.89 -63.68 0.75 Allowed 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.941 1.696 . . . . 73.45 113.322 -173.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.3 m -64.74 -45.64 85.62 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 124.034 0.834 . . . . 75.23 111.742 -172.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.52 HG12 HD13 ' A' ' 8' ' ' ILE . 36.5 mt -60.77 -51.82 68.77 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 O-C-N 123.554 0.533 . . . . 75.2 109.925 -177.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -57.54 -49.69 75.54 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.513 0.725 . . . . 74.43 111.116 -178.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -64.95 -54.3 32.81 Favored 'General case' 0 C--O 1.248 0.981 0 O-C-N 123.879 0.737 . . . . 72.44 111.866 -174.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 73.9 mtm -61.85 -52.08 65.6 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.149 0.58 . . . . 73.04 111.064 -177.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.3 t -59.39 -44.92 93.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 123.333 0.653 . . . . 71.42 111.159 -179.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.47 -35.98 79.16 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 123.344 0.402 . . . . 74.01 111.253 178.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.71 -44.06 98.06 Favored Glycine 0 C--N 1.355 1.627 0 O-C-N 123.363 0.415 . . . . 74.53 112.301 173.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -70.12 -25.97 63.74 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.592 0.757 . . . . 75.13 111.375 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.511 HG12 ' HE2' ' A' 1019 ' ' MET . 30.6 mt -71.86 -45.69 63.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.389 1.076 . . . . 75.04 109.856 176.309 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -59.05 -42.43 90.3 Favored 'General case' 0 C--O 1.244 0.813 0 O-C-N 123.691 0.619 . . . . 73.22 110.078 175.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -59.17 -62.44 1.88 Allowed 'General case' 0 C--N 1.352 0.706 0 O-C-N 124.293 0.996 . . . . 61.11 110.489 176.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.8 t -63.67 -37.24 86.6 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 112.206 0.447 . . . . 62.43 112.206 -169.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.414 HD22 ' SD ' ' A' 1019 ' ' MET . 66.9 mt -75.75 -40.48 55.31 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 112.968 0.729 . . . . 75.44 112.968 -178.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -73.78 -40.89 63.11 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-N 118.511 0.596 . . . . 73.31 110.931 178.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.548 ' HA ' HD21 ' A' ' 22' ' ' LEU . 83.3 m-20 -64.32 -37.77 88.67 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.207 0.603 . . . . 73.11 110.239 177.051 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.492 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 16.3 tt0 -72.3 -35.71 68.75 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 123.423 0.452 . . . . 64.03 111.144 175.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -57.64 -48.24 80.0 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 121.637 0.732 . . . . 74.32 109.459 177.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.8 mt -70.74 -38.81 73.56 Favored 'General case' 0 CA--C 1.554 1.121 0 CA-C-N 114.134 -1.393 . . . . 74.41 111.372 178.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.492 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 5.0 mt -57.56 -61.59 2.4 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 124.083 0.953 . . . . 72.41 110.395 176.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.43 ' HG3' HD21 ' A' 1009 ' ' LEU . 33.9 ttpt -63.95 -35.64 81.33 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.803 1.641 . . . . 73.21 111.582 -174.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.73 -51.54 52.99 Favored Glycine 0 C--N 1.351 1.394 0 O-C-N 123.409 0.443 . . . . 73.03 112.129 173.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.508 HD22 ' HB3' ' A' ' 25' ' ' ALA . 9.7 tt -62.86 -42.38 99.73 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.217 1.007 . . . . 70.23 111.08 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.426 HD12 ' HE1' ' A' 1008 ' ' TRP . 23.2 mt -74.06 -36.8 64.38 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.928 0.891 . . . . 73.24 111.302 -174.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.62 -45.08 95.59 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 123.695 0.622 . . . . 71.25 109.524 172.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -61.09 -39.71 90.99 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.144 -0.935 . . . . 63.11 110.756 176.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -73.42 -35.78 65.87 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.501 0.72 . . . . 71.42 112.208 -177.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.1 mt -72.92 -36.07 67.17 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 110.082 -0.34 . . . . 73.32 110.082 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -66.86 -38.85 87.16 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 123.724 0.64 . . . . 64.14 110.658 173.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -64.09 -47.94 78.09 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.592 0.757 . . . . 65.31 110.277 176.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 68.9 mt -56.63 -40.94 76.27 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.2 1.0 . . . . 74.31 110.817 177.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 70.8 m . . . . . 0 N--CA 1.474 0.757 0 C-N-CA 123.528 0.731 . . . . 72.43 111.23 176.04 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 50.5 ttp . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 112.343 0.497 . . . . 64.21 112.343 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 36.1 p -67.47 -55.14 14.8 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.056 0.542 . . . . 75.03 111.642 -175.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 33.0 m -60.4 -44.85 95.29 Favored 'General case' 0 CA--C 1.549 0.94 0 O-C-N 123.462 0.476 . . . . 73.21 110.932 -175.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 56.8 mtt85 -57.77 -61.65 2.37 Favored 'General case' 0 C--N 1.354 0.785 0 O-C-N 124.102 0.876 . . . . 74.54 110.415 177.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1005 ' ' LEU . . . . . 0.523 ' O ' ' HG ' ' A' 1009 ' ' LEU . 63.5 mt -61.4 -36.91 81.62 Favored 'General case' 0 C--N 1.362 1.126 0 O-C-N 124.015 0.822 . . . . 62.21 112.761 -173.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 44.4 p -66.02 -49.87 66.2 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 118.231 0.469 . . . . 73.11 110.88 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 74.7 mtp85 -67.1 -25.45 66.22 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-O 120.8 0.333 . . . . 72.01 111.079 177.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1008 ' ' TRP . . . . . 0.49 ' O ' ' HG ' ' A' 1012 ' ' LEU . 0.1 OUTLIER -71.31 -42.6 68.43 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.619 1.167 . . . . 73.42 109.673 176.639 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 1009 ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' 1005 ' ' LEU . 89.4 mt -69.43 -33.06 72.4 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.765 -0.828 . . . . 74.33 108.765 -178.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 71.5 m -63.63 -44.48 93.77 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 114.735 -1.121 . . . . 73.54 111.288 173.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -70.32 -24.74 63.06 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.365 0.666 . . . . 72.33 111.284 176.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1012 ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' 1008 ' ' TRP . 31.6 mt -71.88 -45.65 60.58 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 123.172 0.589 . . . . 72.42 110.154 175.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -64.55 -36.35 83.92 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.147 0.579 . . . . 74.44 111.04 176.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 6.1 t30 -57.66 -54.15 50.18 Favored 'General case' 0 C--O 1.246 0.906 0 C-N-CA 124.55 1.14 . . . . 71.34 110.272 174.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 41.1 t80 -60.56 -61.92 2.24 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 114.559 -1.201 . . . . 75.41 110.55 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -43.22 -51.69 5.99 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 124.851 1.344 . . . . 65.14 112.128 178.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1017 ' ' ALA . . . . . 0.409 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -59.96 -61.81 2.33 Favored 'General case' 0 C--N 1.352 0.675 0 O-C-N 124.052 0.845 . . . . 73.12 111.284 -178.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -64.87 -35.37 80.9 Favored 'General case' 0 C--O 1.247 0.967 0 O-C-N 123.541 0.526 . . . . 73.04 112.299 -172.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1019 ' ' MET . . . . . 0.57 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.2 OUTLIER -81.48 -26.28 35.35 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 116.528 -0.305 . . . . 65.45 111.264 -175.08 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -77.06 -25.39 52.34 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 110.135 -0.32 . . . . 64.54 110.135 171.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1021 ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' 1017 ' ' ALA . 76.2 mt -83.06 -12.02 57.51 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 115.902 -0.59 . . . . 74.44 111.952 175.094 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1022 ' ' LEU . . . . . 0.57 ' HG ' ' HA ' ' A' 1019 ' ' MET . 93.7 mt . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 119.291 -0.385 . . . . 74.32 110.326 163.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.412 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 15.3 t . . . . . 0 N--CA 1.481 1.1 0 N-CA-C 112.102 0.408 . . . . 62.12 112.102 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.5 m -65.58 -38.62 90.03 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.597 0.759 . . . . 73.53 110.648 178.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 52.2 m -64.45 -44.37 91.32 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 124.575 1.15 . . . . 71.45 111.107 175.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 89.6 t -65.91 -44.73 92.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 122.737 0.415 . . . . 72.43 110.085 -178.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 2' ' ' THR . 30.5 mm-40 -58.28 -49.79 75.91 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 123.303 0.377 . . . . 75.13 110.177 175.248 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -54.21 -59.16 5.04 Favored 'General case' 0 CA--C 1.557 1.237 0 C-N-CA 124.389 1.076 . . . . 75.41 111.495 -177.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 71.9 mt -63.24 -42.32 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 124.362 1.065 . . . . 75.33 111.44 -176.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.79 -29.39 62.16 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 122.94 0.496 . . . . 75.33 111.907 -175.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.499 ' O ' HG13 ' A' ' 14' ' ' ILE . 85.8 mtt180 -74.46 -41.87 60.05 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 109.607 -0.516 . . . . 73.52 109.607 176.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 67.3 m95 -62.94 -39.28 94.15 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 123.238 0.336 . . . . 75.5 111.112 174.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -61.54 -44.06 97.73 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.812 0.845 . . . . 74.13 109.837 174.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -60.82 -43.54 98.1 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.252 1.021 . . . . 71.3 110.781 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.532 HG21 ' OG1' ' A' ' 71' ' ' THR . 79.5 mt -70.06 -38.55 75.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 123.696 0.798 . . . . 72.14 110.651 -178.355 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.47 -46.81 81.48 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.131 0.572 . . . . 63.32 110.901 177.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.52 -45.29 93.67 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.358 -0.837 . . . . 74.12 110.814 177.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 40' ' ' TYR . 31.1 mt -60.68 -52.3 65.71 Favored 'General case' 0 C--O 1.213 -0.834 0 CA-C-N 116.05 -0.523 . . . . 74.53 110.41 179.34 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.6 p -63.15 -42.12 99.39 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.347 0.659 . . . . 64.51 112.314 -174.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.44 ' O ' ' HG3' ' A' ' 23' ' ' GLU . 13.8 pt20 -67.28 -40.55 86.14 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 123.413 0.446 . . . . 71.44 110.728 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.7 m -61.74 -50.45 72.36 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 123.468 0.48 . . . . 75.31 110.212 176.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.54 ' HA ' HD13 ' A' ' 24' ' ' LEU . 62.7 mt -58.6 -35.57 72.65 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.834 1.254 . . . . 73.44 111.024 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.8 tp -65.61 -51.45 59.58 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 123.7 0.625 . . . . 74.41 110.357 178.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 19' ' ' GLN . 44.1 mt-10 -59.82 -37.69 79.9 Favored 'General case' 0 N--CA 1.484 1.238 0 O-C-N 124.13 0.894 . . . . 75.41 111.001 -179.091 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.54 HD13 ' HA ' ' A' ' 21' ' ' LEU . 38.5 mt -64.64 -46.18 83.64 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 114.556 -1.202 . . . . 73.22 110.587 176.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.406 ' HB1' HD22 ' A' ' 33' ' ' LEU . . . -71.1 -31.98 68.48 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.387 0.675 . . . . 75.1 111.562 -178.4 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -68.35 -39.66 81.77 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.954 0.902 . . . . 63.34 110.302 175.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -85.78 -19.96 29.95 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 123.158 0.583 . . . . 74.24 110.954 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.06 11.03 47.26 Favored Glycine 0 C--N 1.349 1.28 0 N-CA-C 115.747 1.059 . . . . 75.03 115.747 177.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -77.86 91.28 4.13 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-N 118.729 1.265 . . . . 74.23 110.533 169.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 33.8 m95 -79.78 -13.53 59.37 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.778 0.831 . . . . 74.42 111.002 176.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -57.36 -59.85 4.51 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.067 1.347 . . . . 74.12 111.634 -177.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.516 ' HB2' HD12 ' A' ' 24' ' ' LEU . 69.5 mt -71.42 -16.43 62.39 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 114.974 -1.012 . . . . 75.52 111.381 -178.516 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.406 HD22 ' HB1' ' A' ' 25' ' ' ALA . 11.0 mp -66.0 -51.16 60.84 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 109.352 -0.61 . . . . 72.42 109.352 167.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.3 mt -69.61 -25.07 63.77 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 123.67 0.606 . . . . 74.33 111.967 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -80.33 -58.37 3.17 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 121.341 0.591 . . . . 71.21 109.863 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -73.44 -9.83 59.09 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.581 1.152 . . . . 74.22 112.0 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.407 ' HA ' ' CZ3' ' A' 1008 ' ' TRP . 42.1 tt0 -43.63 -57.66 3.05 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 124.855 1.262 . . . . 74.43 112.648 174.303 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.0 p -60.73 -37.12 75.14 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 O-C-N 123.659 0.599 . . . . 74.45 110.899 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.8 m -76.61 -30.43 56.94 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.737 0.815 . . . . 72.33 112.381 -175.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.456 ' HA ' HD12 ' A' ' 17' ' ' LEU . 34.7 t80 -77.66 -44.11 29.13 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 109.305 -0.628 . . . . 74.04 109.305 -179.336 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.0 mt -73.04 -26.63 61.37 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 115.779 -0.646 . . . . 62.23 110.834 178.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -69.65 -47.79 62.12 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.774 0.429 . . . . 73.34 110.336 173.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.415 ' HA ' HG23 ' A' ' 46' ' ' THR . 59.5 p -63.87 -40.14 95.85 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 122.889 0.476 . . . . 70.44 110.948 -179.037 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 25.8 mt -57.46 -52.79 52.52 Favored 'Isoleucine or valine' 0 C--O 1.248 1.016 0 C-N-CA 124.249 1.02 . . . . 71.33 110.436 173.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.31 -44.0 97.52 Favored 'General case' 0 C--N 1.347 0.491 0 CA-C-N 115.335 -0.848 . . . . 73.11 111.159 -175.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.475 HG22 ' HD3' ' A' ' 10' ' ' ARG . 12.1 t -75.97 -29.33 58.21 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 122.867 0.467 . . . . 74.4 111.86 -173.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 p -77.0 -36.67 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 CA-C-N 118.426 0.557 . . . . 75.2 110.035 177.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 52.5 ttm -74.27 -25.82 59.84 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 116.001 -0.545 . . . . 70.12 109.544 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 . . . . . 0 CA--C 1.546 0.792 0 C-N-CA 123.968 0.907 . . . . 65.21 110.623 173.739 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.421 HG23 HD13 ' A' ' 60' ' ' ILE . 10.5 t . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 120.423 0.154 . . . . 73.2 111.213 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -66.74 -43.7 83.48 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.341 1.057 . . . . 74.24 112.579 -165.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.3 m -67.85 -43.77 78.71 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 122.729 0.412 . . . . 75.12 111.779 -177.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.421 HD13 HG23 ' A' ' 57' ' ' THR . 70.4 mt -60.92 -52.92 56.13 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 O-C-N 123.638 0.586 . . . . 75.32 109.442 176.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -62.93 -31.35 72.41 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 123.896 0.748 . . . . 53.25 111.561 -177.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -68.65 -53.57 21.68 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.7 0.4 . . . . 71.04 110.307 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 74.7 mtm -61.34 -49.85 75.33 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 124.076 0.86 . . . . 72.55 110.602 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.3 t -58.69 -50.44 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 124.53 1.132 . . . . 72.13 111.192 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.63 -28.59 70.02 Favored 'General case' 0 N--CA 1.482 1.162 0 O-C-N 123.474 0.484 . . . . 75.34 111.036 178.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.5 -51.98 54.21 Favored Glycine 0 C--N 1.352 1.453 0 N-CA-C 111.043 -0.823 . . . . 65.31 111.043 172.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -64.03 -32.08 73.5 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.765 0.826 . . . . 75.33 111.329 178.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 53.4 mt -67.29 -49.89 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.361 1.065 . . . . 74.54 110.331 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.2 mmpt? -63.57 -41.52 98.38 Favored 'General case' 0 C--O 1.246 0.89 0 O-C-N 123.293 0.37 . . . . 73.51 110.463 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -59.17 -58.34 9.08 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 124.578 1.174 . . . . 72.21 110.011 176.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.532 ' OG1' HG21 ' A' ' 14' ' ' ILE . 6.5 t -65.25 -39.1 92.21 Favored 'General case' 0 C--O 1.214 -0.798 0 N-CA-C 112.217 0.451 . . . . 65.42 112.217 -170.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 68.8 mt -67.55 -35.4 78.99 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.131 0.572 . . . . 72.03 111.819 177.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -67.49 -50.77 57.46 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-O 120.847 0.356 . . . . 75.4 110.478 176.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -65.84 -36.61 83.96 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.778 0.831 . . . . 75.14 111.301 -178.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -73.69 -34.39 64.85 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.734 0.814 . . . . 65.12 110.56 178.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -61.85 -47.01 86.96 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-O 121.33 0.586 . . . . 72.21 109.854 174.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 81.9 mt -64.16 -41.74 97.03 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.799 -1.091 . . . . 73.11 110.566 177.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.4 mt -57.53 -45.87 84.52 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.899 0.88 . . . . 74.24 110.832 172.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.431 ' HA ' HD22 ' A' 1009 ' ' LEU . 82.8 tttt -62.02 -51.37 68.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.802 -1.09 . . . . 74.14 110.297 -172.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -69.74 -39.66 76.71 Favored Glycine 0 C--N 1.353 1.522 0 O-C-N 124.029 0.831 . . . . 74.42 112.864 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.3 tt -58.23 -61.57 2.47 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.107 0.963 . . . . 74.3 109.227 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.49 ' HB2' HD23 ' A' 1009 ' ' LEU . 27.1 mt -62.72 -33.13 74.5 Favored 'General case' 0 C--O 1.212 -0.876 0 C-N-CA 124.711 1.204 . . . . 72.25 111.777 -178.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -62.07 -50.07 73.44 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.794 0.438 . . . . 73.13 110.893 177.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -75.32 -24.48 57.41 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 123.304 0.377 . . . . 73.23 111.211 -178.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.6 mmp_? -72.55 -44.96 61.41 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 123.501 0.501 . . . . 65.1 109.903 175.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.407 HD13 ' HB3' ' A' 1005 ' ' LEU . 89.1 mt -68.74 -37.61 79.54 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.295 0.638 . . . . 74.31 110.792 179.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.72 -50.63 71.65 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 124.241 0.963 . . . . 71.13 109.791 176.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -57.61 -56.87 16.36 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.302 -0.863 . . . . 75.24 111.207 175.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 82.4 mt -55.29 -44.21 75.51 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.684 1.194 . . . . 72.35 111.593 -178.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 92.2 p . . . . . 0 N--CA 1.477 0.878 0 C-N-CA 122.325 0.25 . . . . 73.2 110.948 -179.4 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 25.2 ttm . . . . . 0 N--CA 1.482 1.155 0 CA-C-O 120.967 0.413 . . . . 71.42 110.84 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 39.9 p -68.1 -45.69 73.0 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.175 -0.92 . . . . 74.5 111.047 -176.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 90.6 m -62.18 -42.11 98.97 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.103 0.561 . . . . 62.42 111.384 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 75.6 mtt-85 -57.64 -56.41 22.32 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 123.831 0.707 . . . . 74.14 110.077 175.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1005 ' ' LEU . . . . . 0.541 ' HA ' ' HB3' ' A' 1008 ' ' TRP . 63.3 mt -74.44 -24.27 59.05 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 124.077 0.861 . . . . 71.2 112.991 -170.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 38.6 p -77.32 -40.54 43.92 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-N 118.935 0.789 . . . . 71.23 110.058 174.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 23.6 tpt180 -62.83 -34.46 77.37 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-O 121.503 0.668 . . . . 73.44 110.084 172.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1008 ' ' TRP . . . . . 0.541 ' HB3' ' HA ' ' A' 1005 ' ' LEU . 9.4 t-105 -65.27 -52.3 55.21 Favored 'General case' 0 C--O 1.216 -0.66 0 C-N-CA 124.955 1.302 . . . . 75.4 109.671 175.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1009 ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' 1005 ' ' LEU . 92.1 mt -63.87 -33.83 76.58 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.183 0.593 . . . . 73.45 112.32 -176.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 13.8 t -78.57 -29.7 46.37 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 110.583 -0.154 . . . . 70.53 110.583 177.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -70.97 -32.45 69.31 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 122.773 0.429 . . . . 72.45 110.777 172.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1012 ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' 1008 ' ' TRP . 28.1 mt -67.88 -44.12 77.76 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 123.455 0.702 . . . . 64.31 109.142 174.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 21.9 t70 -63.56 -34.92 78.87 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.143 -0.935 . . . . 74.12 110.72 178.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 61.8 t30 -68.82 -44.71 72.93 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.575 0.75 . . . . 74.41 110.286 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 49.2 t80 -62.33 -60.09 4.06 Favored 'General case' 0 C--O 1.214 -0.797 0 O-C-N 123.746 0.654 . . . . 74.33 110.043 176.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -42.2 -57.47 2.51 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.98 1.712 . . . . 74.35 112.265 177.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1017 ' ' ALA . . . . . 0.45 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -62.77 -60.09 3.97 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.275 -0.875 . . . . 74.23 111.554 -177.366 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 20.4 tptm -67.06 -29.94 69.86 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 112.171 0.434 . . . . 70.42 112.171 -172.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1019 ' ' MET . . . . . 0.561 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.1 OUTLIER -78.1 -28.9 48.75 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 109.903 -0.406 . . . . 74.12 109.903 178.24 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -74.54 -15.38 60.86 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.405 0.282 . . . . 71.23 110.781 168.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1021 ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' 1017 ' ' ALA . 86.2 mt -89.02 -16.47 31.58 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.484 0.714 . . . . 73.12 111.756 171.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1022 ' ' LEU . . . . . 0.561 ' HG ' ' HA ' ' A' 1019 ' ' MET . 85.2 mt . . . . . 0 N--CA 1.503 2.22 0 C-N-CA 123.039 0.535 . . . . 73.2 110.831 169.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.7 p . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 112.365 0.506 . . . . 63.22 112.365 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.7 m -62.33 -41.13 98.32 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 123.407 0.683 . . . . 75.04 111.973 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 95.6 m -59.71 -57.29 13.55 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.051 0.94 . . . . 73.51 110.66 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 75.5 t -59.58 -52.42 61.18 Favored 'Isoleucine or valine' 0 C--N 1.348 0.512 0 CA-C-N 115.287 -0.87 . . . . 73.41 110.851 -176.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -64.35 -39.95 94.91 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 119.207 -0.425 . . . . 75.34 111.073 -174.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -61.54 -51.91 66.62 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.43 0.692 . . . . 74.12 111.116 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.483 HD11 ' HE3' ' A' ' 63' ' ' MET . 95.1 mt -67.44 -33.28 61.46 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 CA-C-N 115.047 -0.979 . . . . 74.52 111.076 -177.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.99 -24.83 37.72 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.508 0.723 . . . . 75.32 111.747 -179.151 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.481 ' O ' HG13 ' A' ' 14' ' ' ILE . 80.4 mtt180 -72.73 -44.86 61.13 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 108.797 -0.816 . . . . 63.55 108.797 172.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 37.3 m95 -60.46 -40.7 92.15 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 123.575 0.547 . . . . 72.21 111.194 173.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -65.16 -40.2 94.0 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.576 0.75 . . . . 73.21 110.311 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -62.01 -45.71 92.41 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 123.96 0.788 . . . . 75.34 110.272 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 10' ' ' ARG . 67.5 mt -63.75 -45.6 96.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 124.018 0.824 . . . . 72.04 110.874 178.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.57 -50.45 72.58 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.571 0.748 . . . . 73.31 111.59 -176.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.45 -41.94 96.24 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 123.992 0.808 . . . . 73.52 110.64 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.5 mt -62.74 -39.44 94.09 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.005 0.522 . . . . 73.14 110.874 175.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.9 t -69.58 -43.84 72.02 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.364 0.665 . . . . 72.3 110.786 -173.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -72.32 -34.48 68.11 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 123.405 0.44 . . . . 75.24 111.397 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.418 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 72.4 m -63.6 -52.56 60.37 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 122.576 0.35 . . . . 74.43 110.363 174.324 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.615 HD12 ' HH2' ' A' 1008 ' ' TRP . 80.4 mt -63.15 -28.76 70.28 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.155 0.982 . . . . 70.41 110.876 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.512 HD21 ' HA ' ' A' ' 74' ' ' ASN . 32.2 tp -66.47 -50.12 64.36 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 123.386 0.429 . . . . 74.22 110.345 175.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -52.49 -45.89 66.38 Favored 'General case' 0 N--CA 1.485 1.325 0 O-C-N 124.078 0.861 . . . . 75.11 110.047 176.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.564 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 82.1 mt -69.54 -35.0 75.02 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 113.847 -1.524 . . . . 74.22 112.087 -177.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.491 ' HB1' HD21 ' A' ' 81' ' ' LEU . . . -68.32 -38.73 81.85 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 122.88 0.472 . . . . 74.34 110.467 178.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -65.66 -38.82 90.39 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 115.28 -0.873 . . . . 74.31 110.202 175.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -76.04 -20.75 57.52 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.514 0.726 . . . . 74.35 112.282 177.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.49 23.59 53.39 Favored Glycine 0 C--N 1.339 0.736 0 CA-C-N 116.808 -0.178 . . . . 64.34 113.34 -178.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.564 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 23.1 mm-40 -76.47 75.54 3.21 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.501 1.12 . . . . 75.13 110.448 175.059 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 20.1 m95 -72.05 -35.19 69.25 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.06 0.544 . . . . 73.21 111.612 -173.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -63.81 -36.74 84.9 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.562 0.745 . . . . 74.31 110.666 -179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.0 mt -72.32 -37.47 68.92 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 123.233 0.613 . . . . 72.4 110.691 178.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.443 ' HA ' HD23 ' A' ' 21' ' ' LEU . 9.4 mp -61.04 -43.36 99.0 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 122.753 0.421 . . . . 74.23 110.815 172.341 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.6 mt -73.95 -27.55 61.06 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.051 0.94 . . . . 64.11 111.883 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -74.92 -49.32 20.62 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.697 0.799 . . . . 74.1 110.294 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.466 ' HB2' HD21 ' A' ' 21' ' ' LEU . 10.6 mt-30 -85.75 -9.96 56.29 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.044 0.938 . . . . 74.42 111.61 -176.345 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.452 ' HG3' ' HE3' ' A' 1008 ' ' TRP . 40.9 tt0 -44.44 -52.71 7.58 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.347 1.459 . . . . 73.45 112.446 173.048 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.9 p -53.4 -46.95 59.0 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 O-C-N 124.177 0.923 . . . . 64.41 111.32 178.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.3 m -68.77 -38.99 80.44 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.137 0.975 . . . . 73.34 111.985 -175.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -73.04 -49.73 27.07 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.485 0.714 . . . . 74.11 110.61 -174.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.0 mt -64.99 -37.93 89.29 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 123.906 0.754 . . . . 73.23 110.729 179.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -61.82 -45.7 92.72 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.282 0.633 . . . . 74.11 111.024 176.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.422 ' HA ' HG22 ' A' ' 46' ' ' THR . 8.9 t -66.03 -37.21 85.29 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 123.06 0.544 . . . . 74.0 110.735 -178.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 17.6 mt -59.64 -56.95 13.91 Favored 'Isoleucine or valine' 0 C--O 1.251 1.15 0 C-N-CA 124.659 1.183 . . . . 73.11 111.119 175.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -68.74 -29.94 68.45 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.739 -0.664 . . . . 74.32 111.002 -174.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.422 HG22 ' HA ' ' A' ' 43' ' ' SER . 6.7 t -79.28 -30.12 42.84 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 111.931 0.345 . . . . 74.43 111.931 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 p -75.83 -35.6 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-N 118.979 0.809 . . . . 73.45 110.014 176.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 41.9 ttm -73.58 -26.11 60.67 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 109.547 -0.538 . . . . 72.43 109.547 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 . . . . . 0 N--CA 1.477 0.882 0 C-N-CA 124.229 1.012 . . . . 74.12 110.632 167.674 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.6 t . . . . . 0 CA--C 1.553 1.085 0 N-CA-C 111.907 0.336 . . . . 71.41 111.907 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -53.75 -55.5 25.74 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.17 1.388 . . . . 73.22 112.863 -170.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.9 m -65.45 -44.15 88.15 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.236 0.614 . . . . 64.41 111.835 -173.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 65.7 mt -60.82 -51.16 76.39 Favored 'Isoleucine or valine' 0 C--N 1.358 0.938 0 N-CA-C 109.304 -0.628 . . . . 74.5 109.304 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 23.9 tm0? -57.54 -45.09 85.51 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 123.945 0.778 . . . . 73.04 110.744 -178.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -62.9 -54.56 36.78 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.86 0.864 . . . . 64.41 111.264 -176.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.483 ' HE3' HD11 ' A' ' 8' ' ' ILE . 78.3 mtm -62.03 -49.53 75.64 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 123.784 0.677 . . . . 75.31 110.787 -178.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.2 t -58.36 -44.69 88.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 123.858 0.863 . . . . 75.21 111.079 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.94 -30.9 71.55 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.451 0.701 . . . . 74.0 111.281 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.69 -47.27 85.33 Favored Glycine 0 C--N 1.35 1.317 0 N-CA-C 111.42 -0.672 . . . . 64.34 111.42 173.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -67.96 -33.48 74.73 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.61 0.764 . . . . 74.34 111.356 179.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.446 HG12 ' HE2' ' A' 1019 ' ' MET . 18.0 mt -65.57 -48.0 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 124.695 1.198 . . . . 71.24 109.654 177.206 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -63.06 -41.99 99.58 Favored 'General case' 0 C--O 1.246 0.911 0 C-N-CA 123.541 0.736 . . . . 74.31 110.19 -179.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -59.81 -58.71 7.41 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 115.213 -0.903 . . . . 73.2 110.195 176.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.1 t -65.95 -33.78 76.6 Favored 'General case' 0 C--O 1.206 -1.2 0 CA-C-O 119.002 -0.523 . . . . 75.45 111.894 -173.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.523 HD22 ' SD ' ' A' 1019 ' ' MET . 56.4 mt -67.84 -40.78 83.66 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 118.466 0.575 . . . . 75.13 111.386 177.574 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.42 ' O ' ' HB3' ' A' ' 76' ' ' GLN . 27.9 t70 -73.78 -47.24 40.33 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-O 121.578 0.704 . . . . 72.12 111.442 -179.257 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.512 ' HA ' HD21 ' A' ' 22' ' ' LEU . 15.0 m120 -69.41 -38.27 77.86 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.259 -0.882 . . . . 61.21 110.644 -176.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.679 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 34.9 tt0 -75.18 -32.24 61.2 Favored 'General case' 0 C--O 1.209 -1.072 0 O-C-N 123.439 0.462 . . . . 71.13 110.676 175.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.42 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 19.1 tt0 -52.22 -49.25 64.33 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 121.516 0.674 . . . . 72.53 109.713 170.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.4 mt -71.93 -31.65 66.55 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 114.745 -1.116 . . . . 74.33 111.711 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.679 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 11.0 mt -62.42 -65.53 0.68 Allowed 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 123.042 0.537 . . . . 73.15 111.093 175.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 19.7 pttp -70.2 -23.39 62.95 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.194 0.598 . . . . 75.12 112.038 -175.56 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.92 -50.66 45.46 Favored Glycine 0 C--N 1.348 1.198 0 N-CA-C 112.344 -0.302 . . . . 72.31 112.344 170.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.491 HD21 ' HB1' ' A' ' 25' ' ' ALA . 8.6 tt -65.82 -40.32 91.71 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.879 0.872 . . . . 71.25 110.993 179.513 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.442 HD12 ' HE1' ' A' 1008 ' ' TRP . 37.7 mt -79.72 -30.45 40.94 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.768 0.827 . . . . 75.11 111.961 -173.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -69.62 -43.63 72.31 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 108.726 -0.842 . . . . 75.01 108.726 170.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -59.24 -40.17 85.07 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 123.843 0.715 . . . . 75.22 109.89 174.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.528 ' HA ' ' HE ' ' A' ' 85' ' ' ARG . 0.1 OUTLIER -64.74 -56.78 11.5 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 123.623 0.769 . . . . 75.53 110.335 -177.095 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.52 HD11 ' HB3' ' A' 1005 ' ' LEU . 86.3 mt -69.61 -21.81 63.55 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 123.621 0.576 . . . . 75.01 112.114 -176.269 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -76.6 -43.39 38.76 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.111 0.564 . . . . 73.53 110.104 175.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -61.19 -48.56 80.98 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.153 0.581 . . . . 74.1 109.686 173.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 89.5 mt -59.08 -43.89 91.84 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 124.407 1.083 . . . . 74.33 110.979 178.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.1 t . . . . . 0 N--CA 1.482 1.167 0 C-N-CA 123.026 0.53 . . . . 73.34 110.752 177.617 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 47.1 ttp . . . . . 0 CA--C 1.538 0.488 0 N-CA-C 110.048 -0.353 . . . . 71.23 110.048 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 25.2 p -65.73 -48.46 71.86 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 123.457 0.473 . . . . 52.44 111.076 -178.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 39.1 p -63.15 -45.19 93.04 Favored 'General case' 0 C--O 1.248 0.982 0 O-C-N 123.426 0.454 . . . . 73.54 112.053 -176.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -66.21 -44.07 84.94 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-O 118.949 -0.548 . . . . 74.11 110.809 178.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1005 ' ' LEU . . . . . 0.52 ' HB3' HD11 ' A' ' 86' ' ' LEU . 35.7 mt -70.51 -29.24 65.7 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 118.902 -0.57 . . . . 72.13 112.504 -178.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 41.2 p -73.28 -44.44 59.19 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 118.991 0.814 . . . . 74.21 110.446 176.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -57.48 -40.57 78.86 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.43 0.692 . . . . 70.14 110.364 171.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1008 ' ' TRP . . . . . 0.615 ' HH2' HD12 ' A' ' 21' ' ' LEU . 3.4 t-105 -61.49 -49.07 78.22 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 125.069 1.348 . . . . 74.3 110.142 177.439 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1009 ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' 1005 ' ' LEU . 63.6 mt -64.9 -40.76 95.59 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.045 0.538 . . . . 74.02 111.734 -176.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 14.7 t -72.04 -28.8 63.59 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 119.524 -0.274 . . . . 75.44 110.551 178.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -75.21 -30.01 60.47 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.195 0.598 . . . . 70.44 111.351 175.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1012 ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' 1008 ' ' TRP . 16.6 mt -72.42 -49.8 30.97 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 121.272 0.558 . . . . 73.1 110.066 177.357 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 19.6 t70 -62.16 -36.96 83.42 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 115.198 -0.91 . . . . 75.43 110.113 177.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 8.2 t30 -60.9 -46.17 91.71 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.065 0.946 . . . . 72.13 110.768 172.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 34.6 t80 -59.28 -61.22 2.79 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-O 119.151 -0.452 . . . . 74.34 109.896 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.05 -48.65 52.8 Favored 'General case' 0 C--O 1.248 1.02 0 C-N-CA 124.797 1.239 . . . . 75.02 112.039 -177.166 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -61.4 -60.29 3.96 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 115.278 -0.874 . . . . 54.04 111.811 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -67.43 -29.42 68.89 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.576 0.75 . . . . 74.43 111.369 -173.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1019 ' ' MET . . . . . 0.621 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.4 OUTLIER -80.85 -26.67 36.82 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 120.484 0.183 . . . . 74.41 110.657 -178.902 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -68.68 -32.96 73.16 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 110.043 -0.355 . . . . 65.3 110.043 166.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 91.0 mt -80.73 -12.35 59.48 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.553 0.741 . . . . 74.12 112.826 178.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1022 ' ' LEU . . . . . 0.621 ' HG ' ' HA ' ' A' 1019 ' ' MET . 57.6 mt . . . . . 0 N--CA 1.494 1.764 0 C-N-CA 122.833 0.453 . . . . 73.22 111.553 169.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.5 m . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 111.536 0.199 . . . . 74.14 111.536 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.8 m -63.02 -44.09 96.94 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.835 0.854 . . . . 74.32 110.938 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 87.2 m -55.32 -57.95 9.72 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.584 1.154 . . . . 64.0 110.839 176.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.9 t -60.64 -44.42 96.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 115.116 -0.947 . . . . 74.44 110.237 -175.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -56.32 -53.11 61.19 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.217 1.007 . . . . 73.42 110.725 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.516 ' HA ' HH21 ' A' ' 10' ' ' ARG . 10.7 t80 -64.88 -52.9 54.03 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 114.663 -1.153 . . . . 72.43 110.894 -171.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.442 HD11 HG12 ' A' ' 60' ' ' ILE . 82.4 mt -62.18 -45.75 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 O-C-N 124.139 0.899 . . . . 75.31 111.237 -177.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -65.58 -42.02 92.2 Favored 'General case' 0 N--CA 1.484 1.24 0 O-C-N 123.649 0.593 . . . . 64.14 111.251 -176.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.537 ' NH1' ' HA ' ' A' ' 47' ' ' VAL . 87.7 mtm180 -62.16 -54.35 42.37 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 123.41 0.444 . . . . 71.5 110.442 177.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 77.4 m95 -61.12 -33.03 72.74 Favored 'General case' 0 N--CA 1.483 1.177 0 O-C-N 123.705 0.628 . . . . 75.24 112.134 -178.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -65.08 -47.06 78.62 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.171 0.588 . . . . 74.31 109.71 177.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -60.39 -46.9 88.33 Favored 'General case' 0 C--N 1.355 0.821 0 O-C-N 123.886 0.741 . . . . 73.4 110.725 177.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 10' ' ' ARG . 79.9 mt -63.59 -38.91 83.5 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 123.761 0.824 . . . . 74.2 110.983 -176.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.17 -45.69 76.22 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.337 0.655 . . . . 72.22 111.14 178.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.1 mt -71.09 -32.84 69.57 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.0 0.52 . . . . 65.21 111.132 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.409 HD11 ' HA ' ' A' ' 40' ' ' TYR . 40.7 mt -66.64 -54.26 25.22 Favored 'General case' 0 C--O 1.213 -0.841 0 C-N-CA 123.282 0.633 . . . . 75.43 109.347 177.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.4 p -62.68 -35.51 79.92 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.489 0.716 . . . . 64.05 110.969 -177.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.411 ' HA ' ' OD1' ' A' ' 74' ' ' ASN . 31.6 tt0 -56.59 -63.09 1.31 Allowed 'General case' 0 C--O 1.249 1.032 0 C-N-CA 124.203 1.001 . . . . 64.12 110.982 173.461 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.471 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 57.3 m -52.83 -54.63 31.61 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 124.634 1.209 . . . . 73.22 110.456 179.181 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.57 HD23 ' HB2' ' A' ' 36' ' ' GLN . 82.1 mt -58.47 -36.19 73.34 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.831 1.252 . . . . 74.14 111.864 -177.287 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.558 HD22 ' HA ' ' A' ' 74' ' ' ASN . 43.6 tp -65.24 -49.46 69.56 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 109.98 -0.378 . . . . 72.3 109.98 177.078 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -59.86 -34.65 73.4 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 123.927 0.767 . . . . 75.33 110.447 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.527 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 92.4 mt -74.59 -32.03 62.23 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.971 0.908 . . . . 73.4 111.096 178.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.466 ' HB1' HD23 ' A' ' 81' ' ' LEU . . . -69.81 -38.13 76.49 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.098 0.559 . . . . 73.53 110.082 177.238 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -67.6 -36.97 81.86 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.236 -0.893 . . . . 71.05 110.411 174.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.1 mtp85 -74.08 -25.24 59.7 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.422 0.689 . . . . 72.44 112.066 177.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.13 24.13 52.95 Favored Glycine 0 C--N 1.339 0.731 0 O-C-N 123.215 0.322 . . . . 72.32 113.218 -175.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.527 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 52.5 mm-40 -77.56 68.08 3.59 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.683 0.793 . . . . 75.31 110.235 172.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 32.5 m95 -66.09 -30.37 70.86 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.154 0.582 . . . . 73.22 110.827 -173.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -69.25 -41.97 76.21 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.763 0.825 . . . . 70.32 110.678 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 71.8 mt -67.94 -32.35 72.72 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 122.896 0.478 . . . . 73.24 110.866 176.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.9 mt -62.81 -47.43 83.47 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.528 0.518 . . . . 74.41 110.21 173.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.9 mt -64.64 -38.17 90.1 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 124.149 0.906 . . . . 75.1 111.762 179.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -62.32 -56.18 20.9 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 121.808 0.813 . . . . 71.51 110.02 -179.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.57 ' HB2' HD23 ' A' ' 21' ' ' LEU . 14.1 mt-30 -83.46 -10.23 58.5 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 114.238 -1.346 . . . . 72.14 112.047 -174.135 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.27 -53.03 11.48 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.957 1.303 . . . . 74.14 111.022 174.252 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.488 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 72.0 t -52.34 -61.55 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.883 0 O-C-N 124.533 1.146 . . . . 72.21 109.627 178.231 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.8 m -50.45 -43.49 55.23 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 124.728 1.267 . . . . 75.45 112.01 -176.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.409 ' HA ' HD11 ' A' ' 17' ' ' LEU . 35.5 t80 -68.82 -47.32 66.35 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 123.947 0.779 . . . . 71.42 110.854 -175.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.542 HD13 ' HA ' ' A' 1008 ' ' TRP . 76.9 mt -71.93 -29.12 63.96 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 123.402 0.439 . . . . 73.25 111.983 -176.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 18.0 mm100 -76.63 -34.88 58.31 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 122.944 0.498 . . . . 74.24 110.069 177.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.6 m -64.81 -43.66 92.43 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.0 0.52 . . . . 62.24 110.354 173.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 25.6 mt -55.69 -49.8 71.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.695 1.198 . . . . 74.15 110.596 174.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -59.86 -55.76 30.17 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.107 -0.951 . . . . 64.02 110.377 -178.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.2 t -64.13 -31.08 72.15 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 123.857 0.723 . . . . 74.13 111.648 -173.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.537 ' HA ' ' NH1' ' A' ' 10' ' ' ARG . 1.9 p -75.72 -38.85 38.3 Favored 'Isoleucine or valine' 0 C--N 1.363 1.174 0 N-CA-C 110.473 -0.195 . . . . 72.11 110.473 179.42 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 42.1 ttm -79.29 -12.45 59.94 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.148 0.579 . . . . 75.42 110.827 -177.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 . . . . . 0 CA--C 1.553 1.07 0 N-CA-C 112.048 0.388 . . . . 74.32 112.048 171.074 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.0 t . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 111.855 0.317 . . . . 64.12 111.855 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -31.49 66.85 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.771 0.829 . . . . 74.13 112.375 -170.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.9 m -67.17 -57.78 6.09 Favored 'General case' 0 C--O 1.256 1.423 0 C-N-CA 123.45 0.7 . . . . 72.01 110.442 -177.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.442 HG12 HD11 ' A' ' 8' ' ' ILE . 65.7 mt -62.43 -47.45 92.96 Favored 'Isoleucine or valine' 0 C--N 1.36 1.03 0 CA-C-N 115.046 -0.979 . . . . 74.12 109.721 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -59.08 -43.25 91.77 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 123.916 0.76 . . . . 74.31 111.281 -178.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -65.24 -52.09 56.77 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 123.396 0.435 . . . . 74.14 110.618 -177.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 58.8 mtm -61.74 -48.76 79.27 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.697 0.623 . . . . 73.24 110.804 -178.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.406 HG11 ' CE1' ' A' ' 7' ' ' PHE . 18.6 t -64.09 -41.03 91.18 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.823 0 C-N-CA 124.044 0.938 . . . . 73.11 111.441 -178.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.444 ' HA ' ' HB ' ' A' ' 68' ' ' ILE . . . -69.31 -29.33 67.15 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 122.843 0.457 . . . . 61.41 110.658 179.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.72 -41.15 93.93 Favored Glycine 0 C--N 1.347 1.17 0 N-CA-C 111.272 -0.731 . . . . 71.01 111.272 170.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -67.93 -33.8 75.37 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.793 0.837 . . . . 73.42 110.796 175.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.458 HG12 ' HE3' ' A' 1019 ' ' MET . 20.0 mt -68.7 -47.82 74.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 125.127 1.371 . . . . 74.53 109.714 -179.164 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -69.81 -37.73 76.37 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 123.683 0.614 . . . . 74.11 110.049 -178.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -60.43 -53.41 57.92 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 123.98 0.8 . . . . 73.3 110.061 175.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.426 ' OG1' HG22 ' A' ' 14' ' ' ILE . 5.9 t -71.66 -35.1 70.24 Favored 'General case' 0 C--O 1.203 -1.367 0 CA-C-O 118.926 -0.559 . . . . 63.0 111.412 -173.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.4 mt -67.86 -40.6 83.6 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 118.272 0.487 . . . . 73.13 110.924 178.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -64.92 -55.33 19.92 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.797 0.685 . . . . 73.44 110.081 177.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.558 ' HA ' HD22 ' A' ' 22' ' ' LEU . 0.8 OUTLIER -69.96 -31.4 69.11 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 114.864 -1.062 . . . . 74.14 111.48 -171.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -79.6 -37.88 35.24 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 123.47 0.481 . . . . 74.12 111.286 178.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -63.51 -35.85 81.84 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 109.417 -0.586 . . . . 73.12 109.417 175.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.6 mt -68.34 -40.94 81.39 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.418 0.687 . . . . 64.0 110.807 173.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.8 mt -58.06 -43.89 87.16 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.208 0.603 . . . . 74.45 110.85 171.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 83' ' ' GLN . 8.3 tmtt? -67.53 -46.3 73.23 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.252 1.021 . . . . 72.5 109.048 -172.393 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -72.88 -41.17 50.11 Favored Glycine 0 C--N 1.343 0.927 0 O-C-N 124.066 0.854 . . . . 55.11 113.112 -177.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.466 HD23 ' HB1' ' A' ' 25' ' ' ALA . 10.0 tt -64.02 -48.68 75.38 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.604 0.761 . . . . 75.23 109.711 179.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.451 ' HB2' HD21 ' A' 1009 ' ' LEU . 39.1 mt -77.07 -23.2 51.98 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.644 0.778 . . . . 65.53 111.813 -176.018 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.406 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 0.5 OUTLIER -65.91 -53.61 37.23 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 107.503 -1.295 . . . . 74.15 107.503 170.162 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.27 -37.02 76.6 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 124.648 1.218 . . . . 72.2 109.933 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -69.43 -55.51 10.09 Favored 'General case' 0 C--N 1.346 0.421 0 C-N-CA 123.961 0.904 . . . . 74.51 110.806 -176.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.514 HD13 ' HB3' ' A' 1005 ' ' LEU . 96.0 mt -66.17 -36.86 84.22 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.904 0.482 . . . . 72.02 111.043 -177.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -64.79 -45.03 88.01 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 124.338 1.024 . . . . 72.41 110.423 177.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -63.06 -53.75 48.8 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 123.744 0.652 . . . . 71.12 110.036 178.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 92.6 mt -50.15 -52.92 31.29 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.476 1.11 . . . . 72.1 110.66 178.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 78.2 p . . . . . 0 N--CA 1.474 0.729 0 C-N-CA 123.283 0.633 . . . . 73.42 111.336 -178.714 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 54.2 ttp . . . . . 0 N--CA 1.472 0.642 0 CA-C-O 120.438 0.161 . . . . 75.24 110.955 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 29.0 p -67.61 -48.31 67.15 Favored 'General case' 0 C--N 1.345 0.398 0 O-C-N 123.772 0.67 . . . . 74.32 111.657 -173.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 14.5 t -64.02 -40.23 95.87 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 123.156 0.285 . . . . 75.25 111.426 -177.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -69.94 -39.26 76.17 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 123.255 0.347 . . . . 75.14 110.728 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1005 ' ' LEU . . . . . 0.584 ' HA ' ' HB3' ' A' 1008 ' ' TRP . 39.4 mt -77.16 -22.78 51.97 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 118.684 -0.674 . . . . 73.11 112.664 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 27.8 p -78.92 -42.51 26.92 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-N 119.273 0.942 . . . . 74.54 109.834 175.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -57.36 -40.05 77.28 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 115.816 -0.629 . . . . 73.42 110.276 169.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1008 ' ' TRP . . . . . 0.584 ' HB3' ' HA ' ' A' 1005 ' ' LEU . 1.2 t-105 -61.16 -53.52 55.95 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 114.712 -1.131 . . . . 73.3 110.799 175.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1009 ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' 1005 ' ' LEU . 88.4 mt -62.29 -39.14 92.01 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.259 0.624 . . . . 75.53 111.469 -175.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 13.0 t -74.14 -30.05 62.1 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 122.888 0.117 . . . . 70.55 110.943 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -74.45 -29.41 61.46 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 122.83 0.452 . . . . 72.42 110.808 175.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1012 ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' 1008 ' ' TRP . 21.4 mt -69.1 -48.34 62.85 Favored 'General case' 0 C--N 1.359 0.986 0 N-CA-C 109.073 -0.714 . . . . 75.54 109.073 174.168 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 33.3 t70 -58.4 -40.7 83.14 Favored 'General case' 0 C--O 1.246 0.892 0 CA-C-N 114.561 -1.2 . . . . 74.33 110.148 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 8.0 t30 -62.7 -48.63 78.42 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.578 1.151 . . . . 74.43 110.823 176.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 67.2 t80 -60.28 -59.48 5.33 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 123.287 0.635 . . . . 74.4 110.235 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -46.63 -56.8 5.53 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.459 1.503 . . . . 74.24 110.737 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -61.29 -53.82 51.86 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 124.027 0.829 . . . . 71.54 111.85 -175.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -71.84 -25.06 61.82 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.274 0.629 . . . . 74.32 111.911 -173.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1019 ' ' MET . . . . . 0.586 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.6 OUTLIER -88.43 -19.3 26.72 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 110.501 -0.185 . . . . 74.45 110.501 179.133 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -75.49 -25.02 56.96 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 109.339 -0.615 . . . . 71.04 109.339 165.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 92.8 mt -75.08 -31.04 61.11 Favored 'General case' 0 C--N 1.358 0.971 0 CA-C-O 118.377 -0.82 . . . . 72.22 111.552 171.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1022 ' ' LEU . . . . . 0.586 ' HG ' ' HA ' ' A' 1019 ' ' MET . 61.0 mt . . . . . 0 N--CA 1.505 2.295 0 O-C-N 123.743 0.652 . . . . 74.43 111.958 174.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.486 1.345 0 N-CA-C 111.829 0.307 . . . . 70.13 111.829 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.8 p -67.08 -37.94 84.87 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.1 0.56 . . . . 74.13 111.13 176.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.1 m -59.59 -47.5 85.32 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.52 1.128 . . . . 64.34 110.784 174.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.8 t -64.32 -47.46 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 115.804 -0.635 . . . . 75.22 110.298 -178.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -52.1 -59.92 3.81 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 123.862 0.726 . . . . 75.25 110.175 176.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -58.62 -59.2 5.77 Favored 'General case' 0 CA--C 1.556 1.208 0 CA-C-N 114.994 -1.003 . . . . 72.31 111.82 -172.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.582 HD11 HG12 ' A' ' 60' ' ' ILE . 71.0 mt -63.42 -47.73 90.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 123.588 0.755 . . . . 74.34 111.607 -175.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.452 ' N ' HD21 ' A' ' 9' ' ' ASN . 0.7 OUTLIER -72.15 -30.49 65.06 Favored 'General case' 0 N--CA 1.485 1.308 0 O-C-N 123.31 0.381 . . . . 63.22 111.554 -172.475 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.506 ' O ' HG13 ' A' ' 14' ' ' ILE . 95.2 mtt180 -71.57 -46.62 58.89 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 119.185 -0.436 . . . . 75.54 110.235 174.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 59.5 m95 -59.75 -37.51 79.19 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-O 120.769 0.319 . . . . 75.1 111.356 175.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -66.21 -41.62 89.88 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.954 0.902 . . . . 70.5 109.997 177.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -62.04 -42.3 99.03 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.878 0.871 . . . . 75.13 110.761 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.513 HG22 ' OG1' ' A' ' 71' ' ' THR . 59.8 mt -68.74 -38.71 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.416 0.686 . . . . 72.31 110.209 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.52 -44.83 89.63 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 122.864 0.466 . . . . 74.3 111.18 178.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.5 mt -66.3 -44.19 84.15 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.555 0.742 . . . . 72.41 110.822 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 45.9 mt -64.11 -44.62 91.73 Favored 'General case' 0 C--O 1.212 -0.891 0 CA-C-N 115.842 -0.617 . . . . 73.25 110.162 178.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.7 t -65.0 -40.72 95.35 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.166 0.586 . . . . 65.34 111.442 -175.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.499 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 13.5 pt20 -70.18 -39.99 74.94 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 123.408 0.443 . . . . 74.31 110.514 178.44 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.447 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 65.5 m -61.73 -52.5 64.02 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 123.326 0.391 . . . . 73.15 110.268 177.167 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.575 HD13 ' HH2' ' A' 1008 ' ' TRP . 65.0 mt -62.31 -34.24 76.22 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.766 1.226 . . . . 72.45 110.84 -179.098 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.8 tp -62.71 -50.97 69.02 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 123.462 0.477 . . . . 74.02 110.219 175.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' A' ' 19' ' ' GLN . 19.5 mm-40 -58.5 -35.19 71.85 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 123.777 0.673 . . . . 74.51 111.083 178.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.516 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 88.7 mt -75.77 -30.9 59.3 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.717 0.807 . . . . 75.1 111.526 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.493 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -71.95 -35.32 69.54 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-O 121.109 0.48 . . . . 74.05 110.187 176.482 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -70.67 -38.53 73.78 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.26 -0.882 . . . . 75.33 109.86 175.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -73.31 -27.41 61.52 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.763 0.825 . . . . 71.03 111.281 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.53 17.1 53.75 Favored Glycine 0 C--N 1.341 0.828 0 CA-C-N 116.285 -0.416 . . . . 74.34 113.435 -175.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.516 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 22.5 mm-40 -76.94 71.41 3.45 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.535 0.734 . . . . 73.41 110.452 171.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 27.6 m95 -67.29 -31.98 72.66 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 115.666 -0.697 . . . . 73.12 110.091 -179.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -66.02 -38.73 89.18 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 114.894 -1.048 . . . . 62.13 111.179 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.1 mt -74.7 -27.02 60.21 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 122.927 0.491 . . . . 73.32 111.235 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 74.3 mt -63.72 -45.38 90.24 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 109.435 -0.58 . . . . 73.24 109.435 170.195 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.477 HD21 ' HG ' ' A' 1005 ' ' LEU . 88.4 mt -68.28 -33.46 74.4 Favored 'General case' 0 N--CA 1.481 1.097 0 O-C-N 123.931 0.769 . . . . 75.3 112.216 178.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -68.4 -51.94 38.48 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 121.706 0.765 . . . . 75.31 109.994 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.42 ' HB2' HD23 ' A' ' 21' ' ' LEU . 14.4 mt-30 -85.43 -8.52 58.35 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.817 1.247 . . . . 74.22 112.448 -176.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.439 ' HG3' ' CE3' ' A' 1008 ' ' TRP . 35.7 tt0 -43.7 -54.79 4.81 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.7 1.2 . . . . 75.05 112.106 175.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 31.4 t -61.28 -36.69 74.54 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 O-C-N 124.126 0.891 . . . . 72.02 111.132 -177.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.4 t -68.48 -41.52 80.01 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.067 0.947 . . . . 74.25 111.878 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -72.45 -43.93 63.09 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.07 0.548 . . . . 75.31 110.496 -175.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.4 mt -68.43 -32.42 72.44 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 115.399 -0.819 . . . . 63.53 110.192 178.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -60.37 -54.6 43.72 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.451 0.7 . . . . 64.22 110.747 173.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.7 p -61.9 -37.14 83.48 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 123.948 0.78 . . . . 61.15 111.563 -177.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.7 mt -61.65 -50.91 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.767 0.827 . . . . 74.11 111.219 174.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -60.19 -46.49 89.54 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 123.776 0.672 . . . . 64.2 110.518 -177.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.404 HG22 ' HD3' ' A' ' 10' ' ' ARG . 14.9 t -74.79 -29.48 61.12 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 115.603 -0.726 . . . . 72.32 112.226 -173.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.8 p -77.27 -37.25 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 CA-C-N 118.665 0.666 . . . . 73.1 110.688 177.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 46.8 ttm -74.53 -26.17 59.81 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 109.421 -0.585 . . . . 75.45 109.421 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 . . . . . 0 CA--C 1.552 1.044 0 CA-C-N 115.268 -0.878 . . . . 63.45 110.597 168.208 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 112.123 0.416 . . . . 72.42 112.123 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -53.41 -45.44 69.35 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 124.844 1.258 . . . . 74.22 113.067 -171.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.5 m -58.14 -57.34 13.29 Favored 'General case' 0 C--O 1.25 1.091 0 C-N-CA 123.188 0.595 . . . . 73.51 111.584 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.582 HG12 HD11 ' A' ' 8' ' ' ILE . 61.5 mt -63.37 -47.36 92.28 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 CA-C-N 115.023 -0.989 . . . . 74.43 110.617 -178.262 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -56.49 -46.16 80.63 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.133 0.973 . . . . 71.52 111.574 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -66.54 -51.97 50.74 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.309 0.644 . . . . 74.45 111.026 -178.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 74.3 mtm -59.96 -47.35 86.17 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 123.599 0.562 . . . . 73.34 110.706 -178.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 37.0 t -66.95 -35.4 74.61 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.82 0 C-N-CA 124.088 0.955 . . . . 74.42 111.219 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.67 -34.21 77.77 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.748 0.419 . . . . 73.34 110.608 175.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.97 -46.87 90.35 Favored Glycine 0 C--N 1.351 1.385 0 CA-C-N 114.806 -1.088 . . . . 74.44 111.535 172.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -67.47 -34.43 77.16 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.431 0.692 . . . . 75.31 111.669 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 15.3 mt -68.7 -56.87 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 124.501 1.121 . . . . 64.33 110.137 -178.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -68.92 -27.21 65.56 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 119.41 -0.328 . . . . 71.51 111.357 -178.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -64.05 -59.39 4.52 Favored 'General case' 0 C--N 1.358 0.977 0 N-CA-C 109.439 -0.578 . . . . 72.41 109.439 172.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.513 ' OG1' HG22 ' A' ' 14' ' ' ILE . 12.5 t -65.6 -32.27 73.76 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 123.506 0.504 . . . . 73.34 111.7 -174.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 26.3 mt -69.52 -47.67 63.0 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.398 0.436 . . . . 75.11 110.755 177.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -59.41 -44.79 92.79 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-O 121.487 0.661 . . . . 53.01 110.708 178.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.416 ' N ' HD21 ' A' ' 74' ' ' ASN . 0.8 OUTLIER -75.19 -35.42 61.54 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 114.649 -1.16 . . . . 74.54 110.524 -173.778 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.61 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 31.9 tt0 -79.37 -24.42 42.66 Favored 'General case' 0 N--CA 1.482 1.141 0 O-C-N 123.752 0.657 . . . . 65.35 110.713 176.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -67.26 -47.48 70.61 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 108.714 -0.846 . . . . 75.52 108.714 174.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.8 mt -63.53 -39.06 93.44 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 114.4 -1.273 . . . . 75.25 110.751 174.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.61 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 13.9 mt -57.73 -63.43 1.25 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.353 0.661 . . . . 74.43 110.886 174.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.3 pptp? -66.09 -28.97 69.23 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 123.415 0.447 . . . . 74.14 111.494 -171.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.28 -51.19 34.0 Favored Glycine 0 C--N 1.351 1.381 0 O-C-N 123.714 0.634 . . . . 75.32 112.141 175.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.493 HD22 ' HB1' ' A' ' 25' ' ' ALA . 8.5 tt -60.71 -45.85 92.64 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.094 0.958 . . . . 74.44 110.452 178.561 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.593 HD12 ' HE1' ' A' 1008 ' ' TRP . 53.5 mt -75.4 -36.4 60.87 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.352 1.061 . . . . 72.03 111.337 -171.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.1 tm0? -62.19 -51.26 68.54 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 108.372 -0.973 . . . . 73.13 108.372 172.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -55.92 -41.78 75.11 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 124.214 0.946 . . . . 74.03 111.364 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -65.12 -51.93 58.37 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.996 0.918 . . . . 75.51 109.828 -177.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.568 HD13 ' HB3' ' A' 1005 ' ' LEU . 92.4 mt -71.73 -26.28 62.41 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.161 0.584 . . . . 71.32 112.023 -177.632 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -70.82 -47.84 57.26 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.005 0.922 . . . . 71.51 108.62 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.79 -53.54 57.22 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-N 114.689 -1.141 . . . . 70.32 110.187 172.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 76.4 mt -53.34 -39.19 63.93 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 124.126 0.971 . . . . 74.21 112.035 178.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 73.9 m . . . . . 0 N--CA 1.477 0.889 0 N-CA-C 109.784 -0.45 . . . . 74.02 109.784 176.429 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 47.9 ttp . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 111.798 0.296 . . . . 75.1 111.798 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 41.3 p -66.19 -39.6 89.8 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 116.207 -0.452 . . . . 75.1 111.529 -177.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1003 ' ' THR . . . . . 0.5 ' O ' ' HG2' ' A' 1007 ' ' ARG . 95.9 m -60.42 -49.52 77.26 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.284 0.634 . . . . 73.34 109.888 179.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -54.56 -53.16 58.25 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.973 0.796 . . . . 74.03 110.477 176.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1005 ' ' LEU . . . . . 0.568 ' HB3' HD13 ' A' ' 86' ' ' LEU . 51.0 mt -72.33 -22.05 61.23 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 113.376 0.88 . . . . 74.25 113.376 -174.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 32.6 p -80.62 -40.97 24.74 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 119.045 0.839 . . . . 63.04 110.387 177.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1007 ' ' ARG . . . . . 0.5 ' HG2' ' O ' ' A' 1003 ' ' THR . 35.0 mmt180 -64.46 -36.74 85.16 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-O 121.621 0.724 . . . . 73.24 109.657 173.295 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1008 ' ' TRP . . . . . 0.593 ' HE1' HD12 ' A' ' 82' ' ' LEU . 20.4 t-105 -61.27 -52.77 63.34 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.176 -1.375 . . . . 73.34 110.432 174.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1009 ' ' LEU . . . . . . . . . . . . . 40.2 mt -64.65 -36.06 83.04 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.033 0.533 . . . . 71.34 112.341 -177.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 14.0 t -75.47 -27.88 59.02 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 117.66 0.209 . . . . 62.32 110.501 178.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -73.54 -32.99 64.49 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.846 0.458 . . . . 73.51 111.221 173.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1012 ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' 1008 ' ' TRP . 26.3 mt -68.3 -45.25 73.55 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 109.322 -0.622 . . . . 74.43 109.322 173.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 35.5 t70 -61.35 -37.43 83.3 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 114.623 -1.171 . . . . 72.21 110.401 178.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 8.7 t30 -63.02 -53.05 59.94 Favored 'General case' 0 C--N 1.349 0.554 0 O-C-N 124.33 1.019 . . . . 73.24 110.011 175.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 52.2 t80 -59.49 -60.67 3.47 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 123.705 0.628 . . . . 74.21 110.314 -178.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -44.53 -55.26 5.26 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.257 1.423 . . . . 74.02 112.646 176.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -64.37 -56.27 15.51 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.089 0.556 . . . . 74.32 112.323 -177.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1018 ' ' LYS . . . . . 0.508 ' HE2' ' HA ' ' A' 1018 ' ' LYS . 9.7 mmpt? -63.27 -39.63 95.13 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.266 0.626 . . . . 73.05 111.557 -175.266 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1019 ' ' MET . . . . . 0.545 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.0 OUTLIER -79.08 -22.66 44.94 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.056 -0.52 . . . . 72.4 110.68 -176.68 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -67.34 -36.7 81.97 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.52 0.328 . . . . 44.34 110.232 166.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 79.8 mt -77.41 -20.41 54.66 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 118.336 -0.84 . . . . 74.13 112.717 179.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1022 ' ' LEU . . . . . 0.545 ' HG ' ' HA ' ' A' 1019 ' ' MET . 47.4 mt . . . . . 0 N--CA 1.5 2.048 0 C-N-CA 123.413 0.685 . . . . 71.43 111.727 174.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.8 m . . . . . 0 N--CA 1.485 1.276 0 CA-C-O 120.72 0.295 . . . . 75.55 111.393 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p -62.11 -46.41 89.19 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.418 1.087 . . . . 75.44 111.643 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 78.2 m -56.24 -57.82 10.59 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 124.833 1.253 . . . . 74.21 111.176 178.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.5 t -58.16 -45.16 88.76 Favored 'Isoleucine or valine' 0 C--N 1.35 0.605 0 C-N-CA 123.576 0.75 . . . . 62.55 110.775 -178.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.0 -55.66 31.32 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 115.762 -0.654 . . . . 73.41 110.5 -176.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -59.84 -52.22 66.36 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 124.821 1.249 . . . . 73.44 111.493 -175.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.471 HG22 ' HE1' ' A' ' 67' ' ' TYR . 93.1 mt -61.46 -50.5 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 123.681 0.792 . . . . 75.23 111.176 -177.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.73 -32.73 73.56 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.158 0.583 . . . . 71.23 111.741 -173.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.441 ' O ' HG13 ' A' ' 14' ' ' ILE . 99.2 mtt180 -66.92 -52.86 38.02 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 109.857 -0.423 . . . . 74.3 109.857 174.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -59.67 -35.11 73.8 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 112.04 0.385 . . . . 72.44 112.04 177.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.425 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 47.2 tt0 -63.05 -50.38 70.85 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.968 0.907 . . . . 74.51 109.858 179.262 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.3 tpt180 -55.44 -45.94 76.78 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 124.607 1.192 . . . . 73.42 110.415 177.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 10' ' ' ARG . 80.7 mt -63.36 -37.68 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 123.942 0.897 . . . . 74.33 111.232 -178.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.33 -42.3 93.04 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.038 0.535 . . . . 74.13 110.858 177.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 81.2 mt -70.26 -34.04 72.33 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.561 0.744 . . . . 71.01 111.003 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.569 HD13 ' HA ' ' A' ' 40' ' ' TYR . 80.1 mt -66.1 -60.39 2.86 Favored 'General case' 0 C--O 1.206 -1.219 0 C-N-CA 123.673 0.789 . . . . 75.34 109.301 177.136 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.1 p -57.27 -34.9 69.11 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.943 0.897 . . . . 63.11 111.953 -178.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -62.73 -54.08 44.66 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.95 0.9 . . . . 70.13 111.406 175.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.53 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 73.2 p -63.82 -42.72 97.6 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.877 -0.601 . . . . 73.44 110.285 -178.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.468 HD13 ' HH2' ' A' 1008 ' ' TRP . 98.7 mt -63.43 -38.66 92.0 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.329 1.451 . . . . 75.05 110.967 179.138 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.454 HD21 ' HA ' ' A' ' 74' ' ' ASN . 48.4 tp -61.8 -47.52 84.76 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 123.631 0.582 . . . . 75.33 109.54 176.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.477 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 38.5 tt0 -59.14 -40.97 87.12 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 124.46 1.1 . . . . 75.25 110.467 178.212 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 20' ' ' SER . 91.3 mt -58.7 -49.36 77.85 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.227 0.611 . . . . 74.12 110.165 178.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.529 ' HB3' HD22 ' A' ' 81' ' ' LEU . . . -63.6 -35.85 81.87 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.439 0.695 . . . . 72.51 111.992 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -71.56 -28.17 63.67 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 123.59 0.756 . . . . 74.22 111.203 177.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 29.7 mmt180 -91.62 -19.45 22.69 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 123.511 0.724 . . . . 73.02 111.631 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.32 17.21 51.07 Favored Glycine 0 N--CA 1.474 1.178 0 N-CA-C 113.597 0.199 . . . . 72.13 113.597 -176.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -84.77 92.62 8.27 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.029 0.932 . . . . 64.13 110.463 174.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 29.7 m95 -89.74 -23.03 21.9 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.045 0.938 . . . . 75.31 111.793 -177.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -71.18 -52.78 17.27 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-N 117.628 0.195 . . . . 73.31 110.868 -177.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 68.1 mt -66.01 -25.1 66.92 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.032 0.133 . . . . 74.25 110.912 176.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.458 HD13 HD22 ' A' ' 21' ' ' LEU . 17.1 tp -65.55 -46.25 80.25 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 123.714 0.634 . . . . 73.45 109.926 175.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.3 mt -74.38 -25.41 59.47 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.951 0.9 . . . . 74.35 112.026 178.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -78.56 -40.95 33.34 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 121.551 0.691 . . . . 75.45 110.167 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -87.58 -10.09 52.52 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.511 1.124 . . . . 70.52 111.815 176.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -45.39 -60.24 2.26 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 124.207 1.003 . . . . 73.42 111.067 171.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.4 m -65.74 -29.08 45.85 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-N 114.633 -1.167 . . . . 75.41 112.083 -175.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.0 m -68.79 -44.84 72.77 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.384 0.674 . . . . 74.2 110.487 177.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.569 ' HA ' HD13 ' A' ' 17' ' ' LEU . 54.2 t80 -65.75 -47.41 75.35 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.189 0.996 . . . . 75.43 110.588 -178.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 76.7 mt -68.94 -34.47 75.41 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 123.924 0.765 . . . . 74.1 110.902 -177.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -62.91 -45.21 93.56 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 122.912 0.485 . . . . 72.14 110.776 174.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 42.1 m -64.52 -37.0 86.02 Favored 'General case' 0 CA--C 1.551 1.015 0 CA-C-N 115.615 -0.72 . . . . 74.53 111.306 179.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.0 mt -57.2 -50.85 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.521 1.128 . . . . 75.34 110.578 173.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 45.6 mt-10 -57.78 -56.1 26.32 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-N 114.658 -1.156 . . . . 74.14 110.545 -179.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.0 t -66.72 -33.14 74.98 Favored 'General case' 0 CA--C 1.55 0.943 0 O-C-N 123.415 0.447 . . . . 75.24 111.913 -172.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.7 p -74.4 -33.61 33.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 O-C-N 121.955 -0.465 . . . . 74.1 110.76 178.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 45.5 ttm -76.2 -22.04 55.75 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 116.043 -0.526 . . . . 74.01 110.116 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 23.6 mm-40 . . . . . 0 N--CA 1.474 0.75 0 C-N-CA 123.28 0.632 . . . . 73.35 110.392 170.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.472 0.651 0 N-CA-C 112.046 0.387 . . . . 63.44 112.046 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.602 HH21 ' HB3' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -52.66 -40.06 62.47 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.512 1.125 . . . . 75.32 111.637 -173.055 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 59.5 p -59.95 -57.29 13.49 Favored 'General case' 0 C--O 1.25 1.083 0 C-N-CA 123.434 0.694 . . . . 70.12 111.657 -178.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.1 mt -61.09 -54.07 40.45 Favored 'Isoleucine or valine' 0 C--N 1.359 1.004 0 C-N-CA 123.392 0.677 . . . . 74.44 109.278 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -52.16 -40.84 61.98 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.758 1.223 . . . . 61.43 112.291 -177.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.602 ' HB3' HH21 ' A' ' 58' ' ' ARG . 34.2 t70 -77.87 -38.74 45.29 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.381 0.672 . . . . 74.54 111.633 -175.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 63.4 mtm -65.94 -45.58 81.3 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 109.835 -0.432 . . . . 73.11 109.835 175.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.8 t -61.86 -41.49 90.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 124.68 1.192 . . . . 65.44 110.745 175.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.95 -31.98 73.48 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 122.96 0.504 . . . . 73.01 109.944 176.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.04 -45.66 95.1 Favored Glycine 0 C--N 1.35 1.355 0 N-CA-C 111.472 -0.651 . . . . 72.22 111.472 173.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.471 ' HE1' HG22 ' A' ' 8' ' ' ILE . 16.0 m-85 -69.2 -32.34 71.54 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.206 0.602 . . . . 74.23 111.471 178.336 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.0 mt -69.74 -46.69 73.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.396 1.079 . . . . 75.24 110.286 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -71.84 -31.88 66.95 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.541 -0.299 . . . . 72.14 110.615 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -56.87 -59.41 5.08 Favored 'General case' 0 C--N 1.358 0.951 0 O-C-N 123.78 0.675 . . . . 71.21 109.408 169.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.4 t -69.81 -34.87 74.28 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 115.947 -0.569 . . . . 70.11 111.965 -169.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 53.3 mt -72.55 -36.89 68.36 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 122.957 0.503 . . . . 71.41 111.67 178.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -72.73 -45.54 58.19 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-O 121.058 0.456 . . . . 75.43 109.957 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.454 ' HA ' HD21 ' A' ' 22' ' ' LEU . 11.5 m120 -66.86 -36.41 82.25 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.367 -0.833 . . . . 54.32 110.92 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.438 ' HG2' ' HD2' ' A' ' 79' ' ' LYS . 39.4 tt0 -70.72 -37.78 73.55 Favored 'General case' 0 C--O 1.209 -1.043 0 O-C-N 123.752 0.658 . . . . 64.13 110.295 175.475 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -64.03 -42.04 97.22 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 121.234 0.54 . . . . 74.02 110.233 -179.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.5 mt -68.52 -36.57 79.05 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.1 -0.955 . . . . 65.54 110.956 174.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.9 mt -59.07 -64.06 1.08 Allowed 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.498 0.719 . . . . 72.12 110.818 174.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.438 ' HD2' ' HG2' ' A' ' 75' ' ' GLU . 10.9 ptmt -65.71 -29.06 69.54 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.34 1.056 . . . . 75.45 111.187 -172.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.85 -62.77 5.38 Favored Glycine 0 C--N 1.352 1.444 0 O-C-N 124.085 0.866 . . . . 64.34 111.799 169.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.529 HD22 ' HB3' ' A' ' 25' ' ' ALA . 9.1 tt -56.76 -42.15 78.85 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.766 0.826 . . . . 73.24 110.885 -178.012 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 40.3 mt -71.2 -44.58 65.13 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 114.852 -1.067 . . . . 73.22 111.351 -173.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.412 ' HG3' ' N ' ' A' ' 84' ' ' GLN . 4.0 pt20 -67.8 -39.31 84.02 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 109.606 -0.516 . . . . 64.51 109.606 179.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.412 ' N ' ' HG3' ' A' ' 83' ' ' GLN . 20.2 mm-40 -59.1 -45.22 91.44 Favored 'General case' 0 C--N 1.361 1.106 0 O-C-N 123.88 0.737 . . . . 75.53 110.446 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.419 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 50.4 ttt-85 -72.24 -35.83 68.92 Favored 'General case' 0 C--O 1.212 -0.91 0 CA-C-N 115.09 -0.959 . . . . 75.33 110.269 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.439 HD11 ' HB3' ' A' 1005 ' ' LEU . 75.6 mt -69.41 -25.31 64.08 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-O 119.199 -0.429 . . . . 74.14 110.438 176.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -68.45 -44.23 75.35 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.587 0.755 . . . . 73.15 109.01 173.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -59.22 -60.75 3.36 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 115.08 -0.964 . . . . 74.41 110.06 175.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 86.0 mt -56.35 -40.5 74.6 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.196 1.398 . . . . 74.43 111.839 -176.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 93.4 p . . . . . 0 CA--C 1.545 0.776 0 C-N-CA 122.521 0.328 . . . . 74.52 110.86 179.634 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 48.7 ttp . . . . . 0 N--CA 1.477 0.909 0 CA-C-O 120.426 0.155 . . . . 73.41 111.276 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 62.9 p -66.16 -54.06 29.93 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 116.274 -0.421 . . . . 65.22 111.42 -174.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 66.6 p -61.46 -43.55 98.67 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.019 0.528 . . . . 71.33 111.821 -173.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -70.5 -44.05 68.43 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 123.362 0.414 . . . . 72.52 111.053 -178.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1005 ' ' LEU . . . . . 0.521 ' O ' ' HG ' ' A' 1009 ' ' LEU . 40.3 mt -66.07 -39.17 89.86 Favored 'General case' 0 C--N 1.357 0.923 0 O-C-N 123.264 0.352 . . . . 75.3 111.675 178.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 66.5 p -69.27 -38.56 78.46 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 118.14 0.427 . . . . 74.44 110.86 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -65.87 -35.2 79.98 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.398 0.679 . . . . 74.51 110.392 173.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1008 ' ' TRP . . . . . 0.529 ' O ' ' HG ' ' A' 1012 ' ' LEU . 0.3 OUTLIER -65.58 -41.34 92.98 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 114.916 -1.038 . . . . 72.24 109.658 175.877 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 1009 ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' 1005 ' ' LEU . 88.6 mt -71.65 -30.82 66.16 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.145 0.578 . . . . 74.05 109.571 -178.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 64.9 m -64.85 -44.81 88.57 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.44 1.096 . . . . 53.4 110.167 173.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -71.48 -29.13 64.48 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.54 0.736 . . . . 60.32 111.468 179.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1012 ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' 1008 ' ' TRP . 22.7 mt -70.04 -44.13 69.85 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 109.268 -0.641 . . . . 63.32 109.268 176.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 31.0 t70 -62.27 -40.12 95.18 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.067 0.947 . . . . 74.11 110.492 178.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -62.37 -51.11 68.88 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 115.267 -0.879 . . . . 50.4 110.724 177.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 46.1 t80 -57.4 -60.44 3.63 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 123.973 0.795 . . . . 73.45 110.075 178.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -41.87 -54.88 3.27 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.637 1.575 . . . . 70.3 111.983 177.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -60.76 -60.0 4.5 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 124.075 0.859 . . . . 64.5 112.468 -178.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1018 ' ' LYS . . . . . 0.409 ' HZ3' ' HB3' ' A' 1018 ' ' LYS . 2.5 mmmp? -70.67 -30.58 67.22 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.283 0.633 . . . . 75.04 111.867 -170.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1019 ' ' MET . . . . . 0.511 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.0 OUTLIER -80.71 -28.22 36.72 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 116.229 -0.441 . . . . 73.24 110.025 -179.111 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -67.27 -37.13 82.96 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 109.359 -0.608 . . . . 73.41 109.359 168.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 91.7 mt -71.8 -23.28 61.53 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 118.43 -0.795 . . . . 75.54 112.315 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1022 ' ' LEU . . . . . 0.511 ' HG ' ' HA ' ' A' 1019 ' ' MET . 62.2 mt . . . . . 0 N--CA 1.494 1.752 0 O-C-N 123.727 0.642 . . . . 74.21 110.835 171.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.1 p . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.432 0.158 . . . . 75.14 111.264 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.2 t -59.37 -46.97 87.18 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.369 0.668 . . . . 75.41 110.553 174.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.3 m -57.74 -54.33 48.05 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.382 1.073 . . . . 70.43 111.891 178.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 84.8 t -59.09 -57.01 13.25 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 O-C-N 123.943 0.777 . . . . 74.13 109.842 -176.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -57.6 -45.03 85.82 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 123.801 0.688 . . . . 74.32 111.196 -178.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -60.26 -55.28 35.62 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.425 0.69 . . . . 74.02 111.157 -175.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.646 HD11 HG12 ' A' ' 60' ' ' ILE . 74.5 mt -64.16 -42.29 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 123.448 0.699 . . . . 74.32 111.088 -178.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.15 -37.2 83.37 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.047 0.539 . . . . 74.35 110.853 -177.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.551 ' HD3' HG23 ' A' ' 46' ' ' THR . 91.3 mtt180 -71.68 -47.76 51.97 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.704 0.402 . . . . 75.31 110.012 -179.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -57.93 -38.66 76.33 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 123.146 0.279 . . . . 73.24 111.121 174.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.46 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 57.8 tt0 -58.48 -57.73 11.64 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 123.795 0.685 . . . . 74.31 109.977 177.37 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.445 ' HG2' ' HA ' ' A' ' 10' ' ' ARG . 12.1 ptm180 -66.22 -25.92 67.14 Favored 'General case' 0 C--O 1.212 -0.879 0 O-C-N 123.644 0.59 . . . . 75.5 111.79 -175.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 10' ' ' ARG . 88.3 mt -70.15 -41.82 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 C-N-CA 123.176 0.59 . . . . 75.52 110.13 176.003 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.5 -41.26 89.13 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.65 0.38 . . . . 42.24 110.647 176.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.504 ' HA ' HE21 ' A' ' 19' ' ' GLN . 82.6 mt -66.51 -42.58 87.11 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.517 0.727 . . . . 75.43 110.393 179.301 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.5 mt -67.05 -46.43 74.42 Favored 'General case' 0 C--O 1.207 -1.172 0 C-N-CA 123.076 0.551 . . . . 61.11 110.061 178.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.1 p -64.14 -38.96 92.96 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 117.867 0.303 . . . . 75.11 111.447 -176.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.504 HE21 ' HA ' ' A' ' 16' ' ' LEU . 25.7 pt20 -76.48 -35.62 58.29 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 123.077 0.236 . . . . 71.53 111.463 -179.241 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 86.5 p -69.82 -50.95 37.89 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 109.695 -0.483 . . . . 74.41 109.695 178.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.462 HD12 ' HH2' ' A' 1008 ' ' TRP . 91.3 mt -57.89 -34.29 69.64 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.745 1.218 . . . . 74.42 111.303 174.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 36.6 tp -63.09 -50.36 70.84 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 110.131 -0.322 . . . . 75.23 110.131 175.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -65.77 -24.8 67.02 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 123.694 0.621 . . . . 74.05 111.319 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.448 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 97.0 mt -77.07 -33.36 57.13 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.581 0.752 . . . . 71.21 110.468 173.164 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.53 ' HB2' HD23 ' A' ' 81' ' ' LEU . . . -71.39 -31.0 66.79 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.111 0.564 . . . . 75.33 109.902 176.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -73.42 -36.91 66.04 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.984 0.914 . . . . 74.11 109.923 172.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.457 ' HB3' ' HG2' ' A' ' 29' ' ' GLU . 9.7 tpp180 -77.44 -17.36 58.16 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.825 0.85 . . . . 75.55 111.768 -178.575 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.09 18.08 65.75 Favored Glycine 0 C--N 1.348 1.198 0 CA-C-N 116.614 -0.267 . . . . 74.22 113.698 -178.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.457 ' HG2' ' HB3' ' A' ' 27' ' ' ARG . 28.5 mm-40 -79.85 69.49 6.21 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.086 0.954 . . . . 74.45 111.335 178.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 31.9 m95 -64.81 -32.07 73.59 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.71 0.804 . . . . 65.31 110.417 -177.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -63.11 -49.28 75.07 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.244 1.017 . . . . 74.43 110.859 177.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.4 mt -67.37 -30.39 70.17 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.022 0.529 . . . . 62.34 111.292 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 81.9 mt -64.71 -49.69 69.88 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 122.778 0.431 . . . . 73.52 110.498 174.108 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.558 HD22 ' HG ' ' A' 1005 ' ' LEU . 85.7 mt -73.3 -22.04 60.44 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.235 0.614 . . . . 71.53 112.385 -176.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -77.31 -50.83 11.98 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.281 0.562 . . . . 62.22 109.841 176.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.434 ' HB2' HD23 ' A' ' 21' ' ' LEU . 48.5 mt-30 -76.17 -9.77 58.89 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.441 1.096 . . . . 75.41 112.145 177.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -42.14 -60.62 1.39 Allowed 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.756 1.222 . . . . 73.43 112.025 176.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.1 p -59.4 -34.69 55.13 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 123.483 0.713 . . . . 65.22 111.574 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.9 m -73.07 -42.02 63.48 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.686 0.795 . . . . 73.43 112.129 -174.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -72.25 -42.19 65.92 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.245 0.618 . . . . 74.15 110.205 179.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.4 mt -67.73 -30.41 69.89 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 116.092 -0.504 . . . . 74.3 110.499 176.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -67.13 -46.29 74.56 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.522 0.729 . . . . 72.3 110.475 176.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.4 p -65.07 -38.75 91.8 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 116.364 -0.38 . . . . 74.31 110.887 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.6 mt -57.63 -58.53 5.79 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 124.201 1.0 . . . . 63.34 110.947 175.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.96 -37.47 87.55 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 115.707 -0.678 . . . . 65.22 110.837 -174.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.551 HG23 ' HD3' ' A' ' 10' ' ' ARG . 6.2 t -76.33 -30.53 57.71 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-O 119.283 -0.389 . . . . 64.03 111.767 -175.15 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.1 p -75.82 -29.43 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 CA-C-N 118.446 0.566 . . . . 73.54 110.081 175.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 39.0 ttm -78.11 -23.65 47.81 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 115.728 -0.669 . . . . 73.22 110.634 177.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 . . . . . 0 N--CA 1.484 1.238 0 C-N-CA 123.405 0.682 . . . . 74.4 110.601 168.321 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 111.734 0.272 . . . . 75.52 111.734 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 44.8 mtm105 -54.1 -45.71 71.9 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.89 0.876 . . . . 75.2 112.125 -175.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.2 m -58.8 -54.91 41.8 Favored 'General case' 0 C--O 1.243 0.715 0 O-C-N 123.951 0.782 . . . . 73.51 111.352 -174.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.646 HG12 HD11 ' A' ' 8' ' ' ILE . 64.4 mt -61.25 -55.15 26.47 Favored 'Isoleucine or valine' 0 C--N 1.353 0.721 0 O-C-N 123.747 0.655 . . . . 73.2 109.746 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -55.01 -35.78 64.75 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.981 0.913 . . . . 73.31 111.741 -176.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -72.33 -58.26 3.54 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.208 0.603 . . . . 72.34 110.208 -179.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 75.1 mtm -56.43 -47.78 78.38 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 124.069 0.855 . . . . 74.2 110.376 -177.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.5 t -59.06 -48.06 87.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-N 114.57 -1.195 . . . . 75.25 111.435 176.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.12 -27.8 69.19 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 122.784 0.433 . . . . 74.52 111.701 178.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.07 -51.84 26.34 Favored Glycine 0 C--N 1.346 1.126 0 N-CA-C 111.156 -0.778 . . . . 73.24 111.156 174.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -61.72 -33.02 73.28 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.702 0.801 . . . . 74.42 111.126 177.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 14.2 mt -63.17 -57.73 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.013 1.325 . . . . 73.35 109.781 177.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -57.7 -46.14 84.75 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 123.94 0.775 . . . . 64.43 110.001 -177.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -55.94 -56.88 15.37 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 124.185 0.928 . . . . 62.3 110.889 178.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.3 t -67.11 -26.18 66.57 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 111.924 0.342 . . . . 74.15 111.924 -172.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.64 HD11 ' SD ' ' A' 1019 ' ' MET . 81.6 mt -76.16 -34.19 59.37 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.1 0.56 . . . . 71.31 111.553 176.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -72.87 -44.68 61.05 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-O 121.268 0.556 . . . . 73.51 110.222 175.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -71.06 -27.93 63.99 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.096 -0.956 . . . . 64.33 110.771 -179.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.477 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 37.7 tt0 -78.83 -36.46 42.52 Favored 'General case' 0 C--O 1.21 -1.026 0 C-N-CA 122.693 0.397 . . . . 74.42 110.157 174.32 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -57.38 -43.05 83.28 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-O 121.383 0.611 . . . . 75.34 109.422 173.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.3 mt -72.48 -36.61 68.49 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 114.652 -1.158 . . . . 75.42 111.844 176.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.477 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 6.1 mt -68.78 -65.23 0.73 Allowed 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 123.189 0.596 . . . . 73.01 110.196 177.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.51 ' HA ' HD23 ' A' 1009 ' ' LEU . 36.1 ttpt -54.29 -36.68 63.94 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.996 1.718 . . . . 75.15 111.737 178.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.74 -50.9 38.86 Favored Glycine 0 C--N 1.348 1.223 0 O-C-N 123.673 0.608 . . . . 75.4 113.452 175.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.53 HD23 ' HB2' ' A' ' 25' ' ' ALA . 10.0 tt -61.97 -52.56 63.51 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.872 0.869 . . . . 74.3 109.96 -178.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 41.7 mt -62.04 -39.18 91.49 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 114.401 -1.272 . . . . 74.21 111.952 -178.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -64.74 -47.11 79.44 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 110.083 -0.34 . . . . 55.1 110.083 176.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -62.52 -36.21 81.86 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.839 0.712 . . . . 75.21 110.999 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.436 ' NH1' HD11 ' A' ' 89' ' ' LEU . 3.9 tmt_? -76.81 -31.77 57.17 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 115.24 -0.891 . . . . 74.51 109.384 -177.275 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.579 HD13 ' HB3' ' A' 1005 ' ' LEU . 86.3 mt -75.84 -30.13 58.84 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.235 0.614 . . . . 75.53 110.628 173.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -60.79 -46.46 90.41 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 108.014 -1.106 . . . . 74.12 108.014 173.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -60.84 -60.56 3.59 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 114.05 -1.432 . . . . 75.3 110.469 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.459 HD13 HD23 ' A' ' 86' ' ' LEU . 91.9 mt -49.93 -53.28 27.19 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 123.997 0.919 . . . . 73.42 111.769 -178.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.1 m . . . . . 0 CA--C 1.547 0.862 0 CA-C-N 115.423 -0.808 . . . . 73.3 111.643 -175.829 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 37.6 ttp . . . . . 0 N--CA 1.484 1.252 0 N-CA-C 111.9 0.333 . . . . 73.21 111.9 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 30.7 p -65.89 -53.95 32.9 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 119.016 -0.516 . . . . 72.4 111.346 -178.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 98.0 m -57.26 -46.0 83.47 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-O 120.85 0.357 . . . . 70.03 111.415 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 73.1 mtt-85 -55.83 -63.5 1.16 Allowed 'General case' 0 C--N 1.345 0.406 0 CA-C-N 114.759 -1.109 . . . . 75.24 110.936 178.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1005 ' ' LEU . . . . . 0.579 ' HB3' HD13 ' A' ' 86' ' ' LEU . 36.8 mt -61.88 -41.79 98.29 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 123.991 0.807 . . . . 75.43 112.069 -174.15 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 44.2 p -61.25 -52.61 64.02 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 117.953 0.342 . . . . 74.11 110.986 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 28.2 ttt180 -66.47 -26.17 67.06 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.836 0.454 . . . . 73.34 110.983 178.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1008 ' ' TRP . . . . . 0.485 ' O ' ' HG ' ' A' 1012 ' ' LEU . 0.0 OUTLIER -71.49 -36.13 71.01 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.887 0.875 . . . . 70.41 109.545 175.898 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1009 ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' 1005 ' ' LEU . 84.6 mt -73.38 -31.46 63.93 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 109.123 -0.695 . . . . 70.3 109.123 179.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 96.4 m -65.58 -44.76 85.69 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 114.607 -1.179 . . . . 73.32 110.344 172.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -71.25 -28.91 64.5 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.638 0.775 . . . . 74.42 111.097 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1012 ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' 1008 ' ' TRP . 19.0 mt -70.33 -48.65 55.51 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 115.731 -0.668 . . . . 73.23 109.319 175.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 22.1 t70 -73.7 -22.32 59.96 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.92 -0.582 . . . . 75.24 110.938 -177.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -68.92 -43.96 74.09 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.387 -0.597 . . . . 74.14 109.387 170.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 50.4 t80 -56.35 -57.76 10.87 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 123.871 0.732 . . . . 75.32 109.525 173.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -43.7 -52.15 6.69 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.251 1.42 . . . . 61.04 112.207 176.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1017 ' ' ALA . . . . . 0.408 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -62.31 -61.67 2.29 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.631 0.773 . . . . 75.24 111.534 -178.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 18.5 mmmt -57.81 -40.85 80.94 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.065 1.346 . . . . 62.41 112.511 -177.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1019 ' ' MET . . . . . 0.64 ' SD ' HD11 ' A' ' 72' ' ' LEU . 1.3 ppp? -79.18 -30.32 43.41 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.846 -0.615 . . . . 70.33 109.653 -172.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -66.84 -31.31 71.84 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 123.127 0.267 . . . . 74.25 110.471 169.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1021 ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' 1017 ' ' ALA . 96.1 mt -70.56 -29.95 66.54 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-O 118.379 -0.819 . . . . 74.0 111.77 175.115 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1022 ' ' LEU . . . . . 0.553 ' HG ' ' HA ' ' A' 1019 ' ' MET . 94.5 mt . . . . . 0 N--CA 1.505 2.322 0 CA-C-N 118.211 0.459 . . . . 74.24 111.252 175.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ptt? . . . . . 0 N--CA 1.483 1.204 0 N-CA-C 110.623 -0.14 . . . . 71.44 110.623 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.5 p -55.77 -45.93 78.04 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 112.878 0.696 . . . . 75.54 112.878 -175.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m -67.52 -34.35 76.92 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 122.596 0.358 . . . . 75.44 111.596 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.9 m -62.08 -51.91 66.03 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.754 0.822 . . . . 73.01 110.333 175.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 79.0 t -60.34 -51.68 70.15 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 O-C-N 124.047 0.842 . . . . 61.34 110.048 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -57.33 -47.17 82.25 Favored 'General case' 0 C--O 1.214 -0.799 0 O-C-N 123.547 0.529 . . . . 75.51 111.324 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.438 ' HZ ' HG21 ' A' 1025 ' ' VAL . 22.4 t80 -59.16 -55.01 40.42 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 122.924 0.49 . . . . 73.1 110.859 -176.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 65.1 mt -68.29 -42.61 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 123.56 0.744 . . . . 74.54 111.392 -176.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.513 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 7.1 m-80 -64.97 -43.74 91.65 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.555 0.742 . . . . 71.43 110.867 -179.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.584 ' HD3' HG23 ' A' ' 46' ' ' THR . 94.2 mtt180 -66.49 -44.58 82.23 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 118.806 -0.616 . . . . 72.31 110.203 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 35.3 m95 -57.85 -38.21 75.28 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 123.362 0.414 . . . . 74.54 111.075 173.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.415 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 63.9 tt0 -64.83 -42.58 94.84 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 123.682 0.793 . . . . 74.43 109.922 177.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 66.8 mmt-85 -65.62 -42.74 91.19 Favored 'General case' 0 C--O 1.211 -0.924 0 O-C-N 123.433 0.458 . . . . 75.34 110.076 -179.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 10' ' ' ARG . 83.0 mt -64.25 -39.43 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 124.006 0.922 . . . . 74.25 110.458 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.14 -45.33 85.44 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.81 0.844 . . . . 75.12 110.861 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 90.2 mt -71.36 -36.45 71.48 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.649 0.78 . . . . 64.43 110.775 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.2 mt -65.95 -52.9 45.56 Favored 'General case' 0 C--O 1.212 -0.875 0 C-N-CA 123.444 0.698 . . . . 73.31 109.564 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.2 p -62.8 -36.33 82.77 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 123.803 0.689 . . . . 75.52 110.955 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -61.96 -49.91 74.24 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 123.751 0.657 . . . . 73.12 110.517 174.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.4 m -60.4 -47.96 83.83 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 123.825 0.703 . . . . 65.04 110.813 179.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.529 HD13 ' HH2' ' A' 1008 ' ' TRP . 79.4 mt -65.58 -32.5 74.12 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.463 1.105 . . . . 73.41 110.518 -177.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.49 HD22 ' HA ' ' A' ' 74' ' ' ASN . 34.3 tp -64.26 -51.66 62.5 Favored 'General case' 0 C--N 1.352 0.675 0 O-C-N 123.78 0.675 . . . . 73.5 109.844 175.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.532 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 37.4 mm-40 -57.44 -47.77 80.92 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 124.203 0.939 . . . . 72.05 110.427 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.439 HD11 ' HB2' ' A' ' 32' ' ' LEU . 43.2 mt -59.59 -41.5 90.42 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 115.285 -0.87 . . . . 70.25 111.316 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.84 81.7 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.935 0.494 . . . . 64.51 111.005 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -72.16 -27.22 62.45 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.557 0.743 . . . . 60.2 110.917 176.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.532 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 7.4 mmm180 -94.94 -10.02 32.34 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 122.86 0.464 . . . . 74.51 112.032 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.78 11.63 67.81 Favored Glycine 0 C--N 1.345 1.059 0 N-CA-C 114.269 0.468 . . . . 64.2 114.269 178.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -84.37 80.55 9.17 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.614 0.766 . . . . 71.41 110.227 178.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 29.3 m95 -77.21 -19.26 56.93 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 123.729 0.811 . . . . 73.15 111.578 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -59.28 -50.75 72.81 Favored 'General case' 0 C--O 1.245 0.821 0 C-N-CA 125.198 1.399 . . . . 74.33 111.495 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.439 ' HB2' HD11 ' A' ' 24' ' ' LEU . 93.5 mt -74.27 -19.13 60.6 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.212 -0.904 . . . . 74.13 111.282 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.466 ' HA ' HD22 ' A' ' 21' ' ' LEU . 9.9 mp -66.54 -49.29 66.96 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 109.307 -0.627 . . . . 75.52 109.307 169.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.3 -34.61 78.07 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 124.063 0.852 . . . . 65.42 111.676 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -74.13 -56.16 5.24 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.126 0.571 . . . . 70.1 110.979 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.493 ' HB2' HD23 ' A' ' 21' ' ' LEU . 16.5 mt-30 -77.56 -8.3 57.61 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.369 1.068 . . . . 70.35 112.253 -176.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -43.61 -61.16 1.48 Allowed 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.927 1.291 . . . . 71.03 112.288 172.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.5 p -61.83 -33.42 57.77 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 O-C-N 123.935 0.772 . . . . 72.43 110.937 -177.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.5 m -64.18 -46.58 83.38 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.726 0.81 . . . . 75.53 110.885 177.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -68.85 -48.35 63.68 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 114.835 -1.075 . . . . 75.11 110.574 -174.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 80.7 mt -66.67 -38.08 86.09 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 124.14 0.9 . . . . 72.31 110.558 -178.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -58.91 -51.74 68.75 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 123.196 0.599 . . . . 73.13 110.644 174.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.2 m -59.23 -41.32 88.4 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.697 0.799 . . . . 73.33 111.385 -178.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.423 ' O ' HG11 ' A' ' 47' ' ' VAL . 19.8 mt -54.56 -56.53 9.79 Favored 'Isoleucine or valine' 0 C--O 1.252 1.19 0 C-N-CA 124.774 1.23 . . . . 75.12 111.116 174.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 50.6 mt-10 -64.34 -44.25 92.08 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 114.98 -1.009 . . . . 73.14 110.846 -174.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.584 HG23 ' HD3' ' A' ' 10' ' ' ARG . 11.3 t -72.43 -30.79 64.92 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 123.404 0.44 . . . . 73.41 111.964 -173.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.423 HG11 ' O ' ' A' ' 44' ' ' ILE . 5.9 p -73.75 -33.69 38.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 N-CA-C 109.587 -0.523 . . . . 74.12 109.587 174.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.542 ' SD ' ' NZ ' ' A' 1018 ' ' LYS . 41.7 ttm -72.44 -23.73 61.11 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 115.993 -0.549 . . . . 70.13 110.61 179.024 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 9.8 mm-40 -69.02 -24.23 64.18 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.891 0.476 . . . . 63.23 111.047 170.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -83.93 72.42 10.43 Favored 'General case' 0 C--N 1.347 0.467 0 N-CA-C 109.404 -0.591 . . . . 74.42 109.404 175.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -72.24 104.43 3.68 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 108.917 -0.771 . . . . 65.04 108.917 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.7 p -78.27 147.42 72.55 Favored Pre-proline 0 N--CA 1.475 0.791 0 C-N-CA 123.364 0.666 . . . . 73.11 110.652 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -58.71 156.55 31.84 Favored 'Trans proline' 0 C--N 1.378 2.083 0 C-N-CA 123.049 2.499 . . . . 71.14 113.264 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -51.26 -46.36 31.74 Favored 'Trans proline' 0 C--N 1.383 2.36 0 C-N-CA 123.561 2.841 . . . . 74.33 112.259 176.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -83.69 64.07 4.35 Favored Glycine 0 C--N 1.346 1.105 0 O-C-N 123.824 0.703 . . . . 73.05 112.532 176.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.4 tp -67.44 149.5 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 N-CA-C 109.273 -0.639 . . . . 71.21 109.273 172.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 80.7 p -84.83 159.18 20.46 Favored 'General case' 0 C--O 1.246 0.885 0 C-N-CA 123.154 0.582 . . . . 73.05 111.002 -176.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -51.94 -68.73 0.15 Allowed 'General case' 0 C--N 1.357 0.913 0 C-N-CA 124.837 1.255 . . . . 72.32 112.913 -172.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.2 m -55.9 -44.69 78.46 Favored 'General case' 0 C--O 1.249 1.071 0 O-C-N 124.342 1.026 . . . . 64.4 112.498 -172.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 62.9 mt -58.78 -53.6 45.2 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 O-C-N 124.163 0.915 . . . . 72.25 109.824 178.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -62.63 -36.61 83.36 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 123.85 0.719 . . . . 75.44 111.371 -176.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -65.68 -50.04 66.37 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 122.724 0.41 . . . . 73.33 111.351 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 75.7 mtm -64.14 -46.16 85.31 Favored 'General case' 0 N--CA 1.485 1.319 0 O-C-N 123.612 0.57 . . . . 74.24 110.713 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.1 t -58.97 -47.7 88.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 124.542 1.137 . . . . 72.44 111.08 178.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.72 -32.88 74.76 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.601 0.76 . . . . 75.11 110.851 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.429 ' O ' ' HG3' ' A' ' 70' ' ' GLN . . . -62.24 -48.01 85.65 Favored Glycine 0 C--N 1.353 1.502 0 O-C-N 123.783 0.677 . . . . 42.12 111.455 172.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -66.29 -29.13 69.29 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.359 0.664 . . . . 74.24 111.633 178.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.4 mt -70.27 -41.61 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 124.009 0.924 . . . . 75.01 109.914 176.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -60.56 -45.24 94.64 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.507 0.323 . . . . 75.42 110.249 174.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 66' ' ' GLY . 74.9 mt-30 -56.48 -59.07 5.52 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 124.655 1.222 . . . . 63.34 110.302 178.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.6 t -68.92 -37.87 79.2 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 112.405 0.52 . . . . 74.15 112.405 -171.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.9 mt -70.81 -34.72 72.02 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 118.081 0.4 . . . . 75.41 111.349 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -72.02 -46.05 58.55 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 122.529 0.332 . . . . 75.54 110.512 176.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.49 ' HA ' HD22 ' A' ' 22' ' ' LEU . 94.2 m-20 -61.9 -44.79 96.08 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.425 0.69 . . . . 63.03 110.536 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.47 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 37.0 tt0 -74.28 -28.15 61.06 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 124.144 0.902 . . . . 74.3 111.068 -178.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -61.54 -51.25 69.37 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-O 121.382 0.61 . . . . 65.32 109.787 172.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.92 -41.27 97.7 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 114.421 -1.263 . . . . 74.45 110.435 178.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.47 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 30.6 mt -57.58 -45.19 85.51 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.971 0.908 . . . . 73.44 111.465 172.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -62.43 -52.34 63.96 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.827 0.851 . . . . 74.14 110.221 -173.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.23 -41.94 91.39 Favored Glycine 0 C--N 1.349 1.268 0 O-C-N 123.899 0.749 . . . . 62.12 113.199 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.4 tt -60.95 -52.62 64.24 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.011 0.924 . . . . 73.4 110.232 -178.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.486 HD13 ' HE1' ' A' 1008 ' ' TRP . 24.3 mt -74.16 -24.84 59.46 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.16 0.984 . . . . 73.03 111.59 -175.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.1 -48.3 74.15 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 109.257 -0.646 . . . . 74.22 109.257 172.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -73.0 -28.38 62.34 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 115.809 -0.632 . . . . 73.51 111.453 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -72.11 -51.21 22.54 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 109.586 -0.524 . . . . 74.44 109.586 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.593 HD13 ' HB3' ' A' 1005 ' ' LEU . 84.4 mt -63.79 -30.47 71.56 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 123.532 0.52 . . . . 64.11 111.265 176.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -56.25 -57.45 12.19 Favored 'General case' 0 C--O 1.244 0.779 0 O-C-N 123.99 0.806 . . . . 74.34 109.641 171.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.483 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 55.3 mt-10 -60.35 -44.72 95.29 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.438 -0.801 . . . . 74.52 111.475 178.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 88.1 mt -60.73 -44.33 96.79 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.595 0.758 . . . . 63.45 111.36 -176.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 80.8 p -69.15 -30.8 69.12 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 122.661 0.384 . . . . 75.54 110.862 178.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.0 t -65.77 -33.56 76.15 Favored 'General case' 0 CA--C 1.555 1.173 0 O-C-N 123.507 0.504 . . . . 75.04 111.086 171.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 47.4 mt -73.38 -41.2 63.66 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.193 0.597 . . . . 64.1 110.168 177.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 95.4 mt -69.03 -37.02 76.52 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 C-N-CA 124.425 1.09 . . . . 72.03 111.022 -177.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -162.57 -79.58 0.03 OUTLIER Glycine 0 C--N 1.335 0.49 0 N-CA-C 110.822 -0.911 . . . . 74.31 110.822 177.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -162.77 133.36 4.7 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 108.522 -0.918 . . . . 72.21 108.522 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 12.7 p -87.83 160.47 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 N-CA-C 108.86 -0.792 . . . . 72.55 108.86 173.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -79.23 154.46 29.19 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 109.181 -0.674 . . . . 75.43 109.181 170.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -55.92 -31.71 63.13 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.606 0.762 . . . . 73.04 111.04 174.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -146.93 119.74 8.66 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.698 1.199 . . . . 72.41 108.311 174.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -163.86 67.07 0.22 Allowed Glycine 0 CA--C 1.529 0.915 0 N-CA-C 112.011 -0.436 . . . . 50.43 112.011 178.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -87.1 39.44 0.6 Allowed 'Trans proline' 0 C--N 1.379 2.138 0 C-N-CA 123.438 2.759 . . . . 70.13 112.406 -176.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 31.5 t -139.59 -177.55 5.0 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.353 0.661 . . . . 60.41 109.936 -173.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.23 83.27 5.3 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.625 0.77 . . . . 73.13 110.06 176.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -150.65 -18.95 0.07 OUTLIER Glycine 0 N--CA 1.47 0.912 0 CA-C-N 115.295 -0.866 . . . . 71.13 112.289 177.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 79.0 mt -70.69 114.83 9.18 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.419 0.688 . . . . 72.43 109.969 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 40.1 t 64.64 87.83 0.12 Allowed Pre-proline 0 CA--C 1.56 1.347 0 C-N-CA 125.152 1.381 . . . . 74.13 110.478 -175.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -69.37 -38.08 9.16 Favored 'Trans proline' 0 C--N 1.379 2.166 0 C-N-CA 123.254 2.636 . . . . 71.02 113.16 -176.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -138.06 90.6 2.5 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 108.343 -0.984 . . . . 73.53 108.343 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -68.6 -27.69 73.65 Favored Glycine 0 C--N 1.349 1.257 0 CA-C-N 115.48 -0.782 . . . . 54.35 113.428 -177.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.6 m 66.34 -73.2 0.07 Allowed 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.109 1.363 . . . . 72.02 112.027 178.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -76.77 -144.35 1.69 Allowed Glycine 0 C--N 1.353 1.52 0 N-CA-C 113.887 0.315 . . . . 64.3 113.887 -177.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.0 -28.98 74.21 Favored Glycine 0 C--N 1.347 1.15 0 N-CA-C 113.917 0.327 . . . . 54.31 113.917 -175.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 38.0 pt -68.44 -21.37 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 123.311 0.645 . . . . 75.03 112.171 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -54.4 -52.56 61.31 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.937 0.895 . . . . 64.44 110.725 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -64.67 -40.43 97.48 Favored Glycine 0 C--N 1.346 1.095 0 CA-C-N 114.667 -1.151 . . . . 45.24 112.455 -178.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 57.9 ttp -59.89 -51.05 71.38 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.645 0.778 . . . . 72.31 111.0 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 41.2 p -69.76 -51.59 32.7 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 115.801 -0.636 . . . . 72.35 110.923 -175.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 31.1 m -59.17 -43.11 92.12 Favored 'General case' 0 CA--C 1.55 0.956 0 O-C-N 123.595 0.559 . . . . 74.44 111.562 -178.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -60.32 -59.9 4.67 Favored 'General case' 0 C--N 1.358 0.948 0 O-C-N 123.628 0.58 . . . . 73.45 110.557 175.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1005 ' ' LEU . . . . . 0.593 ' HB3' HD13 ' A' ' 86' ' ' LEU . 43.2 mt -66.33 -24.78 66.58 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.282 0.845 . . . . 73.13 113.282 -173.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 41.4 p -76.32 -46.61 26.93 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 118.524 0.602 . . . . 72.13 110.027 175.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 45.6 ttm-85 -59.69 -34.75 73.28 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-O 121.611 0.72 . . . . 74.43 110.046 173.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1008 ' ' TRP . . . . . 0.529 ' HH2' HD13 ' A' ' 21' ' ' LEU . 5.9 t-105 -66.92 -53.24 33.91 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.169 1.388 . . . . 75.2 109.699 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1009 ' ' LEU . . . . . . . . . . . . . 62.9 mt -63.04 -36.42 83.51 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 122.966 0.507 . . . . 74.23 111.706 -178.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 9.6 t -76.16 -27.56 57.02 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 110.494 -0.188 . . . . 71.43 110.494 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -76.51 -27.47 56.02 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.098 0.559 . . . . 75.24 111.111 173.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1012 ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' 1008 ' ' TRP . 30.7 mt -69.88 -50.36 43.19 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 109.136 -0.69 . . . . 74.11 109.136 175.255 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 21.2 t70 -60.19 -36.91 78.7 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 114.741 -1.118 . . . . 73.03 110.566 177.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 7.7 t30 -62.59 -48.57 78.86 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 123.443 0.697 . . . . 72.13 110.813 175.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1015 ' ' PHE . . . . . 0.401 ' CD2' HG23 ' A' ' 44' ' ' ILE . 32.9 t80 -60.19 -56.84 16.7 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 123.658 0.599 . . . . 74.51 109.868 179.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -41.75 -57.82 2.2 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.912 1.685 . . . . 73.14 112.091 175.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -64.78 -55.27 20.76 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 115.149 -0.932 . . . . 74.3 111.705 -175.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1018 ' ' LYS . . . . . 0.542 ' NZ ' ' SD ' ' A' ' 48' ' ' MET . 65.1 tttm -67.71 -33.42 74.86 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.454 1.101 . . . . 73.42 111.555 -171.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1019 ' ' MET . . . . . 0.654 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.3 OUTLIER -80.86 -27.72 36.28 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.904 -0.589 . . . . 73.43 110.424 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -70.27 -26.78 63.98 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 110.148 -0.315 . . . . 74.22 110.148 167.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 95.8 mt -86.65 -11.72 50.51 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 118.401 -0.809 . . . . 75.32 112.455 177.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1022 ' ' LEU . . . . . 0.654 ' HG ' ' HA ' ' A' 1019 ' ' MET . 31.0 mt -44.06 110.03 0.93 Allowed Pre-proline 0 N--CA 1.498 1.947 0 C-N-CA 123.139 0.576 . . . . 73.44 111.573 169.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -75.76 -14.55 19.51 Favored 'Trans proline' 0 C--N 1.377 2.051 0 C-N-CA 122.252 1.968 . . . . 75.14 112.319 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -153.66 90.57 1.41 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.54 0.736 . . . . 75.34 110.467 -174.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1025 ' ' VAL . . . . . 0.438 HG21 ' HZ ' ' A' ' 7' ' ' PHE . 7.1 p . . . . . 0 CA--C 1.561 1.384 0 C-N-CA 124.897 1.279 . . . . 71.23 109.883 171.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.484 1.228 0 N-CA-C 111.159 0.059 . . . . 74.1 111.159 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.9 m -54.58 -68.87 0.15 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.083 0.953 . . . . 74.51 112.979 -170.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.9 m -73.43 -11.73 60.57 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 112.236 0.458 . . . . 75.33 112.236 -175.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 50.2 m -71.82 -57.01 4.71 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.588 0.755 . . . . 74.12 109.937 174.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.3 p -65.04 -32.35 57.9 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.989 0 C-N-CA 122.86 0.464 . . . . 73.0 109.902 178.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -56.88 -60.53 3.44 Favored 'General case' 0 C--N 1.365 1.261 0 N-CA-C 109.784 -0.45 . . . . 72.02 109.784 171.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -58.21 -52.58 64.98 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.284 1.033 . . . . 71.45 110.767 -171.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.607 HD13 HG12 ' A' ' 60' ' ' ILE . 69.9 mt -66.81 -46.28 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 123.905 0.882 . . . . 73.14 111.644 -175.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.79 -30.27 65.35 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-N 117.694 0.224 . . . . 75.5 111.493 -175.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.438 ' HD3' HG23 ' A' ' 46' ' ' THR . 94.5 mtt180 -72.22 -51.41 21.21 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 118.842 -0.599 . . . . 73.25 110.045 177.022 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 58.2 m95 -56.86 -37.6 71.54 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 123.605 0.565 . . . . 73.35 110.985 175.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -60.8 -51.7 68.2 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 123.943 0.777 . . . . 73.22 109.841 176.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -62.75 -36.47 83.15 Favored 'General case' 0 C--O 1.212 -0.877 0 O-C-N 124.305 1.003 . . . . 75.12 111.204 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.464 HG21 ' OG1' ' A' ' 71' ' ' THR . 89.9 mt -68.78 -39.22 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 123.658 0.783 . . . . 75.25 110.165 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.5 -42.33 87.51 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.55 0.74 . . . . 72.42 111.09 177.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.2 mt -71.05 -39.42 72.26 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.912 0.885 . . . . 74.55 110.893 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 40' ' ' TYR . 38.2 mt -64.0 -48.49 76.18 Favored 'General case' 0 C--O 1.211 -0.967 0 C-N-CA 123.216 0.606 . . . . 74.02 109.468 176.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.3 p -66.07 -37.93 87.03 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.573 0.546 . . . . 70.21 111.418 -174.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -71.33 -35.22 71.14 Favored 'General case' 0 N--CA 1.484 1.252 0 O-C-N 123.171 0.295 . . . . 74.31 110.835 177.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.415 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 67.5 m -61.56 -60.01 4.34 Favored 'General case' 0 C--N 1.356 0.884 0 N-CA-C 108.942 -0.762 . . . . 72.02 108.942 173.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.62 HD11 ' HH2' ' A' 1008 ' ' TRP . 35.5 mt -52.21 -36.76 53.01 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.701 1.6 . . . . 72.24 112.032 178.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.584 HD23 ' HA ' ' A' ' 74' ' ' ASN . 37.2 tp -64.19 -56.12 16.92 Favored 'General case' 0 C--O 1.246 0.872 0 C-N-CA 123.643 0.777 . . . . 73.4 110.72 179.101 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 38.8 tt0 -59.84 -40.92 90.17 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 124.329 1.018 . . . . 73.15 109.684 -179.093 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.504 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 96.2 mt -66.92 -35.39 79.88 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.407 1.083 . . . . 74.33 111.343 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.512 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -65.41 -42.88 92.08 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.979 0.512 . . . . 63.24 109.688 177.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -65.47 -33.65 76.44 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 115.075 -0.966 . . . . 75.34 111.451 174.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.421 ' HD2' HD21 ' A' ' 24' ' ' LEU . 92.5 mtt-85 -73.37 -25.98 60.81 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.265 0.626 . . . . 72.22 111.221 176.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.2 13.85 55.31 Favored Glycine 0 C--N 1.348 1.219 0 O-C-N 123.409 0.443 . . . . 63.34 113.487 -176.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.504 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 41.1 mm-40 -77.04 75.5 3.61 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.52 1.128 . . . . 73.01 110.836 178.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -72.98 -28.85 62.63 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.598 0.359 . . . . 75.3 110.926 -177.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -59.68 -49.41 77.83 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.351 0.661 . . . . 63.32 110.717 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 78.0 mt -63.65 -34.13 77.15 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.615 0.766 . . . . 75.53 111.89 177.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.0 mp -66.15 -37.62 86.12 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 119.409 -0.329 . . . . 74.31 111.772 173.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.65 -36.88 73.62 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.195 0.598 . . . . 72.02 111.048 177.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -71.13 -52.66 18.0 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.338 0.655 . . . . 75.52 110.222 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.485 ' HB2' HD22 ' A' ' 21' ' ' LEU . 13.9 mt-30 -79.42 -10.86 59.89 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.277 1.031 . . . . 74.2 111.704 -178.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.412 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 11.0 tt0 -44.11 -63.78 0.8 Allowed 'General case' 0 C--N 1.366 1.302 0 C-N-CA 123.428 0.691 . . . . 74.43 110.87 171.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.402 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 6.0 p -58.1 -42.65 83.58 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 O-C-N 124.319 1.012 . . . . 70.24 111.107 -176.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.7 m -60.38 -46.14 91.04 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.389 0.676 . . . . 72.21 111.312 -178.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.428 ' HA ' HD12 ' A' ' 17' ' ' LEU . 55.4 t80 -67.35 -45.07 77.41 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.234 1.014 . . . . 63.11 110.564 -176.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 57.3 mt -67.28 -40.1 86.09 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 123.981 0.801 . . . . 74.24 110.782 -177.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 85.1 mm-40 -67.31 -36.77 82.18 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.506 0.323 . . . . 74.31 110.616 178.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.8 m -61.82 -40.29 94.74 Favored 'General case' 0 CA--C 1.551 0.993 0 O-C-N 123.595 0.56 . . . . 62.54 110.875 173.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.0 mt -61.1 -47.46 93.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.278 1.031 . . . . 70.34 111.156 176.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.45 -54.47 46.43 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.631 0.772 . . . . 73.31 111.153 178.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.438 HG23 ' HD3' ' A' ' 10' ' ' ARG . 14.8 t -72.28 -24.02 61.28 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 112.603 0.594 . . . . 72.13 112.603 -173.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.6 p -79.99 -41.14 21.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 CA-C-N 118.293 0.497 . . . . 73.14 110.353 176.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.458 ' SD ' ' HG2' ' A' 1018 ' ' LYS . 53.9 ttm -78.53 -14.49 59.32 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.035 0.534 . . . . 73.43 109.867 -178.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -62.85 -32.01 73.15 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 124.256 1.023 . . . . 73.12 110.952 172.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.64 106.4 13.49 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.024 0.929 . . . . 72.31 109.742 176.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -92.99 139.03 30.95 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 109.59 -0.522 . . . . 75.34 109.59 170.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 31.0 p -90.21 137.13 27.96 Favored Pre-proline 0 CA--C 1.541 0.615 0 CA-C-O 118.873 -0.584 . . . . 72.45 109.691 173.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -61.6 158.58 36.21 Favored 'Trans proline' 0 CA--C 1.56 1.822 0 C-N-CA 123.041 2.494 . . . . 74.21 113.263 177.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -40.11 -46.68 4.06 Favored 'Trans proline' 0 C--N 1.383 2.358 0 C-N-CA 124.747 3.631 . . . . 65.21 115.225 174.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -80.68 53.44 4.54 Favored Glycine 0 C--N 1.346 1.119 0 CA-C-N 116.352 -0.386 . . . . 42.12 113.185 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.3 tp -85.27 135.55 24.65 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 C-N-CA 123.82 0.848 . . . . 75.32 108.934 175.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.9 t -62.17 149.14 42.38 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.432 0.693 . . . . 74.2 111.85 -176.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -58.34 -32.37 68.46 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.18 0.992 . . . . 74.32 112.717 -171.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.7 m -63.78 -56.71 13.49 Favored 'General case' 0 C--O 1.249 1.073 0 C-N-CA 123.093 0.557 . . . . 74.35 111.09 -178.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.607 HG12 HD13 ' A' ' 8' ' ' ILE . 66.3 mt -60.74 -49.99 82.28 Favored 'Isoleucine or valine' 0 C--N 1.357 0.91 0 CA-C-N 115.515 -0.766 . . . . 74.43 109.265 178.133 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -56.51 -40.04 74.35 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 124.212 0.945 . . . . 72.23 111.72 -178.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -67.29 -57.62 6.32 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.517 0.727 . . . . 72.53 111.199 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 69.7 mtm -61.67 -48.38 81.08 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 123.582 0.551 . . . . 70.44 110.516 -175.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 22.8 t -59.82 -43.92 92.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 124.37 1.068 . . . . 63.31 111.327 178.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.72 -34.09 77.09 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 117.922 0.328 . . . . 70.54 110.477 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.8 -46.6 93.79 Favored Glycine 0 C--N 1.348 1.214 0 N-CA-C 111.112 -0.795 . . . . 75.43 111.112 173.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -70.2 -31.57 69.08 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.16 0.984 . . . . 63.51 111.634 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.9 mt -69.57 -55.19 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.338 1.055 . . . . 73.34 109.901 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -63.67 -36.21 83.1 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 123.557 0.536 . . . . 72.5 110.212 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -62.42 -54.94 32.91 Favored 'General case' 0 C--N 1.357 0.91 0 O-C-N 123.846 0.716 . . . . 72.41 110.807 176.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.464 ' OG1' HG21 ' A' ' 14' ' ' ILE . 6.4 t -69.34 -36.42 76.89 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 123.45 0.469 . . . . 74.34 111.74 -172.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.462 HD22 ' HG2' ' A' 1016 ' ' GLU . 83.5 mt -70.93 -35.79 72.38 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.651 0.594 . . . . 74.43 111.159 177.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -65.11 -45.82 83.56 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-O 120.958 0.409 . . . . 74.33 110.133 174.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.584 ' HA ' HD23 ' A' ' 22' ' ' LEU . 86.1 m-20 -65.34 -40.02 93.1 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 115.282 -0.872 . . . . 71.4 110.71 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.572 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 36.1 tt0 -79.53 -21.32 45.37 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.951 0.9 . . . . 74.35 110.754 -178.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -69.17 -46.22 68.06 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 108.667 -0.864 . . . . 75.24 108.667 172.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.3 mt -69.65 -35.26 75.03 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 114.685 -1.143 . . . . 74.15 110.957 177.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.572 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 19.5 mt -62.15 -46.02 90.87 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.643 0.777 . . . . 74.25 110.441 171.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -62.03 -49.82 74.48 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.908 0.755 . . . . 71.33 109.903 -177.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.47 -49.22 75.87 Favored Glycine 0 C--N 1.351 1.385 0 O-C-N 123.967 0.792 . . . . 65.41 112.597 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.512 HD22 ' HB1' ' A' ' 25' ' ' ALA . 10.5 tt -62.86 -60.3 3.67 Favored 'General case' 0 C--O 1.215 -0.747 0 C-N-CA 123.489 0.716 . . . . 72.12 110.359 -178.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.592 HD11 ' HE1' ' A' 1008 ' ' TRP . 41.4 mt -64.26 -34.09 77.31 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.992 0.917 . . . . 73.25 112.905 -173.226 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.03 -46.72 70.4 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 108.746 -0.835 . . . . 72.43 108.746 175.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -61.33 -36.71 80.91 Favored 'General case' 0 C--N 1.357 0.904 0 O-C-N 123.883 0.739 . . . . 73.43 110.796 176.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -75.26 -44.19 47.26 Favored 'General case' 0 C--O 1.21 -1.015 0 C-N-CA 123.847 0.859 . . . . 74.22 110.821 -174.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.484 HD13 ' HB3' ' A' 1005 ' ' LEU . 98.5 mt -67.57 -38.57 84.27 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 117.919 0.327 . . . . 70.31 110.591 177.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -63.11 -45.66 90.96 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.762 0.825 . . . . 74.1 110.578 174.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.51 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 36.3 tt0 -63.21 -56.91 12.73 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.881 0.872 . . . . 74.24 109.874 -178.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 96.9 mt -54.57 -42.02 70.54 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.056 1.343 . . . . 75.12 111.733 178.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.691 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 94.5 p -68.6 -29.92 68.54 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 122.201 0.201 . . . . 75.41 110.617 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.5 ' HB3' HG22 ' A' ' 96' ' ' VAL . 53.1 m -80.27 -25.73 39.32 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 123.046 0.538 . . . . 61.43 111.942 174.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 79.0 mt -74.3 -44.85 50.92 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 121.568 0.699 . . . . 73.22 109.98 178.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 72.1 mt -81.61 -53.62 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 CA-C-N 114.437 -1.256 . . . . 74.1 109.517 -176.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -93.87 -169.88 38.39 Favored Glycine 0 C--N 1.343 0.92 0 CA-C-N 115.405 -0.816 . . . . 73.32 112.579 -178.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -86.51 122.98 31.2 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 123.813 0.845 . . . . 75.21 108.927 -175.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.5 HG22 ' HB3' ' A' ' 91' ' ' SER . 20.2 t -65.22 104.69 0.52 Allowed 'Isoleucine or valine' 0 C--O 1.243 0.714 0 O-C-N 123.868 0.73 . . . . 72.5 109.565 -179.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -83.17 -168.78 2.22 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.177 0.591 . . . . 71.31 110.073 177.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.473 ' HE1' ' HD2' ' A' ' 101' ' ' PRO . 50.7 p90 -60.28 136.71 58.12 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 123.515 0.726 . . . . 71.42 110.749 170.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -81.19 75.66 8.16 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 121.282 0.563 . . . . 72.4 109.713 176.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -119.97 -122.65 3.02 Favored Glycine 0 C--N 1.34 0.77 0 CA-C-O 118.681 -1.066 . . . . 74.43 110.574 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.473 ' HD2' ' HE1' ' A' ' 98' ' ' PHE . 36.7 Cg_exo -60.81 158.36 33.62 Favored 'Trans proline' 0 C--N 1.374 1.878 0 C-N-CA 122.931 2.421 . . . . 75.33 112.661 170.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.2 m -71.54 94.5 1.31 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.555 0.742 . . . . 73.41 109.486 176.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -94.85 132.19 39.92 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.159 0.584 . . . . 72.04 110.162 179.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.07 83.42 1.29 Allowed Glycine 0 C--N 1.345 1.056 0 O-C-N 123.598 0.561 . . . . 72.25 112.197 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.691 ' HB2' ' HB2' ' A' ' 90' ' ' SER . 77.0 mt -63.65 -38.89 92.82 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 109.333 -0.617 . . . . 74.04 109.333 173.138 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.404 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 16.3 m -77.06 132.24 71.18 Favored Pre-proline 0 CA--C 1.557 1.221 0 CA-C-N 115.289 -0.869 . . . . 75.42 109.7 170.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 106' ' ' VAL . 13.5 Cg_exo -70.81 132.63 22.01 Favored 'Trans proline' 0 C--N 1.374 1.896 0 C-N-CA 122.99 2.46 . . . . 73.43 112.35 177.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -77.58 77.7 4.1 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.559 0.744 . . . . 65.0 110.082 173.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -109.43 -167.26 20.27 Favored Glycine 0 C--N 1.338 0.687 0 CA-C-N 115.907 -0.588 . . . . 72.41 112.266 -178.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 42.2 m -125.02 99.76 6.27 Favored 'General case' 0 C--O 1.241 0.631 0 C-N-CA 123.389 0.676 . . . . 60.14 109.191 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 177.12 -130.59 1.66 Allowed Glycine 0 C--N 1.346 1.108 0 CA-C-O 119.483 -0.621 . . . . 61.54 112.1 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -76.0 -90.56 0.23 Allowed Glycine 0 C--N 1.351 1.404 0 CA-C-N 117.097 0.449 . . . . 75.13 112.439 -173.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.6 tt -70.29 -30.17 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 123.115 0.566 . . . . 61.04 109.654 176.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -62.47 -43.24 99.3 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 114.996 -1.002 . . . . 73.42 109.216 179.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -66.76 -46.54 74.12 Favored Glycine 0 C--N 1.349 1.266 0 CA-C-N 114.667 -1.151 . . . . 61.22 112.166 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 51.1 ttp -55.27 -50.71 68.83 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.324 0.649 . . . . 75.12 110.969 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 40.4 p -70.85 -45.37 64.6 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.509 -0.768 . . . . 72.55 111.451 -174.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 4.5 t -62.12 -38.77 90.19 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 123.255 0.347 . . . . 75.03 110.294 -178.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -71.76 -43.6 65.48 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 116.001 -0.545 . . . . 75.22 110.63 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1005 ' ' LEU . . . . . 0.484 ' HB3' HD13 ' A' ' 86' ' ' LEU . 52.7 mt -67.94 -32.81 73.52 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 112.023 0.379 . . . . 73.4 112.023 178.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 55.2 p -73.1 -43.23 62.05 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 118.021 0.373 . . . . 62.55 110.662 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -67.54 -29.56 68.98 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 120.992 0.425 . . . . 74.2 110.246 175.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1008 ' ' TRP . . . . . 0.62 ' HH2' HD11 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -67.55 -41.19 84.67 Favored 'General case' 0 C--O 1.216 -0.687 0 C-N-CA 124.848 1.259 . . . . 71.51 109.962 177.138 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1009 ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' 1005 ' ' LEU . 91.3 mt -73.46 -30.91 63.49 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 109.34 -0.615 . . . . 75.1 109.34 -179.237 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 95.5 m -64.48 -40.43 95.68 Favored 'General case' 0 CA--C 1.551 1.004 0 O-C-N 124.131 0.894 . . . . 73.11 110.536 171.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -73.95 -31.94 63.27 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.624 0.77 . . . . 75.04 111.162 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1012 ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' 1008 ' ' TRP . 26.7 mt -69.16 -43.41 74.34 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 108.508 -0.923 . . . . 73.25 108.508 176.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 22.0 t70 -59.62 -43.89 93.65 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 114.682 -1.144 . . . . 64.22 110.732 177.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 63.8 t30 -64.43 -47.97 77.11 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 124.054 0.846 . . . . 72.43 110.389 -178.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 38.0 t80 -61.65 -58.79 6.67 Favored 'General case' 0 C--N 1.357 0.901 0 C-N-CA 123.557 0.743 . . . . 73.25 110.701 178.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1016 ' ' GLU . . . . . 0.462 ' HG2' HD22 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -49.29 -53.68 20.69 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.236 1.414 . . . . 75.2 110.924 -177.622 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1017 ' ' ALA . . . . . 0.439 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -61.1 -58.9 6.44 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 124.138 0.899 . . . . 73.31 110.733 -178.398 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1018 ' ' LYS . . . . . 0.458 ' HG2' ' SD ' ' A' ' 48' ' ' MET . 0.4 OUTLIER -59.09 -40.33 84.94 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.478 0.711 . . . . 74.03 112.232 -175.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1019 ' ' MET . . . . . 0.619 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.3 OUTLIER -78.85 -24.0 44.64 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 116.582 -0.281 . . . . 75.32 110.918 -174.182 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -70.21 -36.25 74.46 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 109.267 -0.642 . . . . 64.31 109.267 167.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1021 ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' 1017 ' ' ALA . 93.4 mt -78.41 -11.95 59.98 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 118.276 -0.868 . . . . 63.11 112.0 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1022 ' ' LEU . . . . . 0.619 ' HG ' ' HA ' ' A' 1019 ' ' MET . 38.8 mt -49.3 107.65 0.82 Allowed Pre-proline 0 N--CA 1.5 2.034 0 C-N-CA 123.637 0.775 . . . . 75.3 111.46 171.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -83.86 -23.18 3.27 Favored 'Trans proline' 0 C--N 1.375 1.942 0 C-N-CA 122.526 2.151 . . . . 74.11 111.591 172.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -74.68 -44.62 49.31 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.935 0.894 . . . . 71.45 111.082 -175.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1025 ' ' VAL . . . . . . . . . . . . . 21.0 t . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.435 -0.793 . . . . 63.21 109.002 -179.498 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ptm . . . . . 0 N--CA 1.479 1.008 0 CA-C-O 118.842 -0.599 . . . . 75.22 111.967 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.8 p -66.74 -52.66 41.8 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 118.362 0.528 . . . . 75.52 110.214 177.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.8 t -55.27 -42.87 74.11 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.081 0.952 . . . . 61.42 111.191 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 50.3 m -59.08 -57.88 11.12 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.129 1.372 . . . . 72.12 111.624 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.9 p -68.41 -33.78 62.12 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 O-C-N 123.315 0.384 . . . . 72.03 110.64 -172.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -66.95 -48.7 67.79 Favored 'General case' 0 C--O 1.217 -0.652 0 C-N-CA 122.401 0.28 . . . . 75.2 110.299 176.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -58.42 -51.28 70.5 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.391 0.676 . . . . 72.21 110.808 -177.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.649 HD11 HG12 ' A' ' 60' ' ' ILE . 97.2 mt -64.03 -44.94 97.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.15 0.98 . . . . 72.21 111.391 -178.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.29 -39.55 78.26 Favored 'General case' 0 N--CA 1.484 1.266 0 O-C-N 123.397 0.436 . . . . 70.41 111.278 -176.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.532 ' HD3' HG22 ' A' ' 46' ' ' THR . 84.7 mtt180 -69.33 -40.69 77.43 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.747 0.654 . . . . 74.31 110.335 -178.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 36.3 m95 -65.28 -39.37 92.5 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 123.1 0.25 . . . . 73.23 111.426 173.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.407 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 59.2 tt0 -59.76 -42.83 94.12 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 123.969 0.793 . . . . 74.41 109.971 176.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -65.5 -44.0 88.42 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 123.901 0.751 . . . . 74.33 110.889 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 10' ' ' ARG . 73.0 mt -64.41 -35.72 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 122.947 0.499 . . . . 72.34 110.607 178.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.55 -50.76 66.03 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.802 0.841 . . . . 74.41 110.716 177.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 97.7 mt -63.98 -42.43 97.22 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 115.161 -0.927 . . . . 74.23 110.633 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.422 HD11 ' HA ' ' A' ' 40' ' ' TYR . 55.9 mt -62.81 -57.44 10.88 Favored 'General case' 0 C--O 1.213 -0.861 0 C-N-CA 124.012 0.925 . . . . 74.52 110.252 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 81.1 p -57.46 -37.38 72.79 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.846 0.858 . . . . 63.32 111.672 -177.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -63.37 -49.03 75.45 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.709 0.804 . . . . 72.11 110.955 176.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.7 m -60.9 -44.98 96.38 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 123.875 0.735 . . . . 75.54 110.406 178.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.53 HD11 ' HH2' ' A' 1008 ' ' TRP . 60.9 mt -64.24 -36.67 84.84 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.837 1.255 . . . . 71.42 110.634 -179.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.617 HD22 ' HA ' ' A' ' 74' ' ' ASN . 35.2 tp -65.53 -44.53 86.58 Favored 'General case' 0 C--N 1.351 0.647 0 C-N-CA 122.999 0.52 . . . . 74.22 109.882 178.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -59.84 -40.57 88.96 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 124.078 0.862 . . . . 63.22 109.995 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 75.8 mt -72.85 -25.63 61.18 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.11 0.964 . . . . 74.23 112.202 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.502 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -74.39 -39.72 62.51 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.047 0.539 . . . . 75.01 109.654 173.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -68.19 -28.32 67.16 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.835 0.854 . . . . 74.51 110.672 174.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -81.92 -27.44 33.35 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.272 1.029 . . . . 73.21 111.563 176.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.68 11.67 67.97 Favored Glycine 0 C--N 1.341 0.825 0 CA-C-O 119.467 -0.63 . . . . 73.55 113.605 -175.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.37 82.99 4.62 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.171 0.588 . . . . 75.11 110.457 174.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -73.91 -26.7 60.67 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 115.856 -0.611 . . . . 72.4 109.908 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -52.84 -51.67 60.07 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.805 1.242 . . . . 74.33 111.999 175.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.2 mt -73.68 -22.95 59.78 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.752 -0.658 . . . . 64.51 111.585 -176.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 42.1 mt -67.58 -43.67 80.0 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 109.555 -0.535 . . . . 73.31 109.555 171.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.69 -31.99 69.06 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.458 0.703 . . . . 75.21 111.862 177.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -70.27 -47.94 59.05 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.375 0.67 . . . . 65.22 110.214 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -87.25 -10.41 52.53 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.441 1.096 . . . . 54.15 112.0 -176.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.483 ' HG3' ' CE3' ' A' 1008 ' ' TRP . 31.3 tt0 -43.87 -56.71 3.71 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 124.087 0.955 . . . . 63.5 111.72 176.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.6 p -55.43 -41.2 61.59 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 C-N-CA 123.91 0.884 . . . . 75.34 112.155 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.4 m -72.24 -38.25 68.96 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.288 0.635 . . . . 74.05 112.156 -177.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.422 ' HA ' HD11 ' A' ' 17' ' ' LEU . 35.5 t80 -71.25 -46.29 61.33 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.178 0.591 . . . . 71.23 110.507 -177.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 77.9 mt -69.1 -33.42 73.47 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 123.822 0.701 . . . . 73.12 110.6 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -62.59 -45.01 94.88 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.417 0.687 . . . . 71.24 110.946 172.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.405 ' HA ' HG23 ' A' ' 46' ' ' THR . 6.7 t -67.57 -37.81 83.19 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 123.057 0.543 . . . . 63.22 109.899 -178.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.2 mt -59.12 -56.37 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.85 1.26 . . . . 75.55 111.329 176.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 12.5 pt-20 -67.35 -37.01 82.57 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 116.577 -0.283 . . . . 71.31 110.981 -176.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.532 HG22 ' HD3' ' A' ' 10' ' ' ARG . 4.3 t -71.75 -31.71 66.95 Favored 'General case' 0 C--N 1.36 1.048 0 O-C-N 122.998 0.186 . . . . 71.24 111.443 -175.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.9 p -77.49 -31.78 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 O-C-N 122.132 -0.355 . . . . 72.33 110.238 173.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 39.8 ttm -77.37 -12.2 59.93 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 122.615 0.366 . . . . 75.13 110.77 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 45' ' ' GLU . 50.9 mt-10 -71.86 -24.23 61.65 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 122.909 0.484 . . . . 74.43 110.6 165.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.445 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -98.72 92.42 5.58 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.908 0.883 . . . . 75.0 110.492 -178.653 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.3 mp0 -87.14 107.65 18.55 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.555 0.742 . . . . 64.52 109.329 168.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.547 ' HB ' HD11 ' A' ' 56' ' ' ILE . 32.9 p -81.46 147.51 60.05 Favored Pre-proline 0 CA--C 1.553 1.063 0 N-CA-C 109.426 -0.583 . . . . 74.45 109.426 168.137 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -63.39 156.81 54.0 Favored 'Trans proline' 0 CA--C 1.564 2.0 0 C-N-CA 122.729 2.286 . . . . 65.02 113.55 -178.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' 1024 ' ' ALA . 82.7 Cg_exo -49.04 -45.48 29.06 Favored 'Trans proline' 0 C--N 1.386 2.525 0 C-N-CA 123.853 3.035 . . . . 74.35 112.996 172.615 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -79.19 57.03 4.39 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 115.555 -0.748 . . . . 52.43 112.768 174.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.547 HD11 ' HB ' ' A' ' 52' ' ' THR . 10.3 tp -78.43 145.58 9.47 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 C-N-CA 123.674 0.79 . . . . 72.32 108.952 175.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.9 t -65.97 155.04 37.76 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.515 0.326 . . . . 75.42 111.025 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -58.11 -40.16 80.49 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.251 1.02 . . . . 74.31 111.476 -172.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.8 m -55.11 -55.79 27.08 Favored 'General case' 0 C--O 1.247 0.942 0 C-N-CA 123.617 0.767 . . . . 74.5 111.759 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.649 HG12 HD11 ' A' ' 8' ' ' ILE . 57.9 mt -67.8 -38.84 80.88 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-N 115.057 -0.974 . . . . 74.13 109.958 -178.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -53.38 -54.6 34.37 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.471 0.708 . . . . 74.41 110.433 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.68 -43.49 47.14 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 123.965 0.79 . . . . 62.24 112.139 -173.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 74.6 mtm -61.26 -50.46 72.94 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-O 120.648 0.261 . . . . 72.04 110.861 179.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.0 t -66.99 -37.26 79.04 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.701 0 CA-C-N 115.574 -0.739 . . . . 74.14 111.198 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.81 -31.59 72.6 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-N 118.182 0.446 . . . . 73.15 110.821 175.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.52 -44.73 71.16 Favored Glycine 0 C--N 1.351 1.369 0 O-C-N 123.911 0.757 . . . . 75.15 111.6 173.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -67.66 -28.97 68.16 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.074 0.55 . . . . 74.24 111.18 178.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.442 HG12 ' HE3' ' A' 1019 ' ' MET . 20.5 mt -74.02 -43.69 51.6 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 124.744 1.218 . . . . 73.42 109.643 179.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -61.59 -42.65 99.16 Favored 'General case' 0 C--N 1.35 0.625 0 N-CA-C 109.724 -0.473 . . . . 74.22 109.724 174.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -56.77 -60.14 4.0 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 123.954 0.784 . . . . 71.33 110.176 176.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.7 t -66.57 -42.41 87.1 Favored 'General case' 0 C--O 1.212 -0.891 0 CA-C-O 118.968 -0.539 . . . . 75.53 112.09 -171.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 67.9 mt -69.89 -34.68 73.84 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 119.302 -0.38 . . . . 70.2 111.811 -177.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -73.76 -46.28 46.67 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 122.835 0.454 . . . . 72.53 109.886 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.617 ' HA ' HD22 ' A' ' 22' ' ' LEU . 90.4 m-20 -62.0 -41.69 98.32 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.77 0.828 . . . . 74.2 110.672 178.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.549 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 35.1 tt0 -77.56 -29.05 52.01 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.016 0.926 . . . . 72.45 110.831 -178.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -60.8 -46.98 88.38 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 109.204 -0.665 . . . . 74.12 109.204 172.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.7 mt -69.82 -34.59 73.89 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 114.663 -1.153 . . . . 74.53 111.4 176.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.549 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 18.1 mt -59.81 -63.35 1.33 Allowed 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.178 0.591 . . . . 74.43 110.504 174.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.464 ' HE2' ' HG2' ' A' ' 75' ' ' GLU . 45.4 mtmt -55.59 -38.87 69.97 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.291 1.037 . . . . 73.34 112.828 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.33 -51.87 55.24 Favored Glycine 0 C--N 1.344 0.998 0 O-C-N 123.368 0.417 . . . . 75.14 112.365 175.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.502 HD22 ' HB2' ' A' ' 25' ' ' ALA . 10.1 tt -68.38 -39.23 81.82 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.222 1.009 . . . . 75.15 111.26 -176.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.475 HD11 ' HE1' ' A' 1008 ' ' TRP . 36.2 mt -79.2 -31.85 43.86 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.063 0.945 . . . . 74.02 111.011 -174.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 59.1 tp60 -68.8 -47.46 66.05 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.96 -0.756 . . . . 73.32 108.96 173.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.414 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 7.2 tp-100 -53.76 -41.54 67.27 Favored 'General case' 0 CA--C 1.55 0.955 0 O-C-N 124.312 1.008 . . . . 73.03 110.945 173.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -75.18 -41.58 57.73 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.515 0.726 . . . . 72.42 111.126 -174.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.442 HD22 HD13 ' A' ' 89' ' ' LEU . 88.8 mt -73.22 -21.91 60.55 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.962 0.505 . . . . 74.43 111.055 179.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -74.68 -40.25 61.5 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.021 -0.733 . . . . 70.13 109.021 173.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.495 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 46.1 mt-10 -57.79 -56.21 24.83 Favored 'General case' 0 C--N 1.366 1.301 0 O-C-N 123.765 0.666 . . . . 72.23 109.656 171.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.442 HD13 HD22 ' A' ' 86' ' ' LEU . 95.2 mt -59.67 -37.51 78.96 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.929 1.292 . . . . 75.44 112.239 -178.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.0 t -60.86 -46.5 90.35 Favored 'General case' 0 C--N 1.35 0.628 0 N-CA-C 109.218 -0.66 . . . . 73.05 109.218 174.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.531 ' HA ' ' HB3' ' A' ' 95' ' ' GLN . 17.7 t -69.94 -32.0 70.04 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 115.523 -0.762 . . . . 74.22 112.228 -179.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 64.3 mt -71.71 -53.04 14.79 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 122.827 0.451 . . . . 75.32 110.309 -177.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 75.7 mt -69.5 -36.94 73.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 115.111 -0.949 . . . . 73.44 110.599 -177.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 162.01 103.45 0.18 Allowed Glycine 0 C--N 1.343 0.924 0 N-CA-C 111.466 -0.653 . . . . 64.2 111.466 175.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.531 ' HB3' ' HA ' ' A' ' 91' ' ' SER . 11.3 pt20 -66.09 91.56 0.16 Allowed 'General case' 0 N--CA 1.48 1.042 0 CA-C-O 121.492 0.663 . . . . 73.43 111.352 -178.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.448 HG22 HD21 ' A' ' 97' ' ' LEU . 8.7 p -91.77 -47.05 14.31 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 CA-C-N 115.347 -0.842 . . . . 70.02 109.024 174.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.448 HD21 HG22 ' A' ' 96' ' ' VAL . 2.9 mm? -136.64 168.72 18.96 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 125.161 1.384 . . . . 74.15 108.626 173.077 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -112.89 -49.24 2.94 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.033 0.933 . . . . 74.51 110.031 -177.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -81.28 141.48 34.05 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.713 0.405 . . . . 73.52 110.002 171.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 152.67 71.26 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 123.799 0.687 . . . . 70.22 111.984 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -75.48 -0.25 9.9 Favored 'Trans proline' 0 C--N 1.38 2.214 0 C-N-CA 122.929 2.419 . . . . 73.53 112.759 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.666 ' HA ' ' HB ' ' A' 1006 ' ' THR . 54.0 m -142.95 10.89 1.78 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.507 0.723 . . . . 75.53 111.543 176.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -97.22 131.14 44.24 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 123.052 0.541 . . . . 73.1 109.801 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -80.48 74.76 2.31 Favored Glycine 0 C--N 1.346 1.119 0 N-CA-C 110.708 -0.957 . . . . 61.24 110.708 174.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.407 HD22 ' HB2' ' A' ' 97' ' ' LEU . 91.9 mt -63.63 -26.43 68.67 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.021 0.928 . . . . 74.33 112.115 -174.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 20.3 m -91.53 144.0 28.92 Favored Pre-proline 0 CA--C 1.555 1.149 0 N-CA-C 108.965 -0.754 . . . . 75.24 108.965 172.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.9 118.3 5.6 Favored 'Trans proline' 0 C--N 1.372 1.808 0 C-N-CA 122.085 1.856 . . . . 74.21 112.363 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 7.6 ptp85 -83.85 163.04 20.34 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.174 0.59 . . . . 73.31 110.506 175.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 73.49 41.75 43.39 Favored Glycine 0 C--N 1.342 0.861 0 N-CA-C 111.46 -0.656 . . . . 75.12 111.46 -168.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 37.6 t -139.62 -48.44 0.47 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.816 0.847 . . . . 72.22 111.536 -175.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -162.39 -137.72 2.25 Favored Glycine 0 C--N 1.354 1.536 0 C-N-CA 121.276 -0.487 . . . . 74.41 114.003 -171.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -107.08 -22.85 7.33 Favored Glycine 0 C--N 1.355 1.6 0 CA-C-O 119.9 -0.389 . . . . 70.14 113.469 -176.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 26.8 pt -57.79 -36.19 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 C-N-CA 123.145 0.578 . . . . 70.21 111.327 177.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.22 -37.92 75.8 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.66 1.184 . . . . 73.4 111.372 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -63.16 -58.94 9.84 Favored Glycine 0 C--N 1.351 1.392 0 N-CA-C 110.559 -1.017 . . . . 71.25 110.559 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 51.2 ttp -56.86 -44.49 82.22 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.513 0.725 . . . . 71.32 111.721 -178.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 40.3 p -70.74 -54.04 13.26 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-O 119.167 -0.444 . . . . 72.55 111.887 -176.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 85.6 m -58.58 -41.49 85.86 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.17 0.588 . . . . 51.42 111.105 -178.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -62.52 -53.57 52.76 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 123.902 0.751 . . . . 74.14 110.623 175.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1005 ' ' LEU . . . . . 0.488 ' HA ' ' HB3' ' A' 1008 ' ' TRP . 36.4 mt -67.77 -27.83 67.09 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 112.637 0.606 . . . . 73.02 112.637 -176.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1006 ' ' THR . . . . . 0.666 ' HB ' ' HA ' ' A' ' 102' ' ' SER . 40.8 p -76.16 -45.17 34.72 Favored 'General case' 0 C--O 1.25 1.088 0 CA-C-N 118.547 0.612 . . . . 74.13 110.23 178.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1007 ' ' ARG . . . . . 0.414 ' HA ' HG23 ' A' 1010 ' ' THR . 46.9 ttt85 -65.09 -30.69 71.66 Favored 'General case' 0 CA--C 1.555 1.136 0 CA-C-O 121.417 0.627 . . . . 74.1 110.001 174.024 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1008 ' ' TRP . . . . . 0.53 ' HH2' HD11 ' A' ' 21' ' ' LEU . 3.3 t-105 -65.63 -48.73 71.23 Favored 'General case' 0 C--O 1.218 -0.593 0 C-N-CA 124.658 1.183 . . . . 74.5 109.879 174.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1009 ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' 1005 ' ' LEU . 65.5 mt -63.44 -34.62 78.14 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 118.025 0.375 . . . . 71.32 111.22 -179.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1010 ' ' THR . . . . . 0.475 ' HB ' ' OG ' ' A' ' 102' ' ' SER . 13.0 t -79.31 -25.68 42.35 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-N 117.972 0.351 . . . . 74.13 111.521 176.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -71.63 -35.98 70.59 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 110.051 -0.351 . . . . 73.15 110.051 174.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1012 ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' 1008 ' ' TRP . 27.0 mt -72.46 -36.89 68.6 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.751 0.82 . . . . 72.25 110.024 176.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 20.9 t70 -67.92 -40.91 83.29 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.978 0.911 . . . . 73.25 110.576 178.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 54.9 t30 -68.48 -41.45 80.08 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.709 0.804 . . . . 63.12 110.067 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 35.4 t80 -57.16 -58.8 6.61 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 123.401 0.681 . . . . 74.54 110.09 173.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -52.49 -44.69 65.8 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 124.52 1.138 . . . . 72.3 111.446 -178.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -61.24 -61.22 2.71 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 123.974 0.797 . . . . 60.31 111.02 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -59.33 -39.87 84.52 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.422 0.689 . . . . 71.54 111.693 -176.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1019 ' ' MET . . . . . 0.637 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.3 OUTLIER -81.11 -27.19 35.68 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.092 -0.504 . . . . 64.03 111.633 -171.586 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -75.57 -28.15 58.87 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 109.99 -0.374 . . . . 62.24 109.99 170.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 93.6 mt -81.4 -17.0 50.49 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 117.756 -1.116 . . . . 75.14 112.364 176.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1022 ' ' LEU . . . . . 0.637 ' HG ' ' HA ' ' A' 1019 ' ' MET . 36.7 mt -41.31 102.87 0.28 Allowed Pre-proline 0 N--CA 1.501 2.106 0 O-C-N 123.868 0.73 . . . . 71.23 111.593 174.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -88.53 43.07 0.72 Allowed 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 123.223 2.615 . . . . 72.14 110.706 -175.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1024 ' ' ALA . . . . . 0.423 ' HA ' ' HA ' ' A' ' 54' ' ' PRO . . . -148.13 -53.58 0.19 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-N 114.883 -1.053 . . . . 74.52 110.39 -167.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1025 ' ' VAL . . . . . . . . . . . . . 11.9 t . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.068 -0.967 . . . . 73.41 109.074 -176.168 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ttt . . . . . 0 CA--C 1.551 0.984 0 CA-C-O 119.207 -0.425 . . . . 75.14 111.637 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.3 p -58.46 -52.32 66.12 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 118.43 0.559 . . . . 72.45 111.804 -176.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 m -63.3 -29.88 71.12 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.537 0.735 . . . . 72.41 111.399 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 44.5 m -67.8 -45.97 73.26 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.991 0.917 . . . . 74.45 110.923 176.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.4 t -62.03 -42.73 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.367 0.667 . . . . 75.44 109.674 177.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -57.77 -57.67 11.73 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 123.868 0.73 . . . . 74.44 110.389 176.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -54.97 -58.56 7.14 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 124.39 1.076 . . . . 74.43 111.455 -173.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.494 HD11 HG12 ' A' ' 60' ' ' ILE . 76.9 mt -63.73 -48.0 88.52 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.883 0 C-N-CA 124.169 0.988 . . . . 75.33 111.826 -176.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.504 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 21.6 m-80 -69.19 -38.73 78.8 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 118.734 -0.65 . . . . 75.43 111.376 -176.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.51 ' HD3' HG22 ' A' ' 46' ' ' THR . 98.0 mtt180 -62.66 -48.65 78.4 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 122.661 0.384 . . . . 74.55 110.084 178.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 52.0 m95 -56.51 -39.36 73.18 Favored 'General case' 0 N--CA 1.484 1.232 0 O-C-N 123.911 0.757 . . . . 74.23 111.048 175.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -62.92 -42.07 99.68 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.367 0.667 . . . . 73.53 111.424 175.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 27.8 mmt180 -61.3 -45.66 93.55 Favored 'General case' 0 C--N 1.36 1.05 0 N-CA-C 109.36 -0.607 . . . . 75.23 109.36 -179.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 10' ' ' ARG . 51.2 mt -65.91 -36.12 76.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 O-C-N 124.063 0.852 . . . . 72.24 110.757 -178.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.47 -49.24 74.4 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.233 0.613 . . . . 72.33 111.414 177.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.1 mt -69.06 -40.65 78.37 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 115.118 -0.947 . . . . 74.24 110.525 -178.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.6 mt -65.28 -45.62 83.75 Favored 'General case' 0 C--O 1.212 -0.886 0 C-N-CA 123.716 0.806 . . . . 71.22 109.984 178.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.9 p -65.17 -41.81 94.31 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 123.248 0.343 . . . . 63.51 111.118 -176.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.476 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 27.5 pt20 -72.22 -34.19 68.14 Favored 'General case' 0 C--N 1.358 0.964 0 O-C-N 123.318 0.386 . . . . 75.34 111.393 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.517 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 73.2 m -65.8 -54.89 20.88 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 109.927 -0.397 . . . . 73.52 109.927 176.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.61 ' HA ' HD11 ' A' ' 24' ' ' LEU . 90.5 mt -55.83 -33.13 64.19 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.905 1.282 . . . . 75.51 111.147 177.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.451 HD21 ' HA ' ' A' ' 74' ' ' ASN . 52.8 tp -64.05 -52.43 59.42 Favored 'General case' 0 C--N 1.346 0.425 0 O-C-N 123.951 0.782 . . . . 62.4 110.614 175.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 19' ' ' GLN . 19.9 mm-40 -57.18 -42.23 80.77 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 124.022 0.826 . . . . 74.45 111.268 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.61 HD11 ' HA ' ' A' ' 21' ' ' LEU . 41.7 mt -62.36 -46.25 89.5 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 114.452 -1.249 . . . . 74.05 110.319 178.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.425 ' HB3' HD22 ' A' ' 81' ' ' LEU . . . -65.93 -36.92 84.7 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.872 0.869 . . . . 73.04 111.342 -178.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -65.34 -37.23 86.45 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 115.498 -0.774 . . . . 73.12 110.466 176.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -88.94 -13.64 38.54 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 112.784 0.661 . . . . 74.51 112.784 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.58 12.76 56.65 Favored Glycine 0 C--N 1.351 1.384 0 N-CA-C 115.119 0.808 . . . . 63.12 115.119 176.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -76.68 77.08 3.33 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 117.8 0.8 . . . . 74.25 110.477 171.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.417 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 26.7 m95 -72.2 -29.32 63.85 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.463 0.705 . . . . 73.1 111.001 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -55.86 -46.04 78.34 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.716 1.206 . . . . 73.34 111.556 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.423 HD11 HD22 ' A' ' 24' ' ' LEU . 83.3 mt -73.25 -21.19 60.68 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.116 -0.947 . . . . 73.24 111.32 -179.013 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.561 ' HA ' HD21 ' A' ' 21' ' ' LEU . 11.2 mp -68.81 -45.52 71.02 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 109.48 -0.563 . . . . 72.51 109.48 169.296 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.462 HD22 ' HD3' ' A' 1004 ' ' ARG . 47.9 mt -67.61 -31.9 72.25 Favored 'General case' 0 N--CA 1.483 1.199 0 O-C-N 124.111 0.882 . . . . 73.55 111.246 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -72.86 -55.44 6.66 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.497 0.719 . . . . 74.45 110.568 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.542 ' HB2' HD22 ' A' ' 21' ' ' LEU . 14.7 mt-30 -79.83 -8.99 59.6 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.209 1.004 . . . . 74.32 112.028 -177.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -44.27 -53.61 6.5 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 125.41 1.484 . . . . 75.31 112.158 173.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.7 m -60.11 -42.66 90.75 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 O-C-N 123.854 0.721 . . . . 74.41 111.508 -177.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.9 m -67.2 -44.93 78.37 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.829 0.852 . . . . 74.4 111.099 -178.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -65.99 -50.77 63.12 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.219 1.007 . . . . 73.33 111.39 -176.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.8 mt -68.0 -35.82 78.96 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 123.826 0.704 . . . . 75.34 111.031 -178.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -62.14 -44.57 96.34 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.932 0.493 . . . . 72.32 110.944 174.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.6 m -62.05 -41.94 98.66 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.188 0.595 . . . . 64.24 110.797 177.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.408 HG21 ' CD2' ' A' 1015 ' ' PHE . 16.4 mt -58.4 -53.5 45.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.371 1.069 . . . . 75.41 111.314 178.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.26 -37.24 77.83 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 116.424 -0.353 . . . . 74.04 111.114 -174.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.51 HG22 ' HD3' ' A' ' 10' ' ' ARG . 6.3 t -72.99 -34.19 66.27 Favored 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 111.546 0.202 . . . . 75.52 111.546 -177.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.2 p -78.26 -36.88 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 O-C-N 122.035 -0.416 . . . . 74.42 110.817 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 56.9 ttm -68.13 -32.04 72.04 Favored 'General case' 0 C--N 1.358 0.954 0 N-CA-C 109.482 -0.562 . . . . 75.55 109.482 177.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -61.77 -33.81 74.74 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.329 0.652 . . . . 75.43 111.033 173.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.7 tppt? -107.6 76.99 1.1 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.077 0.551 . . . . 74.44 109.812 -176.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -88.1 147.16 25.06 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 109.66 -0.496 . . . . 74.33 109.66 176.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 30.8 p -99.99 141.18 22.27 Favored Pre-proline 0 N--CA 1.473 0.688 0 C-N-CA 123.225 0.61 . . . . 73.32 109.913 177.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -50.2 154.5 5.63 Favored 'Trans proline' 0 C--N 1.384 2.441 0 C-N-CA 122.899 2.399 . . . . 74.41 114.279 177.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.56 ' HA ' ' HB3' ' A' 1024 ' ' ALA . 33.2 Cg_exo -39.85 -46.37 3.75 Favored 'Trans proline' 0 C--N 1.384 2.422 0 C-N-CA 124.859 3.706 . . . . 64.24 114.625 174.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -72.18 73.65 0.88 Allowed Glycine 0 C--N 1.346 1.137 0 O-C-N 124.012 0.82 . . . . 64.11 112.725 175.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.8 tp -102.74 143.03 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 123.93 0.892 . . . . 64.11 108.699 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 82.0 p -70.41 142.38 52.05 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.358 0.663 . . . . 72.01 109.835 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.76 -39.5 52.37 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.021 0.928 . . . . 74.42 111.674 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.8 m -58.05 -58.64 7.54 Favored 'General case' 0 C--O 1.249 1.075 0 O-C-N 123.533 0.521 . . . . 61.41 111.369 -177.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.494 HG12 HD11 ' A' ' 8' ' ' ILE . 65.8 mt -63.86 -48.05 88.01 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 CA-C-N 115.179 -0.919 . . . . 72.14 109.446 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.91 -49.24 40.92 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.381 1.472 . . . . 75.41 111.241 178.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -74.9 -48.11 26.46 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.835 0.854 . . . . 64.33 111.056 -171.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 77.7 mtm -60.94 -49.06 78.97 Favored 'General case' 0 N--CA 1.482 1.151 0 O-C-N 123.575 0.547 . . . . 73.24 110.612 178.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.7 t -62.54 -39.36 84.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 124.118 0.967 . . . . 73.24 111.131 177.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.02 -30.63 71.62 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 122.74 0.416 . . . . 72.44 110.88 177.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.96 -42.03 79.62 Favored Glycine 0 C--N 1.353 1.501 0 O-C-N 124.063 0.852 . . . . 74.03 111.899 173.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -70.25 -28.7 65.45 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.113 0.565 . . . . 72.12 111.245 176.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.505 ' HA ' HG23 ' A' ' 71' ' ' THR . 26.6 mt -75.58 -38.91 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 124.901 1.281 . . . . 75.31 109.708 177.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -61.71 -45.86 92.16 Favored 'General case' 0 C--O 1.248 0.999 0 N-CA-C 109.148 -0.686 . . . . 71.52 109.148 176.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -61.06 -60.23 4.11 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 114.278 -1.328 . . . . 65.0 110.55 177.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.505 HG23 ' HA ' ' A' ' 68' ' ' ILE . 15.1 t -62.73 -38.99 92.7 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-O 119.194 -0.431 . . . . 74.25 112.138 -171.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.563 HD22 ' HG3' ' A' 1016 ' ' GLU . 44.8 mt -68.79 -42.34 77.51 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 111.998 0.37 . . . . 73.44 111.998 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -70.28 -46.59 64.03 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 120.786 0.327 . . . . 72.3 110.788 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.459 ' ND2' ' HB3' ' A' ' 19' ' ' GLN . 90.7 m-20 -63.34 -42.84 98.98 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.519 1.128 . . . . 73.44 111.192 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.633 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 35.0 tt0 -75.18 -32.73 61.33 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 123.816 0.697 . . . . 74.13 110.756 -178.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -62.38 -42.6 99.54 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 108.98 -0.748 . . . . 74.21 108.98 175.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.4 mt -69.7 -34.73 74.32 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 115.013 -0.994 . . . . 74.4 111.368 174.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.633 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 5.6 mt -62.33 -64.61 0.88 Allowed 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.681 0.793 . . . . 74.35 109.864 177.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 83' ' ' GLN . 60.5 pttt -66.07 -29.88 70.3 Favored 'General case' 0 C--O 1.22 -0.495 0 O-C-N 124.044 0.84 . . . . 74.13 111.725 -176.23 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.29 -59.8 8.89 Favored Glycine 0 C--N 1.356 1.644 0 N-CA-C 111.506 -0.637 . . . . 52.42 111.506 174.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.425 HD22 ' HB3' ' A' ' 25' ' ' ALA . 6.8 tt -53.69 -51.42 63.28 Favored 'General case' 0 C--N 1.349 0.576 0 C-N-CA 124.021 0.928 . . . . 72.21 110.663 177.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.426 HD11 ' HE1' ' A' 1008 ' ' TRP . 28.9 mt -65.44 -32.02 73.42 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.647 1.179 . . . . 74.55 112.554 -175.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.459 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 0.4 OUTLIER -66.06 -48.43 71.07 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 107.57 -1.27 . . . . 75.2 107.57 176.625 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -61.39 -38.95 88.91 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 124.348 1.03 . . . . 73.51 111.494 177.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -69.62 -39.99 76.87 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-N 115.227 -0.897 . . . . 74.53 110.793 -177.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.509 HD11 ' HB3' ' A' 1005 ' ' LEU . 88.3 mt -74.73 -26.11 59.57 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 119.082 -0.485 . . . . 71.44 110.859 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -59.57 -51.69 68.77 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 108.517 -0.92 . . . . 74.22 108.517 168.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.5 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 11.6 tp10 -59.37 -60.11 4.38 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 124.792 1.307 . . . . 65.31 110.616 -178.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 95.8 mt -53.7 -41.91 67.46 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.345 1.458 . . . . 70.32 112.162 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 75.2 m -61.8 -47.58 84.46 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 110.253 -0.277 . . . . 75.31 110.253 174.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.7 m -64.49 -23.71 67.37 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.919 0.488 . . . . 70.43 112.176 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 47.0 mt -79.7 -52.9 7.36 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-O 121.562 0.696 . . . . 74.14 110.484 175.206 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.574 HD13 HD13 ' A' ' 113' ' ' ILE . 73.5 mt -89.4 -57.63 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-N 114.642 -1.163 . . . . 72.12 112.059 -165.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -134.26 71.96 0.48 Allowed Glycine 0 C--N 1.346 1.1 0 N-CA-C 110.386 -1.085 . . . . 72.4 110.386 -177.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -68.85 84.64 0.31 Allowed 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.464 1.106 . . . . 73.21 110.465 -174.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 99.4 t -108.07 -51.44 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.271 1.028 . . . . 74.13 108.752 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.411 HD13 ' N ' ' A' ' 98' ' ' PHE . 1.3 tm? -164.43 162.6 22.12 Favored 'General case' 0 C--O 1.245 0.838 0 N-CA-C 107.928 -1.138 . . . . 73.12 107.928 -175.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.411 ' N ' HD13 ' A' ' 97' ' ' LEU . 59.3 m-85 -60.72 152.17 27.45 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.801 0.841 . . . . 75.05 110.405 173.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.453 HE21 HG21 ' A' 1006 ' ' THR . 25.4 tm0? -60.4 104.04 0.29 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.024 0.53 . . . . 65.52 110.867 -177.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -88.0 166.88 35.77 Favored Glycine 0 CA--C 1.529 0.915 0 CA-C-O 118.738 -1.034 . . . . 63.43 111.011 167.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -54.44 -34.87 83.15 Favored 'Trans proline' 0 C--N 1.375 1.956 0 C-N-CA 123.131 2.554 . . . . 74.3 112.334 -178.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.3 t -155.56 126.08 6.83 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.354 1.062 . . . . 51.14 108.285 174.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -165.19 164.55 20.11 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.365 0.666 . . . . 73.23 109.838 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -77.42 73.21 2.06 Favored Glycine 0 C--N 1.347 1.159 0 N-CA-C 111.67 -0.572 . . . . 64.03 111.67 175.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 79.8 mt -118.35 132.98 56.25 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.712 1.205 . . . . 74.11 108.529 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 40.5 t 54.66 52.14 8.39 Favored Pre-proline 0 CA--C 1.577 2.016 0 O-C-N 124.364 1.04 . . . . 74.4 109.41 -169.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -84.91 -1.14 9.41 Favored 'Trans proline' 0 C--N 1.388 2.627 0 C-N-CA 123.169 2.579 . . . . 74.42 112.956 -169.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.623 ' HA ' ' HE ' ' A' ' 108' ' ' ARG . 0.1 OUTLIER -152.66 42.62 0.64 Allowed 'General case' 0 C--N 1.346 0.44 0 N-CA-C 107.839 -1.171 . . . . 75.32 107.839 173.707 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -71.44 84.38 0.44 Allowed Glycine 0 C--N 1.347 1.182 0 CA-C-N 114.469 -1.241 . . . . 75.21 112.959 -177.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 17.7 m 60.71 8.18 1.68 Allowed 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.726 1.21 . . . . 75.54 113.375 173.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 61.3 25.81 65.29 Favored Glycine 0 C--N 1.357 1.734 0 O-C-N 123.348 0.405 . . . . 74.03 113.087 -173.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -142.81 -65.63 0.02 OUTLIER Glycine 0 C--N 1.353 1.517 0 CA-C-N 116.936 0.368 . . . . 73.21 112.349 -172.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.574 HD13 HD13 ' A' ' 93' ' ' ILE . 18.7 pt -64.82 -14.56 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 C-N-CA 123.777 0.831 . . . . 73.34 112.822 -176.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -49.82 -37.62 31.28 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.286 1.034 . . . . 63.31 111.654 172.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -64.17 -40.89 98.45 Favored Glycine 0 C--N 1.355 1.609 0 O-C-N 123.837 0.711 . . . . 42.23 112.819 177.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 48.3 ttp -66.9 -42.09 86.07 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.094 0.958 . . . . 64.25 111.034 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 30.5 p -69.9 -41.83 74.2 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.367 0.267 . . . . 74.43 110.882 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 51.6 m -56.8 -47.79 79.41 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.396 0.678 . . . . 74.31 110.82 173.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1004 ' ' ARG . . . . . 0.462 ' HD3' HD22 ' A' ' 34' ' ' LEU . 60.9 mtt-85 -52.71 -60.5 3.18 Favored 'General case' 0 C--N 1.354 0.799 0 O-C-N 124.473 1.108 . . . . 72.52 110.643 175.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1005 ' ' LEU . . . . . 0.584 ' HA ' ' HB3' ' A' 1008 ' ' TRP . 59.7 mt -68.08 -28.71 67.59 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 124.353 1.033 . . . . 64.41 112.89 -171.086 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1006 ' ' THR . . . . . 0.453 HG21 HE21 ' A' ' 99' ' ' GLN . 41.4 p -71.93 -45.79 59.88 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 118.535 0.607 . . . . 73.32 109.791 175.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -66.19 -27.85 68.31 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 122.903 0.481 . . . . 74.04 111.598 174.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1008 ' ' TRP . . . . . 0.584 ' HB3' ' HA ' ' A' 1005 ' ' LEU . 4.4 t-105 -71.98 -45.26 61.67 Favored 'General case' 0 C--O 1.217 -0.61 0 C-N-CA 125.039 1.335 . . . . 74.12 109.757 179.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1009 ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' 1005 ' ' LEU . 72.6 mt -70.81 -32.79 69.98 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 109.505 -0.554 . . . . 73.12 109.505 -178.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 52.5 m -59.67 -48.53 81.29 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 114.334 -1.303 . . . . 75.12 110.18 170.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -70.31 -30.92 68.02 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.697 0.799 . . . . 74.33 111.82 -178.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1012 ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' 1008 ' ' TRP . 18.1 mt -71.07 -54.63 10.47 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.674 0.609 . . . . 71.33 109.755 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 11.5 t70 -63.4 -32.63 74.11 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 115.854 -0.612 . . . . 74.52 110.542 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 5.7 t30 -60.74 -47.99 83.8 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.353 1.061 . . . . 74.24 110.563 172.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1015 ' ' PHE . . . . . 0.408 ' CD2' HG21 ' A' ' 44' ' ' ILE . 38.5 t80 -60.6 -58.63 7.66 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 123.848 0.717 . . . . 73.33 110.187 178.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1016 ' ' GLU . . . . . 0.563 ' HG3' HD22 ' A' ' 72' ' ' LEU . 33.5 tt0 -51.2 -49.77 60.35 Favored 'General case' 0 C--N 1.354 0.777 0 O-C-N 124.646 1.216 . . . . 54.03 112.233 -178.206 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1017 ' ' ALA . . . . . 0.431 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -61.52 -57.99 9.91 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 123.96 0.788 . . . . 70.41 111.025 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -64.4 -30.23 71.27 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 115.762 -0.654 . . . . 73.31 112.163 -175.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1019 ' ' MET . . . . . 0.596 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.8 OUTLIER -84.61 -22.01 30.13 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 120.572 0.225 . . . . 64.15 111.007 -178.161 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -71.78 -27.82 63.21 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.931 0.492 . . . . 54.45 109.998 166.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1021 ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' 1017 ' ' ALA . 85.8 mt -80.5 -24.21 39.57 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.557 0.743 . . . . 72.33 111.752 175.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1022 ' ' LEU . . . . . 0.596 ' HG ' ' HA ' ' A' 1019 ' ' MET . 30.9 mt -49.22 112.59 2.59 Favored Pre-proline 0 N--CA 1.499 1.993 0 C-N-CA 123.499 0.72 . . . . 72.22 111.831 175.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -78.27 90.92 1.22 Allowed 'Trans proline' 0 C--N 1.376 2.005 0 C-N-CA 123.171 2.581 . . . . 75.33 111.851 -172.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1024 ' ' ALA . . . . . 0.56 ' HB3' ' HA ' ' A' ' 54' ' ' PRO . . . 65.89 36.48 5.99 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.377 1.071 . . . . 75.34 110.168 -170.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1025 ' ' VAL . . . . . 0.554 ' HA ' ' HB3' ' A' 1022 ' ' LEU . 4.0 t . . . . . 0 C--O 1.25 1.132 0 C-N-CA 126.643 1.977 . . . . 73.34 110.35 178.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.48 1.056 0 CA-C-O 119.537 -0.268 . . . . 72.14 111.039 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.9 p -55.93 -45.66 78.7 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.91 0.484 . . . . 70.14 111.51 -177.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.472 ' HA ' ' HZ1' ' A' ' 50' ' ' LYS . 53.3 p -53.65 -48.33 69.51 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.955 0.902 . . . . 73.44 111.291 174.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 75.9 m -64.12 -54.25 36.76 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.791 1.236 . . . . 71.23 112.631 -177.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.0 p -65.6 -39.8 86.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 123.089 0.556 . . . . 74.11 110.342 -174.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -64.18 -42.3 96.75 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 110.158 -0.312 . . . . 73.21 110.158 175.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.438 ' HZ ' HG22 ' A' 1025 ' ' VAL . 20.5 t80 -55.6 -51.88 65.67 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 123.779 0.832 . . . . 74.44 110.636 178.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 72.3 mt -63.63 -46.27 95.27 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.996 0 C-N-CA 124.546 1.138 . . . . 65.51 111.347 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -70.22 -36.77 74.77 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.376 0.671 . . . . 75.15 112.038 -175.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.509 ' O ' HG13 ' A' ' 14' ' ' ILE . 69.0 mtt180 -69.47 -46.34 66.88 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 109.075 -0.713 . . . . 63.54 109.075 178.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 30.4 m95 -58.17 -40.63 81.96 Favored 'General case' 0 N--CA 1.483 1.193 0 O-C-N 123.911 0.757 . . . . 73.44 111.603 174.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -64.38 -42.31 96.22 Favored 'General case' 0 C--N 1.35 0.598 0 O-C-N 123.735 0.647 . . . . 71.01 110.125 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.9 ttm-85 -61.8 -43.0 99.71 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 124.071 0.857 . . . . 75.55 110.259 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 10' ' ' ARG . 62.0 mt -65.23 -39.97 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 O-C-N 123.749 0.655 . . . . 60.34 110.628 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.09 -47.5 79.83 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.678 0.791 . . . . 74.32 111.005 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.59 -45.34 87.36 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.893 0.877 . . . . 75.14 110.647 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 51.1 mt -62.15 -47.85 82.71 Favored 'General case' 0 C--O 1.21 -0.999 0 O-C-N 124.044 0.84 . . . . 75.12 110.552 178.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.7 t -62.76 -40.8 98.39 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 123.827 0.704 . . . . 74.54 110.679 -175.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -64.76 -49.95 68.73 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 124.045 0.84 . . . . 73.21 110.689 178.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.479 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 55.9 m -54.68 -50.72 67.56 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 124.402 1.064 . . . . 70.22 110.61 176.102 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.539 HD22 HD13 ' A' ' 24' ' ' LEU . 95.4 mt -66.47 -32.33 73.62 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 124.413 1.085 . . . . 73.24 111.096 -176.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.497 HD22 ' HA ' ' A' ' 74' ' ' ASN . 58.6 tp -64.83 -48.8 73.06 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 109.715 -0.476 . . . . 73.21 109.715 176.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -57.02 -48.27 78.89 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 124.219 0.95 . . . . 70.33 109.858 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.607 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 92.8 mt -54.2 -44.64 71.8 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.61 0.764 . . . . 75.01 111.208 177.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.529 ' HB2' HD21 ' A' ' 81' ' ' LEU . . . -63.98 -35.61 81.25 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.471 0.708 . . . . 75.12 111.569 179.169 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 80.8 mm-40 -67.45 -32.24 72.95 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 123.162 0.585 . . . . 74.43 111.57 175.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.4 HH11 ' HB2' ' A' ' 26' ' ' GLN . 11.0 mpt_? -86.54 -22.23 26.46 Favored 'General case' 0 N--CA 1.497 1.896 0 C-N-CA 122.811 0.444 . . . . 73.11 111.621 177.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.75 32.16 10.42 Favored Glycine 0 N--CA 1.467 0.725 0 N-CA-C 113.323 0.089 . . . . 71.3 113.323 -176.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.607 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 10.1 mm-40 -83.85 63.68 7.66 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.289 1.036 . . . . 72.52 109.572 175.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 31.2 m95 -62.6 -32.65 73.7 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.03 0.932 . . . . 74.14 110.567 -175.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -62.59 -53.45 54.47 Favored 'General case' 0 C--O 1.246 0.885 0 C-N-CA 124.381 1.072 . . . . 75.44 110.54 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 78.5 mt -64.36 -28.12 69.48 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 116.025 -0.534 . . . . 74.43 110.822 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.7 mt -66.52 -49.44 66.52 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 122.908 0.483 . . . . 74.53 110.622 173.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.8 mt -65.3 -31.96 73.37 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.767 0.827 . . . . 73.53 112.155 -177.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -74.3 -57.06 4.19 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 123.336 0.654 . . . . 73.51 110.264 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -74.9 -10.81 59.84 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.296 1.039 . . . . 73.35 112.599 -177.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -47.94 -46.27 31.96 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.655 1.182 . . . . 74.03 110.805 169.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.8 t -62.05 -45.98 97.51 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.014 0 CA-C-N 115.356 -0.838 . . . . 72.21 110.633 178.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.2 m -61.48 -45.34 94.67 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.529 0.732 . . . . 75.15 111.748 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -68.0 -49.37 61.99 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.987 0.915 . . . . 75.22 111.424 -175.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.9 mt -68.48 -26.96 65.74 Favored 'General case' 0 CA--C 1.553 1.072 0 O-C-N 123.744 0.652 . . . . 73.43 110.7 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -66.7 -45.27 79.29 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.998 0.519 . . . . 74.22 110.674 171.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.0 m -63.25 -38.87 92.87 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 116.085 -0.507 . . . . 72.41 110.658 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.418 HG23 ' CD2' ' A' 1015 ' ' PHE . 43.5 mt -60.81 -55.26 25.8 Favored 'Isoleucine or valine' 0 C--O 1.252 1.216 0 C-N-CA 124.487 1.115 . . . . 72.31 111.198 176.299 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -63.28 -36.19 82.84 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 116.325 -0.398 . . . . 75.34 110.727 -175.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.2 t -77.88 -27.28 49.65 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-O 119.384 -0.341 . . . . 73.24 111.405 -177.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.5 p -75.76 -34.36 28.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 CA-C-N 118.956 0.798 . . . . 75.13 110.616 175.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 35.3 ttm -79.12 -21.63 46.3 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 121.181 0.515 . . . . 75.24 109.764 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -65.7 -33.48 75.98 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.916 1.286 . . . . 74.33 110.667 167.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.472 ' HZ1' ' HA ' ' A' ' 3' ' ' SER . 1.6 tpmt? -75.64 108.03 8.2 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.685 0.794 . . . . 74.34 110.434 -177.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -71.84 117.96 14.09 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.97 0.908 . . . . 75.44 109.263 173.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.3 m -67.37 128.88 93.76 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 123.895 0.878 . . . . 72.32 109.766 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.06 153.08 80.05 Favored 'Trans proline' 0 C--N 1.376 1.987 0 C-N-CA 121.523 1.482 . . . . 73.21 111.007 174.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.59 -47.1 20.27 Favored 'Trans proline' 0 C--N 1.375 1.946 0 C-N-CA 122.716 2.277 . . . . 75.13 111.946 177.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -70.48 86.6 0.34 Allowed Glycine 0 C--N 1.351 1.375 0 O-C-N 123.67 0.606 . . . . 74.52 112.451 177.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.402 HD12 ' HB ' ' A' ' 60' ' ' ILE . 3.9 tp -107.07 105.18 18.3 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.863 0 C-N-CA 124.754 1.221 . . . . 72.45 108.601 179.148 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.0 t -87.46 166.08 15.06 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.996 0.519 . . . . 73.34 110.744 -178.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 64.9 mmt-85 -68.85 -23.53 64.25 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.918 0.887 . . . . 75.5 112.205 -167.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.4 m -67.11 -53.96 25.86 Favored 'General case' 0 C--O 1.248 0.989 0 C-N-CA 123.275 0.63 . . . . 71.43 109.962 176.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.402 ' HB ' HD12 ' A' ' 56' ' ' ILE . 22.7 mt -60.76 -44.9 98.37 Favored 'Isoleucine or valine' 0 C--N 1.356 0.885 0 CA-C-N 114.937 -1.029 . . . . 75.21 109.179 179.303 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -62.46 -41.23 98.62 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 124.289 0.993 . . . . 71.4 111.277 -177.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -64.4 -52.7 56.88 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 123.414 0.446 . . . . 51.4 110.186 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 72.9 mtm -60.41 -51.33 69.94 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 124.03 0.831 . . . . 73.32 111.25 -177.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 37.5 t -62.85 -48.98 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 124.182 0.993 . . . . 71.44 111.372 -177.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.94 -29.33 70.71 Favored 'General case' 0 N--CA 1.482 1.147 0 O-C-N 123.536 0.523 . . . . 64.31 111.009 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.25 -46.81 89.83 Favored Glycine 0 C--N 1.348 1.229 0 O-C-N 123.969 0.793 . . . . 73.31 111.732 173.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -69.83 -30.29 67.75 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.598 0.759 . . . . 71.02 110.758 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.469 HG12 ' HE2' ' A' 1019 ' ' MET . 16.1 mt -64.76 -56.02 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 124.956 1.302 . . . . 64.51 109.838 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -69.84 -31.33 69.14 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 123.411 0.445 . . . . 74.22 110.824 -178.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -59.34 -59.3 5.68 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 123.951 0.782 . . . . 74.53 109.43 174.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.468 ' OG1' HG23 ' A' ' 14' ' ' ILE . 14.0 t -66.37 -43.97 84.45 Favored 'General case' 0 C--O 1.213 -0.839 0 CA-C-O 118.687 -0.673 . . . . 74.25 111.346 -173.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.45 HD22 ' SD ' ' A' 1019 ' ' MET . 90.1 mt -63.52 -34.14 77.13 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.124 0.57 . . . . 74.41 111.593 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -66.57 -55.8 13.73 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.06 0.225 . . . . 71.52 110.657 175.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.497 ' HA ' HD22 ' A' ' 22' ' ' LEU . 67.1 m-80 -61.74 -33.95 74.96 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 123.438 0.461 . . . . 65.13 111.112 -177.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.42 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 39.3 tt0 -78.36 -32.87 49.2 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.436 1.094 . . . . 72.53 111.442 -177.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -66.95 -43.39 83.29 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 109.322 -0.622 . . . . 70.54 109.322 174.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 34.0 mt -65.91 -38.6 89.11 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-N 115.936 -0.575 . . . . 73.53 110.847 174.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.42 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 16.4 mt -59.24 -44.62 92.35 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.626 0.77 . . . . 71.04 110.3 172.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.471 ' HA ' HD22 ' A' 1009 ' ' LEU . 38.7 ttmt -66.07 -44.89 83.18 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 123.768 0.668 . . . . 74.23 110.201 -173.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.76 -45.54 74.55 Favored Glycine 0 C--N 1.352 1.423 0 O-C-N 123.946 0.779 . . . . 52.13 112.935 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.529 HD21 ' HB2' ' A' ' 25' ' ' ALA . 10.1 tt -64.7 -48.14 75.76 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.525 0.73 . . . . 75.02 110.527 -178.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.2 mt -74.57 -23.17 58.72 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.894 0.877 . . . . 75.22 111.504 -178.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.408 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 1.0 OUTLIER -67.51 -50.76 57.37 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 108.074 -1.084 . . . . 65.15 108.074 172.758 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -65.86 -31.41 72.34 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 124.147 0.905 . . . . 74.11 110.902 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -64.37 -54.77 27.64 Favored 'General case' 0 C--N 1.352 0.683 0 N-CA-C 109.316 -0.624 . . . . 74.52 109.316 176.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.501 HD12 ' HB3' ' A' 1005 ' ' LEU . 90.7 mt -64.47 -33.02 74.92 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 123.674 0.609 . . . . 74.3 111.474 179.22 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -63.53 -47.23 82.49 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.737 0.815 . . . . 65.13 110.125 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.52 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 36.9 tt0 -64.04 -56.9 11.66 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 115.153 -0.93 . . . . 71.44 109.844 177.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 96.3 mt -50.99 -40.81 58.85 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 124.393 1.077 . . . . 72.42 111.844 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.3 m -61.29 -49.52 76.72 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 124.028 0.83 . . . . 73.21 109.99 175.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.6 t -65.71 -24.16 66.92 Favored 'General case' 0 CA--C 1.557 1.233 0 O-C-N 124.125 0.891 . . . . 74.0 112.166 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 69.8 mt -81.41 -49.86 10.15 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 122.929 0.492 . . . . 73.44 110.365 -179.314 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 93.4 mt -69.68 -42.82 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 124.401 1.08 . . . . 74.21 110.804 -177.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -150.34 102.44 0.23 Allowed Glycine 0 C--N 1.339 0.709 0 N-CA-C 110.24 -1.144 . . . . 73.51 110.24 177.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -51.99 -33.51 38.5 Favored 'General case' 0 N--CA 1.496 1.847 0 C-N-CA 124.548 1.139 . . . . 72.53 111.397 -172.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.1 p -159.75 75.91 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.555 1.145 0 CA-C-N 114.445 -1.252 . . . . 71.23 109.005 174.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -73.86 -46.37 45.25 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 107.75 -1.204 . . . . 73.32 107.75 174.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -111.13 153.98 24.95 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.067 0.947 . . . . 74.53 108.613 172.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -72.36 148.01 45.71 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.297 0.639 . . . . 72.5 110.521 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 77.39 -163.69 51.92 Favored Glycine 0 C--N 1.345 1.041 0 O-C-N 123.383 0.427 . . . . 75.12 113.845 173.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -85.69 36.96 0.54 Allowed 'Trans proline' 0 C--N 1.366 1.47 0 C-N-CA 123.548 2.832 . . . . 75.01 113.837 -175.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.6 m -64.45 107.96 1.51 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.258 0.623 . . . . 73.24 110.674 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.99 84.07 0.97 Allowed 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 121.393 0.616 . . . . 63.12 109.415 175.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 145.98 50.19 0.03 OUTLIER Glycine 0 C--N 1.343 0.926 0 CA-C-N 114.894 -1.048 . . . . 62.34 111.165 -174.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 64.8 mt -80.85 60.0 3.93 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.223 1.009 . . . . 75.13 109.875 177.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 27.4 m -136.81 133.97 19.08 Favored Pre-proline 0 CA--C 1.546 0.802 0 N-CA-C 107.533 -1.284 . . . . 72.0 107.533 -177.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -84.85 145.9 10.24 Favored 'Trans proline' 0 C--N 1.361 1.194 0 C-N-CA 121.823 1.682 . . . . 74.02 111.309 174.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.81 175.45 7.25 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 122.561 0.344 . . . . 73.43 110.921 176.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.43 2.49 84.46 Favored Glycine 0 CA--C 1.531 1.039 0 CA-C-N 116.345 -0.389 . . . . 73.14 113.344 -176.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 40.2 p -90.72 -155.53 0.39 Allowed 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 123.88 0.872 . . . . 75.32 109.742 177.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -152.6 139.26 6.87 Favored Glycine 0 C--N 1.353 1.524 0 CA-C-N 118.346 0.521 . . . . 73.33 113.416 -177.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 81.04 -66.86 3.7 Favored Glycine 0 C--N 1.35 1.354 0 C-N-CA 123.241 0.448 . . . . 50.4 112.665 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 45.2 pt -57.09 -42.18 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.697 1.199 . . . . 72.1 111.858 -178.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -29.44 63.02 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.46 -0.791 . . . . 73.21 111.564 -174.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.65 -43.46 51.94 Favored Glycine 0 C--N 1.349 1.253 0 N-CA-C 111.591 -0.603 . . . . 72.12 111.591 177.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 46.4 ttp -58.57 -51.3 70.48 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.163 0.985 . . . . 74.53 110.638 176.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 40.1 p -66.91 -46.02 76.13 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 115.672 -0.694 . . . . 73.13 111.362 -178.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 48.8 m -56.69 -49.76 74.16 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 122.887 0.475 . . . . 72.41 111.356 179.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 60.8 mtt-85 -58.55 -54.9 41.84 Favored 'General case' 0 C--N 1.354 0.761 0 O-C-N 124.191 0.932 . . . . 75.32 110.693 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1005 ' ' LEU . . . . . 0.504 ' HA ' ' HB3' ' A' 1008 ' ' TRP . 63.2 mt -70.28 -29.34 66.08 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 124.048 0.842 . . . . 74.44 112.955 -173.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 41.3 p -72.51 -47.15 50.77 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 118.66 0.664 . . . . 61.44 109.836 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 48.6 ttt85 -60.0 -34.97 74.05 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.666 0.786 . . . . 74.4 110.501 173.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1008 ' ' TRP . . . . . 0.504 ' HB3' ' HA ' ' A' 1005 ' ' LEU . 1.0 OUTLIER -66.08 -48.58 70.52 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 124.815 1.246 . . . . 75.14 109.843 178.753 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1009 ' ' LEU . . . . . 0.471 HD22 ' HA ' ' A' ' 79' ' ' LYS . 88.6 mt -68.13 -33.29 74.22 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 109.493 -0.558 . . . . 73.03 109.493 -176.159 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 95.3 m -60.77 -51.23 70.24 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.16 -1.382 . . . . 73.13 110.075 173.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -68.03 -29.31 68.27 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.612 0.765 . . . . 74.11 110.906 -178.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1012 ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' 1008 ' ' TRP . 20.0 mt -66.53 -43.92 83.86 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 109.305 -0.628 . . . . 72.21 109.305 175.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 19.6 t70 -72.59 -40.9 66.2 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 114.974 -1.012 . . . . 71.42 111.462 -175.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 18.1 m120 -72.24 -33.63 67.67 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.998 0.519 . . . . 73.42 110.556 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1015 ' ' PHE . . . . . 0.418 ' CD2' HG23 ' A' ' 44' ' ' ILE . 26.7 t80 -60.25 -60.46 3.78 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 109.004 -0.739 . . . . 73.3 109.004 170.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1016 ' ' GLU . . . . . 0.415 ' HG3' HD21 ' A' ' 72' ' ' LEU . 54.6 tt0 -50.28 -43.59 53.44 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 124.811 1.319 . . . . 75.44 112.088 -178.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1017 ' ' ALA . . . . . 0.422 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -62.94 -61.68 2.23 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.764 0.665 . . . . 75.2 110.711 179.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -62.27 -36.27 81.54 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.891 0.876 . . . . 74.31 112.536 -175.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1019 ' ' MET . . . . . 0.479 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.5 OUTLIER -79.8 -27.32 40.35 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 110.183 -0.303 . . . . 75.22 110.183 -176.075 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -72.77 -26.86 61.69 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 122.346 0.258 . . . . 73.44 110.614 167.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1021 ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' 1017 ' ' ALA . 95.2 mt -76.19 -19.9 58.0 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.34 0.656 . . . . 72.02 111.713 175.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1022 ' ' LEU . . . . . 0.479 ' HG ' ' HA ' ' A' 1019 ' ' MET . 94.4 mt -51.35 109.25 1.29 Allowed Pre-proline 0 N--CA 1.494 1.733 0 CA-C-O 119.317 -0.373 . . . . 73.44 110.526 169.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -90.58 30.54 0.36 Allowed 'Trans proline' 0 C--N 1.378 2.098 0 C-N-CA 123.081 2.521 . . . . 72.35 112.31 -175.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -128.1 -46.98 1.36 Allowed 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.121 0.968 . . . . 54.31 109.556 -175.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1025 ' ' VAL . . . . . 0.438 HG22 ' HZ ' ' A' ' 7' ' ' PHE . 17.0 m . . . . . 0 C--O 1.252 1.208 0 C-N-CA 124.421 1.088 . . . . 75.2 109.977 -177.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 ppp? . . . . . 0 N--CA 1.476 0.848 0 CA-C-O 119.612 -0.232 . . . . 74.23 111.472 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.2 p -66.05 -59.85 3.4 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.115 0.566 . . . . 71.44 111.39 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 m -64.59 -25.88 68.16 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.816 0.846 . . . . 71.44 110.971 179.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 87.3 m -63.96 -55.85 19.48 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.317 1.047 . . . . 75.53 110.488 175.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 71.9 t -59.36 -42.37 87.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 CA-C-N 115.883 -0.599 . . . . 73.42 110.242 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.563 ' HB3' HH11 ' A' ' 10' ' ' ARG . 44.8 mt-10 -56.51 -53.23 59.99 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.749 0.419 . . . . 72.01 111.214 176.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -62.56 -52.9 61.61 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.077 0.951 . . . . 74.14 110.967 -173.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.527 HD11 HG12 ' A' ' 60' ' ' ILE . 53.2 mt -69.73 -38.65 76.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 123.541 0.736 . . . . 72.42 111.356 -174.149 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -75.36 -26.57 58.64 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 122.787 0.435 . . . . 65.14 111.544 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.563 HH11 ' HB3' ' A' ' 6' ' ' GLU . 43.1 mtt85 -72.29 -47.11 52.51 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 119.191 -0.433 . . . . 65.42 109.937 172.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -60.08 -37.78 80.92 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 122.554 0.342 . . . . 72.12 111.115 174.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.437 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 4.7 tp-100 -56.19 -53.95 51.06 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.161 0.984 . . . . 65.3 109.405 174.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -59.21 -42.37 90.8 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 124.145 0.903 . . . . 73.4 111.274 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 10' ' ' ARG . 73.1 mt -66.11 -42.15 90.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 123.502 0.721 . . . . 74.43 110.456 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.17 -43.95 93.55 Favored 'General case' 0 C--O 1.245 0.853 0 C-N-CA 123.217 0.607 . . . . 71.25 111.023 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 91.5 mt -66.74 -47.19 73.03 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.145 -0.934 . . . . 73.21 110.578 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.7 mt -60.18 -50.91 71.81 Favored 'General case' 0 C--O 1.212 -0.912 0 C-N-CA 123.34 0.656 . . . . 74.32 110.056 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.5 t -60.33 -39.28 86.51 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.439 0.696 . . . . 64.21 111.187 -177.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.417 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 9.2 tt0 -64.33 -47.79 78.04 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.582 0.753 . . . . 73.23 110.824 177.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.47 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 68.0 m -60.49 -54.31 47.03 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 115.475 -0.784 . . . . 72.23 110.094 179.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.543 HD21 ' HA ' ' A' ' 33' ' ' LEU . 83.9 mt -56.04 -34.35 65.81 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.247 1.419 . . . . 75.25 111.401 178.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.615 HD21 ' HA ' ' A' ' 74' ' ' ASN . 52.2 tp -63.89 -53.72 46.11 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 123.812 0.695 . . . . 72.55 110.211 177.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 19' ' ' GLN . 16.9 mm-40 -56.05 -43.22 77.69 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 124.15 0.906 . . . . 72.01 110.63 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.494 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 76.7 mt -60.93 -48.04 83.65 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-N 114.136 -1.393 . . . . 73.52 110.667 177.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.461 ' HB3' HD22 ' A' ' 81' ' ' LEU . . . -63.17 -38.34 90.8 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.504 0.722 . . . . 74.34 111.38 -178.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -66.54 -31.39 72.07 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.53 0.732 . . . . 73.45 110.419 177.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 65.8 mtp85 -95.43 -6.33 41.08 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 112.738 0.644 . . . . 75.12 112.738 177.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.36 27.97 41.85 Favored Glycine 0 CA--C 1.537 1.46 0 N-CA-C 115.218 0.847 . . . . 63.12 115.218 175.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.494 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 25.4 mm-40 -89.74 64.86 6.64 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.077 0.951 . . . . 74.32 110.461 178.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.412 ' HH2' HD23 ' A' ' 81' ' ' LEU . 32.1 m95 -63.35 -27.97 69.68 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.985 0.914 . . . . 73.23 112.105 -173.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.22 -45.92 91.55 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.295 1.038 . . . . 71.13 110.93 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.469 HD11 HD22 ' A' ' 24' ' ' LEU . 80.8 mt -72.81 -24.66 60.94 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 115.56 -0.746 . . . . 72.31 111.036 -179.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.543 ' HA ' HD21 ' A' ' 21' ' ' LEU . 11.2 mp -66.05 -46.25 78.5 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 110.11 -0.33 . . . . 75.11 110.11 170.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.5 mt -70.54 -29.98 66.59 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.371 0.668 . . . . 73.23 111.095 -178.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -69.62 -52.19 28.2 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.958 0.903 . . . . 74.13 110.573 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.525 ' HB2' HD22 ' A' ' 21' ' ' LEU . 16.2 mt-30 -87.44 -9.2 55.29 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 114.456 -1.247 . . . . 72.4 111.853 -174.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.442 ' HG3' ' HE3' ' A' 1008 ' ' TRP . 32.2 tt0 -46.15 -58.6 3.5 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.626 1.17 . . . . 64.51 112.132 174.293 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.5 p -54.55 -41.97 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 O-C-N 124.188 0.93 . . . . 72.13 110.928 -178.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.3 m -67.21 -47.91 69.43 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.594 0.758 . . . . 74.23 111.251 -177.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -63.3 -47.24 83.12 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.105 0.962 . . . . 74.53 111.751 -178.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -66.72 -38.56 86.95 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.226 0.61 . . . . 75.32 110.68 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.571 ' HA ' ' HG2' ' A' ' 45' ' ' GLU . 98.5 mt-30 -72.29 -28.3 63.01 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 116.171 -0.468 . . . . 63.34 111.298 177.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.9 m -67.87 -42.19 81.68 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-O 121.099 0.475 . . . . 71.12 109.999 173.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.447 HG21 ' CD2' ' A' 1015 ' ' PHE . 35.6 mt -57.04 -55.96 17.45 Favored 'Isoleucine or valine' 0 C--O 1.244 0.8 0 C-N-CA 124.721 1.209 . . . . 74.52 110.863 176.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.571 ' HG2' ' HA ' ' A' ' 42' ' ' GLN . 12.7 pt-20 -69.03 -33.77 74.15 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.682 -0.69 . . . . 75.02 111.118 -174.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.453 ' O ' ' HG2' ' A' ' 50' ' ' LYS . 9.7 t -74.83 -30.53 61.4 Favored 'General case' 0 C--N 1.361 1.076 0 CA-C-O 118.958 -0.544 . . . . 74.4 111.482 -178.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.9 p -76.05 -38.03 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 CA-C-N 118.831 0.742 . . . . 74.52 110.38 175.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 51.8 ttm -73.08 -20.2 61.01 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.789 -0.641 . . . . 65.33 109.753 177.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -70.58 -35.47 73.05 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-N 115.668 -0.696 . . . . 71.01 110.025 171.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 46' ' ' THR . 1.4 mmmp? -78.4 85.92 4.48 Favored 'General case' 0 C--N 1.359 0.987 0 N-CA-C 109.857 -0.423 . . . . 75.31 109.857 -179.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -72.64 103.43 3.58 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.354 -0.839 . . . . 74.42 109.113 175.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.2 p -92.62 154.37 42.41 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 124.056 0.942 . . . . 75.4 109.964 177.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_endo -57.87 155.08 34.58 Favored 'Trans proline' 0 C--N 1.38 2.207 0 C-N-CA 122.666 2.244 . . . . 74.32 112.679 178.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -60.93 -46.03 17.76 Favored 'Trans proline' 0 C--N 1.378 2.101 0 C-N-CA 123.439 2.76 . . . . 74.24 112.25 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -72.38 78.59 0.69 Allowed Glycine 0 C--N 1.348 1.245 0 CA-C-N 115.087 -0.961 . . . . 73.03 112.442 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 13.4 mm -90.5 124.96 43.34 Favored 'Isoleucine or valine' 0 C--O 1.241 0.65 0 C-N-CA 124.076 0.95 . . . . 73.44 109.502 177.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.8 t -60.72 155.29 19.52 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.94 0.896 . . . . 62.3 111.507 176.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -56.33 -39.73 73.3 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.198 0.999 . . . . 74.54 112.536 -173.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.9 p -56.1 -57.71 11.03 Favored 'General case' 0 C--O 1.25 1.118 0 O-C-N 123.589 0.556 . . . . 74.13 111.093 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.527 HG12 HD11 ' A' ' 8' ' ' ILE . 68.9 mt -60.65 -45.19 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-N 115.565 -0.743 . . . . 72.0 110.04 178.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -58.92 -43.44 91.11 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 123.667 0.605 . . . . 71.13 111.507 -175.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -74.32 -43.51 56.41 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 122.701 0.401 . . . . 62.04 111.727 -178.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 71.5 mtm -64.21 -54.52 32.26 Favored 'General case' 0 N--CA 1.483 1.214 0 O-C-N 123.228 0.33 . . . . 72.22 110.147 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 37.8 t -57.89 -43.76 85.14 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.572 0 C-N-CA 123.972 0.909 . . . . 71.35 111.165 177.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.12 -33.64 74.86 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-N 117.944 0.338 . . . . 73.3 111.375 177.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.27 -48.47 82.39 Favored Glycine 0 C--N 1.348 1.24 0 O-C-N 123.95 0.781 . . . . 61.31 111.461 175.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -68.93 -30.68 69.18 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.31 0.644 . . . . 71.1 111.442 178.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.493 HG12 ' HE3' ' A' 1019 ' ' MET . 13.5 mt -66.88 -57.59 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.616 1.167 . . . . 74.05 110.263 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -66.39 -33.86 76.66 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 122.496 0.319 . . . . 75.4 111.029 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -60.45 -54.69 42.58 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 123.759 0.662 . . . . 74.14 110.127 175.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.47 ' OG1' HG21 ' A' ' 14' ' ' ILE . 11.3 t -69.57 -35.79 75.69 Favored 'General case' 0 C--O 1.211 -0.947 0 CA-C-O 118.859 -0.591 . . . . 74.2 111.575 -175.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.46 HD21 ' SD ' ' A' 1019 ' ' MET . 69.4 mt -69.57 -36.14 76.01 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.03 0.532 . . . . 74.41 111.465 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -72.8 -47.56 45.56 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.014 0.526 . . . . 73.13 110.585 177.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.615 ' HA ' HD21 ' A' ' 22' ' ' LEU . 93.1 m-20 -59.38 -41.68 89.93 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.343 -0.844 . . . . 73.42 110.312 176.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.479 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 41.0 tt0 -71.26 -35.49 71.4 Favored 'General case' 0 C--O 1.214 -0.804 0 CA-C-N 115.366 -0.834 . . . . 63.13 110.619 179.294 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -58.66 -50.48 73.7 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.271 0.628 . . . . 74.45 110.07 177.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.25 -36.19 81.11 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 114.71 -1.132 . . . . 73.14 110.637 177.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.469 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 8.1 mt -56.52 -63.84 1.06 Allowed 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.511 0.724 . . . . 73.22 110.771 175.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.576 ' HB3' HD13 ' A' 1012 ' ' LEU . 34.3 pttt -73.26 -22.08 60.47 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 118.91 -0.567 . . . . 74.51 112.4 -172.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -69.29 -50.48 32.71 Favored Glycine 0 C--N 1.346 1.139 0 N-CA-C 111.655 -0.578 . . . . 72.15 111.655 172.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.461 HD22 ' HB3' ' A' ' 25' ' ' ALA . 8.3 tt -66.14 -38.9 89.26 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.054 0.941 . . . . 72.54 110.991 178.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.406 HD13 ' HE1' ' A' 1008 ' ' TRP . 28.4 mt -73.86 -29.43 62.1 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.117 0.967 . . . . 70.32 111.016 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.89 -48.51 71.25 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 108.409 -0.96 . . . . 75.35 108.409 172.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -66.66 -29.59 69.65 Favored 'General case' 0 N--CA 1.485 1.31 0 O-C-N 123.728 0.643 . . . . 75.42 111.275 178.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.444 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 19.5 tpt180 -67.6 -55.85 11.76 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 109.255 -0.646 . . . . 75.12 109.255 177.26 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.451 HD12 ' HB3' ' A' 1005 ' ' LEU . 96.1 mt -64.91 -26.78 68.46 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.132 0.573 . . . . 75.23 111.463 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -62.26 -52.83 62.14 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.594 1.158 . . . . 72.44 109.611 173.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.517 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 35.4 tt0 -58.89 -54.31 48.58 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 114.691 -1.14 . . . . 74.33 110.399 176.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 98.1 mt -56.55 -44.31 80.78 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.588 1.155 . . . . 71.34 111.92 -176.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 88.7 p -70.07 -32.04 69.93 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 122.479 0.312 . . . . 60.23 110.312 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.494 ' HA ' ' HA ' ' A' ' 95' ' ' GLN . 38.7 t -68.48 -32.63 72.76 Favored 'General case' 0 CA--C 1.552 1.032 0 O-C-N 123.643 0.589 . . . . 64.23 111.143 172.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 77.7 mt -72.36 -45.91 57.76 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.265 0.626 . . . . 72.45 110.334 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.468 HD13 HG23 ' A' ' 106' ' ' VAL . 83.2 mt -69.82 -42.56 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 123.974 0.91 . . . . 75.42 109.906 -179.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -151.08 -91.71 0.09 OUTLIER Glycine 0 C--N 1.337 0.585 0 N-CA-C 111.036 -0.826 . . . . 51.42 111.036 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.494 ' HA ' ' HA ' ' A' ' 91' ' ' SER . 0.0 OUTLIER -160.92 141.89 11.64 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 124.117 0.967 . . . . 74.34 109.273 178.002 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.0 p -85.22 129.91 37.04 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 C-N-CA 123.193 0.597 . . . . 74.22 110.092 177.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 23.0 tp -78.5 86.17 4.54 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 121.337 0.589 . . . . 63.45 109.507 178.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 26.6 p90 -57.98 -42.82 85.89 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.983 1.313 . . . . 73.24 111.51 175.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -83.54 98.67 9.69 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 121.716 0.77 . . . . 55.12 109.176 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.71 67.13 1.57 Allowed Glycine 0 CA--C 1.534 1.275 0 CA-C-N 115.379 -0.828 . . . . 52.24 111.785 -173.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -73.25 110.76 3.12 Favored 'Trans proline' 0 C--N 1.377 2.052 0 C-N-CA 122.6 2.2 . . . . 70.22 111.479 -178.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.2 p -142.14 168.24 20.21 Favored 'General case' 0 C--O 1.244 0.795 0 C-N-CA 124.129 0.971 . . . . 63.34 109.966 -175.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.22 76.11 4.74 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 121.776 0.798 . . . . 64.33 110.892 -177.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -156.97 20.84 0.43 Allowed Glycine 0 CA--C 1.519 0.334 0 CA-C-N 114.23 -1.35 . . . . 75.04 110.338 174.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 73.6 mt -72.06 -46.36 57.25 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.58 1.152 . . . . 74.15 109.751 -177.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.468 HG23 HD13 ' A' ' 93' ' ' ILE . 52.6 t -136.64 84.93 26.02 Favored Pre-proline 0 CA--C 1.553 1.065 0 N-CA-C 108.257 -1.016 . . . . 73.32 108.257 173.077 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -77.99 -23.42 9.25 Favored 'Trans proline' 0 C--N 1.373 1.859 0 C-N-CA 122.276 1.984 . . . . 75.2 111.611 171.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -160.83 122.39 3.01 Favored 'General case' 0 C--O 1.243 0.763 0 C-N-CA 124.659 1.184 . . . . 75.22 109.349 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -126.08 -13.29 3.3 Favored Glycine 0 CA--C 1.526 0.73 0 CA-C-N 115.866 -0.606 . . . . 75.21 112.301 172.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 27.9 m 67.95 99.42 0.05 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.594 1.558 . . . . 72.03 111.064 -175.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.456 ' O ' ' HG2' ' A' ' 114' ' ' GLU . . . 160.29 -160.98 32.21 Favored Glycine 0 C--N 1.343 0.957 0 CA-C-N 116.139 -0.482 . . . . 72.22 112.142 177.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -77.43 -15.79 81.06 Favored Glycine 0 C--N 1.346 1.113 0 CA-C-N 116.769 0.284 . . . . 75.44 112.516 171.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 32.5 pt -64.47 -18.8 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 124.032 0.933 . . . . 74.03 112.437 177.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 111' ' ' GLY . 10.7 mm-40 -57.4 -52.68 64.39 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.341 0.656 . . . . 75.42 110.02 177.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -59.98 -46.64 93.79 Favored Glycine 0 C--N 1.351 1.373 0 CA-C-N 114.51 -1.223 . . . . 71.22 112.29 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 47.9 ttp -60.71 -50.75 72.21 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.106 0.563 . . . . 74.51 111.878 -177.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 41.3 p -66.26 -51.5 56.84 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 122.768 0.427 . . . . 75.52 110.855 -176.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 98.9 m -53.25 -51.05 63.47 Favored 'General case' 0 C--O 1.251 1.159 0 C-N-CA 123.597 0.759 . . . . 74.43 111.484 178.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 79.0 mtt-85 -58.73 -59.1 5.94 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.325 -0.852 . . . . 72.34 111.276 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1005 ' ' LEU . . . . . 0.546 ' O ' ' HG ' ' A' 1009 ' ' LEU . 56.2 mt -63.25 -33.39 75.4 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 112.529 0.566 . . . . 74.41 112.529 -174.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 38.4 p -68.49 -50.11 54.74 Favored 'General case' 0 N--CA 1.483 1.22 0 CA-C-N 118.35 0.523 . . . . 74.23 111.029 177.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -66.62 -25.59 66.67 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.034 0.445 . . . . 74.25 110.763 177.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1008 ' ' TRP . . . . . 0.542 ' HH2' HD13 ' A' ' 21' ' ' LEU . 1.3 t-105 -67.53 -46.58 72.37 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.928 1.291 . . . . 74.2 110.067 174.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1009 ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' 1005 ' ' LEU . 82.3 mt -67.79 -35.57 78.88 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.953 -0.758 . . . . 72.15 108.953 -177.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 93.3 m -59.28 -48.06 83.05 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 114.307 -1.315 . . . . 71.33 110.864 172.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -69.34 -28.31 66.12 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.513 0.725 . . . . 63.12 111.985 -179.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1012 ' ' LEU . . . . . 0.576 HD13 ' HB3' ' A' ' 79' ' ' LYS . 22.5 mt -73.96 -42.95 59.75 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.07 0.548 . . . . 55.25 110.118 178.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 33.2 t70 -67.32 -39.48 85.86 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 115.503 -0.771 . . . . 75.21 110.099 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 44.4 t30 -61.68 -50.09 73.88 Favored 'General case' 0 C--O 1.25 1.098 0 C-N-CA 123.967 0.907 . . . . 72.31 110.221 177.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1015 ' ' PHE . . . . . 0.447 ' CD2' HG21 ' A' ' 44' ' ' ILE . 25.7 t80 -54.52 -63.22 1.22 Allowed 'General case' 0 C--N 1.356 0.89 0 O-C-N 124.49 1.119 . . . . 75.51 110.017 176.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1016 ' ' GLU . . . . . 0.439 ' HG3' HD23 ' A' ' 72' ' ' LEU . 39.0 tt0 -49.76 -49.38 48.48 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 124.833 1.333 . . . . 73.14 112.248 -175.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -59.42 -60.58 3.62 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 124.061 0.851 . . . . 74.11 111.123 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -69.98 -29.7 66.86 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 112.134 0.42 . . . . 74.25 112.134 -172.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1019 ' ' MET . . . . . 0.577 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.2 OUTLIER -78.45 -28.17 46.57 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 110.168 -0.308 . . . . 73.1 110.168 -178.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -74.81 -27.29 60.24 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 110.03 -0.359 . . . . 61.5 110.03 169.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 96.8 mt -81.37 -13.55 58.2 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.493 0.717 . . . . 72.32 111.962 176.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1022 ' ' LEU . . . . . 0.577 ' HG ' ' HA ' ' A' 1019 ' ' MET . 74.9 mt -49.9 111.41 2.07 Favored Pre-proline 0 N--CA 1.495 1.823 0 C-N-CA 123.238 0.615 . . . . 75.35 110.229 167.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -84.26 -4.73 10.29 Favored 'Trans proline' 0 C--N 1.372 1.784 0 C-N-CA 122.337 2.024 . . . . 74.32 113.461 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -76.23 -62.73 1.51 Allowed 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.088 0.555 . . . . 74.35 110.804 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1025 ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.257 1.497 0 C-N-CA 124.097 0.959 . . . . 72.41 108.523 -178.378 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.441 ' N ' ' SD ' ' A' ' 1' ' ' MET . 1.8 mpp? . . . . . 0 N--CA 1.483 1.206 0 N-CA-C 109.1 -0.704 . . . . 74.32 109.1 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.6 m -55.06 -46.75 75.42 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.174 0.99 . . . . 73.43 112.8 -167.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.3 m -59.29 -46.4 88.67 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.779 0.432 . . . . 73.13 110.673 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 96.0 m -63.05 -52.35 63.17 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.391 1.076 . . . . 74.0 112.333 -178.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.1 t -64.4 -46.7 92.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 123.611 0.765 . . . . 70.43 110.088 -174.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -55.96 -56.0 26.01 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 123.435 0.459 . . . . 74.15 111.07 174.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.433 ' CZ ' HG21 ' A' 1025 ' ' VAL . 8.1 t80 -58.21 -58.84 6.69 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 123.889 0.876 . . . . 74.5 111.775 -172.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.532 HD12 HG12 ' A' ' 60' ' ' ILE . 69.3 mt -62.52 -52.79 55.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 123.91 0.884 . . . . 73.1 111.237 -177.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -68.43 -30.03 68.83 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 112.422 0.526 . . . . 71.41 112.422 -171.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.49 HH12 ' HB3' ' A' ' 50' ' ' LYS . 84.1 mtm180 -76.31 -47.04 25.0 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-O 119.053 -0.499 . . . . 65.55 110.387 176.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 51.4 m95 -60.67 -37.8 82.77 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-N 118.152 0.433 . . . . 75.45 111.336 176.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -62.21 -47.68 83.35 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.46 1.104 . . . . 64.41 109.834 174.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -60.01 -41.74 92.78 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 124.059 0.849 . . . . 75.11 111.118 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 10' ' ' ARG . 96.3 mt -67.79 -40.17 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.421 1.088 . . . . 74.54 110.35 -179.329 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.16 -47.0 81.59 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.193 0.597 . . . . 72.21 111.187 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.3 mt -69.05 -36.91 78.2 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 114.978 -1.01 . . . . 74.41 111.089 -178.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.9 mt -65.23 -58.42 6.01 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.343 0.657 . . . . 72.4 109.648 177.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.0 p -55.46 -37.82 68.26 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.423 0.689 . . . . 63.42 111.573 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -60.76 -54.43 45.3 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.821 0.849 . . . . 71.54 110.941 175.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.3 m -57.18 -54.84 42.26 Favored 'General case' 0 N--CA 1.481 1.122 0 O-C-N 123.701 0.626 . . . . 73.31 110.658 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.63 HD12 ' HH2' ' A' 1008 ' ' TRP . 35.9 mt -52.6 -37.46 58.18 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.813 1.645 . . . . 74.01 112.213 177.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' A' ' 74' ' ' ASN . 28.7 tp -65.72 -52.14 53.61 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.238 0.615 . . . . 73.55 110.979 177.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -59.85 -39.99 87.03 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 121.846 0.831 . . . . 72.41 110.592 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.517 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 95.5 mt -66.71 -41.14 88.44 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 114.116 -1.402 . . . . 74.42 110.871 177.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.429 ' HB3' HD23 ' A' ' 33' ' ' LEU . . . -64.85 -34.34 78.15 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.115 0.566 . . . . 64.45 111.143 178.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -66.76 -37.4 84.52 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.692 0.797 . . . . 75.43 110.744 174.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.1 mmp_? -79.25 -17.25 55.1 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 112.642 0.608 . . . . 75.24 112.642 174.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.0 17.06 61.93 Favored Glycine 0 C--N 1.343 0.951 0 O-C-N 123.313 0.383 . . . . 51.23 113.302 -177.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.517 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 28.2 mm-40 -72.6 70.62 0.93 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.686 0.794 . . . . 64.42 111.1 174.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.493 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 24.7 m95 -67.48 -37.26 82.63 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.745 -0.661 . . . . 74.52 111.205 -173.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -59.37 -39.44 83.3 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.515 0.726 . . . . 74.21 111.728 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.405 HD11 HD21 ' A' ' 24' ' ' LEU . 75.2 mt -69.52 -32.48 71.35 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.049 -0.523 . . . . 74.2 111.224 178.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.429 HD23 ' HB3' ' A' ' 25' ' ' ALA . 11.2 mp -65.37 -43.36 91.01 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 122.395 0.278 . . . . 71.21 110.624 171.359 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 30' ' ' TRP . 53.5 mt -74.34 -22.47 59.22 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.668 0.787 . . . . 74.35 111.433 -176.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -79.7 -57.17 3.8 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.658 0.783 . . . . 75.31 109.797 176.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.451 ' HB2' HD21 ' A' ' 21' ' ' LEU . 13.7 mt-30 -73.54 -8.82 57.48 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.94 1.296 . . . . 71.11 111.667 -179.431 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.422 ' HA ' ' CZ3' ' A' 1008 ' ' TRP . 46.2 tt0 -44.49 -56.49 4.26 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.672 1.189 . . . . 74.11 112.408 173.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.5 p -59.53 -43.09 90.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-N 115.35 -0.841 . . . . 72.22 110.772 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.3 m -61.66 -45.46 93.94 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.307 0.643 . . . . 54.51 111.75 -177.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -71.13 -49.92 39.01 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.089 -0.96 . . . . 73.24 110.85 -174.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.5 mt -69.2 -29.64 67.66 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 115.968 -0.56 . . . . 73.41 111.825 -177.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -73.58 -39.27 64.78 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.498 0.719 . . . . 73.42 110.179 176.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.1 m -64.86 -40.2 94.77 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 122.655 0.382 . . . . 75.13 110.956 175.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.7 mt -57.59 -50.27 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 124.658 1.183 . . . . 72.32 110.444 173.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -56.19 -56.38 21.68 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 114.72 -1.127 . . . . 72.14 110.844 -179.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.464 HG23 ' HD2' ' A' ' 10' ' ' ARG . 8.0 t -64.42 -38.55 91.41 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 115.932 -0.576 . . . . 75.24 112.067 -175.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.5 p -73.42 -36.45 48.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 CA-C-O 120.709 0.29 . . . . 73.22 111.229 -175.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 54.2 ttm -78.61 -25.73 45.22 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 116.295 -0.412 . . . . 73.32 110.376 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -75.99 -37.67 58.25 Favored 'General case' 0 CA--C 1.553 1.09 0 N-CA-C 109.432 -0.581 . . . . 73.02 109.432 177.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.49 ' HB3' HH12 ' A' ' 10' ' ' ARG . 3.3 tmtm? -111.04 88.98 2.92 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 108.597 -0.89 . . . . 73.24 108.597 -176.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -94.07 148.76 21.86 Favored 'General case' 0 C--O 1.246 0.893 0 CA-C-N 114.076 -1.42 . . . . 64.33 108.727 178.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 26.0 p -93.54 150.25 38.55 Favored Pre-proline 0 N--CA 1.477 0.922 0 CA-C-O 118.687 -0.673 . . . . 75.12 110.214 177.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -55.35 154.21 24.84 Favored 'Trans proline' 0 C--N 1.388 2.618 0 C-N-CA 123.055 2.503 . . . . 74.43 113.22 -175.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_exo -44.82 -45.66 13.47 Favored 'Trans proline' 0 C--N 1.39 2.744 0 C-N-CA 125.077 3.851 . . . . 73.25 114.647 -177.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -82.77 56.59 5.05 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-N 115.735 -0.666 . . . . 71.23 112.662 177.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.406 HD13 HG23 ' A' ' 60' ' ' ILE . 7.3 tp -73.98 139.23 19.67 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.04 0 N-CA-C 108.674 -0.861 . . . . 74.34 108.674 172.276 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.425 HG21 HD12 ' A' ' 60' ' ' ILE . 4.9 t -70.18 162.04 29.11 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 118.188 0.449 . . . . 74.34 111.303 -173.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -66.15 -45.28 81.54 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.349 1.06 . . . . 74.22 112.732 -164.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.6 m -61.19 -47.72 84.84 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-O 121.128 0.49 . . . . 72.23 111.326 -177.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.532 HG12 HD12 ' A' ' 8' ' ' ILE . 71.4 mt -61.82 -53.37 48.97 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 CA-C-N 114.961 -1.018 . . . . 74.35 109.871 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -59.56 -35.71 74.77 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 124.11 0.882 . . . . 74.33 111.628 -177.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -68.16 -55.54 11.99 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.465 0.706 . . . . 72.43 110.475 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 75.8 mtm -59.54 -44.95 93.07 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 123.708 0.63 . . . . 71.41 110.945 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.405 HG21 ' CD1' ' A' ' 7' ' ' PHE . 8.9 t -62.82 -44.76 99.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 124.141 0.977 . . . . 73.24 111.627 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.9 -29.17 69.55 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 120.791 0.329 . . . . 74.11 111.173 178.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.5 -45.34 93.41 Favored Glycine 0 C--N 1.351 1.383 0 CA-C-N 115.423 -0.808 . . . . 74.34 111.257 170.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -68.88 -27.73 66.06 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.771 0.828 . . . . 73.43 111.786 177.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.489 HG12 ' HE1' ' A' 1019 ' ' MET . 17.8 mt -67.2 -57.72 8.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 124.929 1.291 . . . . 73.33 109.853 178.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -67.08 -30.92 71.09 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-O 120.768 0.318 . . . . 74.03 110.588 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -60.06 -57.2 13.88 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-N 115.251 -0.886 . . . . 71.42 110.129 176.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.42 ' OG1' HG23 ' A' ' 14' ' ' ILE . 9.3 t -69.05 -35.74 76.9 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-N 115.407 -0.815 . . . . 73.41 111.525 -174.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.469 HD23 ' HG3' ' A' 1016 ' ' GLU . 65.3 mt -65.94 -38.54 88.89 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 123.601 0.563 . . . . 74.53 111.828 179.149 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -74.65 -42.46 58.48 Favored 'General case' 0 N--CA 1.485 1.325 0 O-C-N 123.122 0.264 . . . . 72.15 111.182 178.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.469 ' HA ' HD23 ' A' ' 22' ' ' LEU . 91.6 m-20 -60.22 -42.27 94.81 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.487 0.715 . . . . 72.32 110.576 175.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.576 ' HG2' ' HE2' ' A' ' 79' ' ' LYS . 35.4 tt0 -75.58 -30.57 59.67 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 114.839 -1.073 . . . . 72.43 110.554 -178.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -62.03 -47.2 85.8 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-O 121.521 0.677 . . . . 73.43 109.55 174.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 73.8 mt -67.66 -34.38 76.81 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 114.32 -1.309 . . . . 74.55 111.152 178.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.409 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 15.0 mt -60.62 -57.7 11.61 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.469 0.707 . . . . 72.12 110.309 171.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.576 ' HE2' ' HG2' ' A' ' 75' ' ' GLU . 47.3 mtmt -59.85 -38.64 82.68 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.98 0.912 . . . . 74.32 112.195 -176.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -69.47 -46.76 54.39 Favored Glycine 0 C--N 1.345 1.048 0 O-C-N 123.612 0.57 . . . . 70.3 112.77 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.2 tt -59.42 -58.94 6.43 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.971 0.908 . . . . 74.11 109.36 178.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.99 -30.79 71.87 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.68 1.192 . . . . 75.25 112.001 -177.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -62.05 -51.33 68.39 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 109.604 -0.517 . . . . 73.33 109.604 173.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -64.25 -43.09 95.97 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 124.11 0.881 . . . . 72.23 111.175 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -70.63 -43.9 68.3 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.134 0.574 . . . . 73.54 110.847 -173.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.512 HD11 ' HB3' ' A' 1005 ' ' LEU . 86.9 mt -67.23 -32.12 72.93 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 122.528 0.331 . . . . 72.42 110.839 175.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -59.92 -51.58 69.09 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.588 0.755 . . . . 73.02 110.13 174.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.543 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 45.3 mt-10 -61.91 -53.05 61.13 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.526 1.13 . . . . 73.34 110.352 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.653 HD12 ' SD ' ' A' 1001 ' ' MET . 95.3 mt -57.21 -42.97 82.33 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.644 1.177 . . . . 74.41 111.968 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.2 m -66.65 -34.79 78.66 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 122.371 0.268 . . . . 72.1 111.356 177.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.4 t -64.32 -36.2 83.35 Favored 'General case' 0 CA--C 1.556 1.176 0 O-C-N 123.395 0.434 . . . . 64.43 110.62 172.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 52.9 mt -72.25 -34.1 68.0 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.714 0.806 . . . . 75.21 111.036 178.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 97.9 mt -69.9 -45.68 76.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.454 1.102 . . . . 75.12 109.862 178.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -173.74 -64.61 0.05 OUTLIER Glycine 0 C--N 1.339 0.7 0 CA-C-N 115.785 -0.643 . . . . 64.21 112.088 178.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 28.5 pt20 -146.32 154.85 42.15 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 123.32 0.648 . . . . 74.25 110.215 -174.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.45 HG21 HD13 ' A' ' 105' ' ' LEU . 10.6 p -134.64 143.95 36.28 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 CA-C-N 115.178 -0.919 . . . . 61.52 108.748 170.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -98.42 151.37 20.64 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.337 0.655 . . . . 74.3 109.763 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -73.61 -30.83 63.22 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 114.908 -1.042 . . . . 74.43 110.879 -168.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.672 ' HG3' ' HB3' ' A' ' 102' ' ' SER . 19.7 pt20 -61.99 115.3 3.96 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 115.24 -0.891 . . . . 75.33 109.178 169.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -60.62 -59.96 9.34 Favored Glycine 0 CA--C 1.536 1.398 0 CA-C-N 115.588 -0.733 . . . . 71.34 114.568 -177.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -78.02 29.23 0.45 Allowed 'Trans proline' 0 C--N 1.375 1.946 0 C-N-CA 123.072 2.514 . . . . 75.42 114.097 -178.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.672 ' HB3' ' HG3' ' A' ' 99' ' ' GLN . 15.1 p -57.19 -47.24 81.75 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.146 0.978 . . . . 53.41 111.419 175.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 74.72 -63.56 0.42 Allowed 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.857 1.663 . . . . 73.34 112.115 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.05 63.26 3.57 Favored Glycine 0 C--N 1.344 1.023 0 N-CA-C 114.282 0.473 . . . . 64.0 114.282 -177.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.45 HD13 HG21 ' A' ' 96' ' ' VAL . 86.3 mt -81.65 -38.22 26.26 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.103 0.961 . . . . 74.13 109.987 177.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 59.1 t -116.55 113.01 40.77 Favored Pre-proline 0 CA--C 1.55 0.962 0 CA-C-N 115.048 -0.978 . . . . 74.33 108.652 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -75.36 -148.62 0.03 OUTLIER 'Trans proline' 0 C--N 1.375 1.946 0 C-N-CA 122.926 2.417 . . . . 75.14 111.476 173.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.496 ' HA ' ' HE ' ' A' ' 108' ' ' ARG . 1.0 OUTLIER -62.04 90.9 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 117.806 0.276 . . . . 74.33 110.945 173.884 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -72.61 -84.46 0.24 Allowed Glycine 0 C--N 1.347 1.147 0 N-CA-C 111.301 -0.72 . . . . 63.02 111.301 174.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 43.2 p -176.0 -68.59 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.252 1.021 . . . . 74.45 110.135 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -158.96 177.22 35.62 Favored Glycine 0 C--N 1.34 0.769 0 N-CA-C 111.059 -0.816 . . . . 64.43 111.059 -178.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 61.81 -85.81 0.04 OUTLIER Glycine 0 C--N 1.353 1.498 0 CA-C-N 117.111 0.455 . . . . 74.32 112.906 -177.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.5 pt -62.58 -26.4 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.364 1.065 . . . . 74.23 111.899 176.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -56.51 -60.88 2.9 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 123.855 0.722 . . . . 71.55 109.731 176.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -62.11 -42.98 99.74 Favored Glycine 0 C--N 1.363 2.07 0 CA-C-N 114.782 -1.099 . . . . 74.42 112.783 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1001 ' ' MET . . . . . 0.653 ' SD ' HD12 ' A' ' 89' ' ' LEU . 31.6 ttm -49.38 -59.4 3.75 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.355 1.062 . . . . 63.12 111.126 177.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 75.1 p -70.19 -54.18 13.94 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.284 -0.871 . . . . 71.21 111.137 -172.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 15.1 t -57.38 -46.13 83.73 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 118.021 0.373 . . . . 75.21 111.167 -174.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 81.5 mtt-85 -62.01 -57.79 10.32 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 116.182 -0.463 . . . . 74.54 110.501 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1005 ' ' LEU . . . . . 0.529 ' O ' ' HG ' ' A' 1009 ' ' LEU . 61.7 mt -65.67 -24.34 66.99 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 124.107 0.879 . . . . 75.41 112.941 -173.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 65.7 p -79.41 -44.21 21.87 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-N 118.856 0.753 . . . . 62.43 111.011 176.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 61.2 mtp85 -62.45 -34.32 76.57 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 121.728 0.775 . . . . 65.13 110.07 173.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1008 ' ' TRP . . . . . 0.63 ' HH2' HD12 ' A' ' 21' ' ' LEU . 17.4 t-105 -62.58 -55.27 28.73 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.821 1.649 . . . . 73.54 110.056 174.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1009 ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' 1005 ' ' LEU . 51.8 mt -60.69 -38.38 84.8 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.074 0.55 . . . . 75.2 112.008 -176.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 12.2 t -74.5 -32.32 62.49 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-O 119.397 -0.335 . . . . 74.52 110.859 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -70.49 -33.09 70.84 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.522 0.329 . . . . 74.32 111.324 175.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1012 ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' 1008 ' ' TRP . 20.9 mt -70.99 -47.33 59.45 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.811 0.844 . . . . 74.43 110.145 178.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 13.0 t70 -62.16 -41.55 98.41 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 114.953 -1.021 . . . . 74.12 109.757 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 8.7 t30 -62.83 -44.26 96.6 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.993 0.917 . . . . 73.34 111.085 176.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 27.9 t80 -57.76 -56.07 26.73 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 123.583 0.552 . . . . 74.41 109.999 176.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1016 ' ' GLU . . . . . 0.469 ' HG3' HD23 ' A' ' 72' ' ' LEU . 38.3 tt0 -51.71 -45.51 63.57 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 124.445 1.091 . . . . 74.52 111.757 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1017 ' ' ALA . . . . . 0.426 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -63.5 -60.06 3.84 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 123.884 0.74 . . . . 74.14 111.817 -178.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -61.39 -35.15 76.7 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.494 0.718 . . . . 73.32 111.762 -175.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1019 ' ' MET . . . . . 0.657 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.0 OUTLIER -81.3 -25.35 36.55 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.988 -0.551 . . . . 73.55 110.883 -176.183 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -75.77 -24.18 56.0 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.489 0.316 . . . . 64.43 110.616 167.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1021 ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' 1017 ' ' ALA . 77.4 mt -80.01 -20.93 44.26 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-O 118.432 -0.794 . . . . 74.11 111.782 176.306 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1022 ' ' LEU . . . . . 0.657 ' HG ' ' HA ' ' A' 1019 ' ' MET . 85.9 mt -47.58 107.82 0.79 Allowed Pre-proline 0 N--CA 1.501 2.077 0 C-N-CA 123.72 0.808 . . . . 72.22 111.847 173.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -81.75 -3.76 11.92 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.574 2.183 . . . . 73.12 111.821 174.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -168.94 99.79 0.38 Allowed 'General case' 0 C--N 1.348 0.531 0 C-N-CA 125.196 1.399 . . . . 75.33 107.735 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1025 ' ' VAL . . . . . 0.477 HG22 HD11 ' A' ' 68' ' ' ILE . 8.6 p . . . . . 0 CA--C 1.565 1.549 0 C-N-CA 123.304 0.641 . . . . 64.44 110.693 -179.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ppp? . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 120.939 0.4 . . . . 73.22 110.171 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.5 ' O ' ' HB2' ' A' ' 6' ' ' GLU . 13.1 t -60.41 -39.67 88.22 Favored 'General case' 0 C--N 1.36 1.051 0 CA-C-N 115.747 -0.661 . . . . 74.54 112.386 -173.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.5 m -76.06 -29.52 58.04 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 122.79 0.436 . . . . 65.3 111.485 -178.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 87.5 m -63.95 -58.6 6.24 Favored 'General case' 0 C--O 1.246 0.914 0 C-N-CA 123.49 0.716 . . . . 71.1 110.172 175.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.5 p -65.27 -30.73 51.16 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 CA-C-N 116.016 -0.538 . . . . 72.52 110.644 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.5 ' HB2' ' O ' ' A' ' 2' ' ' THR . 9.0 tp10 -59.43 -55.54 33.41 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.72 0.808 . . . . 74.34 110.432 175.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -60.63 -54.93 39.42 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 114.406 -1.27 . . . . 74.42 110.266 -175.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 64.0 mt -63.1 -43.34 98.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 115.524 -0.762 . . . . 75.35 111.558 -175.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.471 ' HB3' ' NH1' ' A' ' 13' ' ' ARG . 0.9 OUTLIER -71.59 -33.77 69.31 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 122.271 0.228 . . . . 70.25 111.55 -176.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.457 ' O ' HG13 ' A' ' 14' ' ' ILE . 99.2 mtt180 -63.51 -53.12 56.88 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 109.07 -0.715 . . . . 74.15 109.07 174.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -55.03 -35.69 64.72 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 123.697 0.623 . . . . 74.14 112.122 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -59.2 -55.73 31.25 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.669 0.788 . . . . 72.45 110.296 175.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.471 ' NH1' ' HB3' ' A' ' 9' ' ' ASN . 5.2 mpt_? -67.68 -28.44 67.69 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 116.034 -0.53 . . . . 75.53 111.817 -177.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 10' ' ' ARG . 92.0 mt -70.63 -39.11 75.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 123.049 0.54 . . . . 74.32 109.818 177.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.48 -43.13 86.24 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 115.701 -0.681 . . . . 72.23 110.668 176.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.13 -42.58 96.78 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 115.345 -0.843 . . . . 71.53 110.506 176.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 36.6 mt -64.27 -51.75 62.04 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.479 0.712 . . . . 71.32 110.094 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.0 p -59.66 -38.94 82.82 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.168 0.587 . . . . 72.13 111.131 -177.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -63.8 -48.66 75.99 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.737 0.815 . . . . 73.51 111.715 175.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.409 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 70.1 m -66.7 -43.48 84.23 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.155 0.582 . . . . 63.44 110.946 -177.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.533 HD21 HD12 ' A' ' 24' ' ' LEU . 96.2 mt -67.76 -31.41 71.29 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.835 1.254 . . . . 70.13 110.141 178.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.413 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 43.4 tp -61.99 -50.14 73.24 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-N 115.717 -0.674 . . . . 71.53 110.232 173.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -61.48 -36.94 81.86 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 123.8 0.688 . . . . 75.23 111.339 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.533 HD12 HD21 ' A' ' 21' ' ' LEU . 98.5 mt -61.41 -45.15 95.53 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.877 -0.416 . . . . 75.34 109.877 176.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.419 ' HB2' HD21 ' A' ' 81' ' ' LEU . . . -67.93 -32.1 72.32 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.027 0.531 . . . . 75.32 112.127 179.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 83.0 mm-40 -67.22 -36.66 82.15 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.445 0.698 . . . . 73.01 111.056 176.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -85.43 -25.3 27.06 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 122.774 0.43 . . . . 74.24 111.419 177.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.63 15.75 42.12 Favored Glycine 0 C--N 1.343 0.925 0 CA-C-N 116.416 -0.357 . . . . 41.55 113.985 -175.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -73.59 78.74 1.48 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 123.72 0.808 . . . . 73.41 110.532 175.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.452 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 12.2 m95 -75.96 -30.03 58.48 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.351 0.66 . . . . 74.14 111.684 -176.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -64.63 -49.76 69.79 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.115 0.566 . . . . 74.35 111.496 -176.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 89.3 mt -67.44 -29.84 69.41 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 115.695 -0.684 . . . . 74.22 110.791 175.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.409 HD12 HD22 ' A' ' 21' ' ' LEU . 18.2 tp -64.83 -41.94 95.33 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.154 0.582 . . . . 64.12 110.13 176.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.534 HD23 ' HG ' ' A' 1005 ' ' LEU . 86.3 mt -72.02 -35.48 69.42 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.046 0.938 . . . . 75.42 111.208 179.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -65.19 -48.8 72.17 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 121.651 0.739 . . . . 74.41 110.749 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.416 ' HB2' HD23 ' A' ' 21' ' ' LEU . 12.0 mt-30 -89.76 -9.08 50.67 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.738 1.215 . . . . 74.23 112.333 -175.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -43.92 -58.75 2.6 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.256 1.023 . . . . 74.11 111.259 169.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.3 p -58.03 -36.31 56.03 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.904 0 CA-C-N 115.091 -0.959 . . . . 73.33 111.79 -178.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.7 m -68.14 -42.6 79.89 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.169 0.588 . . . . 62.43 111.339 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -68.09 -46.65 70.4 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.546 0.738 . . . . 73.13 111.099 -179.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.7 mt -69.18 -29.55 67.57 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 123.385 0.674 . . . . 74.3 110.814 -178.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -67.59 -45.98 73.95 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.664 0.785 . . . . 74.32 110.852 173.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.3 m -62.62 -41.9 99.27 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.495 0.718 . . . . 75.21 111.244 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 25.1 mt -57.29 -51.77 65.22 Favored 'Isoleucine or valine' 0 C--O 1.25 1.083 0 C-N-CA 124.934 1.294 . . . . 75.04 110.82 173.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -56.73 -54.67 43.55 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.956 -1.02 . . . . 72.41 111.043 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.7 t -67.28 -37.26 83.14 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 115.86 -0.609 . . . . 74.11 111.46 -173.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.7 p -69.61 -36.21 69.71 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 CA-C-N 118.292 0.496 . . . . 65.31 110.695 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 42.3 ttm -73.22 -31.02 63.9 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 116.371 -0.377 . . . . 73.44 110.519 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -67.95 -36.13 79.58 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.265 0.626 . . . . 72.23 110.514 173.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -96.07 68.72 2.73 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.989 0.916 . . . . 75.32 109.195 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -83.3 138.53 33.52 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 109.347 -0.612 . . . . 75.32 109.347 175.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.1 p -70.65 149.09 95.34 Favored Pre-proline 0 CA--C 1.552 1.035 0 C-N-CA 123.017 0.527 . . . . 73.55 111.073 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -62.39 166.58 12.85 Favored 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 123.467 2.778 . . . . 74.11 113.185 173.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -43.0 -44.23 9.4 Favored 'Trans proline' 0 C--N 1.387 2.584 0 C-N-CA 124.503 3.468 . . . . 71.52 113.874 174.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -72.9 67.79 1.35 Allowed Glycine 0 C--N 1.352 1.451 0 CA-C-N 116.167 -0.469 . . . . 74.44 113.139 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 5.4 tp -102.7 112.78 37.28 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.159 0 C-N-CA 124.929 1.292 . . . . 74.01 108.174 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.0 t -80.04 164.46 23.4 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.412 0.685 . . . . 71.51 111.571 -173.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -57.55 -42.75 83.6 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.696 1.198 . . . . 74.12 111.829 -176.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.5 m -55.27 -58.13 8.96 Favored 'General case' 0 C--O 1.25 1.09 0 O-C-N 123.571 0.544 . . . . 74.05 111.252 -178.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 53.8 mt -62.79 -50.13 80.93 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 CA-C-N 114.96 -1.018 . . . . 74.23 109.713 -177.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.9 tm0? -52.66 -47.71 66.94 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 124.329 1.018 . . . . 70.15 110.558 -177.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -69.06 -47.84 64.31 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.169 0.988 . . . . 71.24 111.736 -174.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 77.4 mtm -63.41 -49.16 74.85 Favored 'General case' 0 C--O 1.255 1.376 0 CA-C-O 121.402 0.62 . . . . 74.21 110.583 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.1 t -57.62 -41.56 79.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 CA-C-N 114.694 -1.139 . . . . 63.32 111.008 174.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.439 ' O ' ' HG2' ' A' ' 69' ' ' LYS . . . -64.22 -33.94 76.96 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 123.495 0.497 . . . . 61.21 111.076 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.96 -52.06 54.68 Favored Glycine 0 C--N 1.353 1.517 0 N-CA-C 110.777 -0.929 . . . . 72.23 110.777 173.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -63.26 -29.48 70.8 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 114.925 -0.637 . . . . 74.14 112.564 177.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.444 HG12 ' HE3' ' A' 1019 ' ' MET . 19.8 mt -67.45 -44.28 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 124.391 1.076 . . . . 64.25 110.279 177.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 32.3 mmmt -65.49 -40.85 93.56 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.313 -0.403 . . . . 75.45 110.037 177.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -60.08 -55.35 35.05 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.034 0.533 . . . . 73.14 110.673 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.4 t -65.21 -43.97 89.82 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-O 118.938 -0.553 . . . . 75.25 111.484 -174.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.0 mt -68.72 -30.33 68.95 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 117.991 0.359 . . . . 73.51 111.827 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -70.88 -50.96 29.42 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-O 121.408 0.623 . . . . 73.31 110.326 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -68.32 -34.07 75.45 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 114.635 -1.166 . . . . 74.33 110.532 -177.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.402 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 40.5 tt0 -75.09 -30.67 60.97 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 123.64 0.776 . . . . 74.34 110.92 176.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -65.93 -41.3 91.54 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 121.157 0.503 . . . . 74.52 109.887 174.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 63.3 mt -67.83 -40.25 83.77 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 115.228 -0.897 . . . . 74.31 110.485 175.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 40.4 mt -61.95 -39.62 92.73 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 123.431 0.692 . . . . 75.45 110.98 171.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -63.88 -52.55 59.46 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.434 1.094 . . . . 75.21 109.638 -175.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.46 -51.05 45.54 Favored Glycine 0 C--N 1.348 1.243 0 CA-C-N 114.99 -1.004 . . . . 70.44 113.051 -179.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.419 HD21 ' HB2' ' A' ' 25' ' ' ALA . 9.4 tt -58.06 -51.31 70.22 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.695 0.798 . . . . 74.3 110.332 -177.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.47 HD11 ' HE1' ' A' 1008 ' ' TRP . 27.4 mt -77.56 -23.83 49.97 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.418 0.687 . . . . 73.22 112.412 -173.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -65.76 -53.88 34.63 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 108.708 -0.849 . . . . 64.5 108.708 170.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -59.08 -38.65 79.98 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 114.921 -1.036 . . . . 75.52 111.113 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -73.9 -51.2 16.9 Favored 'General case' 0 C--O 1.213 -0.826 0 CA-C-N 115.411 -0.813 . . . . 74.3 110.317 -172.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.578 HD13 ' HB3' ' A' 1005 ' ' LEU . 71.1 mt -62.37 -41.26 98.49 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 122.67 0.388 . . . . 63.52 111.637 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -61.0 -50.12 74.66 Favored 'General case' 0 C--O 1.247 0.931 0 O-C-N 123.897 0.748 . . . . 75.13 110.52 178.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.517 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 39.5 tt0 -57.84 -56.85 16.67 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 115.136 -0.938 . . . . 73.23 110.741 176.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 86.2 mt -57.12 -40.91 78.03 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.434 1.094 . . . . 72.51 111.989 -177.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.434 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 32.8 t -65.34 -39.51 92.47 Favored 'General case' 0 C--O 1.244 0.809 0 C-N-CA 123.171 0.589 . . . . 72.2 110.414 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 39.6 t -62.24 -40.23 95.48 Favored 'General case' 0 CA--C 1.554 1.122 0 CA-C-N 115.252 -0.885 . . . . 75.11 111.517 172.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 53.0 mt -68.41 -38.12 80.95 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.494 0.718 . . . . 74.21 110.809 -179.338 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 94.6 mt -68.34 -39.36 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-N 115.039 -0.982 . . . . 74.14 110.456 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -175.47 -61.38 0.06 OUTLIER Glycine 0 C--N 1.344 1.02 0 O-C-N 123.311 0.382 . . . . 65.14 112.4 177.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -164.33 151.73 11.9 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.68 0.792 . . . . 72.15 109.006 -175.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.448 HG21 ' HB3' ' A' ' 105' ' ' LEU . 7.1 p -127.85 142.89 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.015 0.926 . . . . 74.42 108.607 173.025 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 49.4 tp -139.79 150.83 45.21 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 109.063 -0.717 . . . . 75.01 109.063 177.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -64.67 -41.8 95.83 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.236 1.015 . . . . 75.3 109.947 178.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -78.57 81.36 4.9 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 107.984 -1.117 . . . . 70.51 107.984 170.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.401 ' HA3' HD22 ' A' ' 105' ' ' LEU . . . -86.26 110.08 3.45 Favored Glycine 0 C--N 1.343 0.95 0 CA-C-O 118.247 -1.307 . . . . 65.35 111.748 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.68 97.49 0.06 OUTLIER 'Trans proline' 0 C--N 1.378 2.106 0 C-N-CA 122.967 2.445 . . . . 71.51 113.271 -178.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.9 m 56.57 52.37 9.88 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 124.784 1.234 . . . . 64.45 111.908 174.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 80.73 -13.27 0.94 Allowed 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 125.51 1.524 . . . . 62.32 113.399 177.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -87.41 95.93 2.12 Favored Glycine 0 C--N 1.345 1.067 0 N-CA-C 111.987 -0.445 . . . . 74.44 111.987 177.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.448 ' HB3' HG21 ' A' ' 96' ' ' VAL . 88.1 mt -69.81 -35.55 74.91 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.284 0.634 . . . . 73.42 111.163 178.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 33.3 m -68.74 147.44 97.93 Favored Pre-proline 0 N--CA 1.481 1.089 0 C-N-CA 123.442 0.697 . . . . 74.53 110.931 175.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -58.47 110.01 0.59 Allowed 'Trans proline' 0 C--N 1.372 1.784 0 C-N-CA 122.383 2.055 . . . . 75.44 110.444 166.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -68.18 97.34 0.7 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.233 0.613 . . . . 71.32 109.632 -174.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -99.89 -77.73 1.32 Allowed Glycine 0 C--N 1.335 0.509 0 N-CA-C 110.245 -1.142 . . . . 62.3 110.245 167.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 71.8 m -158.41 175.79 13.25 Favored 'General case' 0 C--O 1.243 0.748 0 C-N-CA 124.592 1.157 . . . . 74.42 109.937 177.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 108.02 167.57 21.46 Favored Glycine 0 C--N 1.346 1.096 0 CA-C-N 115.803 -0.635 . . . . 73.23 114.215 169.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -74.73 -5.6 74.77 Favored Glycine 0 C--N 1.352 1.436 0 CA-C-O 120.04 -0.311 . . . . 64.32 113.398 178.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 39.2 pt -58.97 -31.63 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 123.493 0.717 . . . . 75.24 111.261 172.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -53.97 -45.51 71.39 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.25 1.02 . . . . 74.41 109.946 174.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -58.03 -60.16 9.47 Favored Glycine 0 C--N 1.352 1.45 0 CA-C-N 114.857 -1.065 . . . . 70.31 112.217 177.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 54.9 ttp -54.12 -48.79 70.38 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.522 0.729 . . . . 74.31 112.299 -177.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 49.3 p -66.37 -53.87 31.01 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 116.26 -0.427 . . . . 65.42 111.599 -175.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 69.5 m -60.2 -41.6 93.33 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.173 0.589 . . . . 62.55 111.291 -177.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.76 -55.35 27.38 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 115.469 -0.787 . . . . 72.13 111.29 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1005 ' ' LEU . . . . . 0.578 ' HB3' HD13 ' A' ' 86' ' ' LEU . 27.4 mt -72.33 -27.41 62.4 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 112.819 0.674 . . . . 74.53 112.819 -174.157 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 41.6 p -77.09 -39.13 50.74 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 118.658 0.663 . . . . 73.15 110.457 176.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -60.02 -41.06 91.38 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 121.221 0.534 . . . . 74.14 109.676 170.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1008 ' ' TRP . . . . . 0.485 ' HB3' ' HA ' ' A' 1005 ' ' LEU . 0.4 OUTLIER -63.5 -45.76 89.21 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 114.486 -1.234 . . . . 75.41 110.315 177.769 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1009 ' ' LEU . . . . . 0.458 HD21 ' HB2' ' A' ' 82' ' ' LEU . 38.5 mt -68.09 -35.15 77.7 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 122.741 0.416 . . . . 74.22 112.075 -177.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 6.9 t -78.66 -23.12 45.9 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 109.984 -0.376 . . . . 75.11 109.984 176.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -77.59 -28.73 51.69 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.381 0.672 . . . . 71.25 111.029 172.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1012 ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' 1008 ' ' TRP . 22.5 mt -70.44 -49.46 48.57 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 108.279 -1.008 . . . . 75.44 108.279 173.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 19.4 t70 -61.18 -32.38 72.12 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 114.076 -1.42 . . . . 74.22 110.844 177.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -71.25 -46.52 60.81 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.062 0.545 . . . . 64.14 110.437 178.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 38.0 t80 -59.66 -57.85 11.14 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.418 0.687 . . . . 75.5 110.175 177.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -42.78 -50.69 5.59 Favored 'General case' 0 C--O 1.242 0.675 0 C-N-CA 125.845 1.658 . . . . 73.42 112.325 172.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1017 ' ' ALA . . . . . 0.412 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -61.24 -61.64 2.41 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 123.933 0.771 . . . . 71.31 111.382 179.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -60.47 -33.99 73.38 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.067 0.947 . . . . 71.31 112.1 -173.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1019 ' ' MET . . . . . 0.741 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 1.9 ptm -87.26 -21.73 25.62 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 116.224 -0.443 . . . . 73.44 111.037 -174.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -78.59 -18.99 53.75 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 110.267 -0.272 . . . . 73.02 110.267 163.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1021 ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' 1017 ' ' ALA . 97.4 mt -87.74 -11.68 47.43 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.814 0.846 . . . . 75.31 111.38 174.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1022 ' ' LEU . . . . . 0.741 ' HG ' ' HA ' ' A' 1019 ' ' MET . 34.8 mt -43.51 110.53 0.95 Allowed Pre-proline 0 N--CA 1.498 1.954 0 C-N-CA 123.178 0.591 . . . . 65.11 111.337 172.373 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1023 ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' 1022 ' ' LEU . 51.5 Cg_exo -56.16 -45.88 34.85 Favored 'Trans proline' 0 C--N 1.379 2.181 0 C-N-CA 123.58 2.853 . . . . 62.41 113.557 -169.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -169.03 94.54 0.32 Allowed 'General case' 0 CA--C 1.542 0.661 0 O-C-N 123.696 0.623 . . . . 72.13 110.872 -177.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1025 ' ' VAL . . . . . 0.479 HG13 HD12 ' A' 1022 ' ' LEU . 3.5 p . . . . . 0 CA--C 1.559 1.309 0 CA-C-O 117.968 -1.015 . . . . 73.12 109.556 168.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ttt . . . . . 0 N--CA 1.484 1.244 0 CA-C-O 119.834 -0.127 . . . . 75.14 111.09 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.2 t -59.75 -37.19 78.3 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 111.905 0.335 . . . . 64.1 111.905 -174.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 p -62.9 -45.71 91.25 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 122.984 0.514 . . . . 45.13 110.519 177.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 33.7 m -55.39 -54.37 44.55 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 124.583 1.177 . . . . 72.12 111.524 176.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.14 -54.81 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-N 115.339 -0.846 . . . . 72.13 110.862 -174.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -56.15 -53.25 59.32 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 123.725 0.64 . . . . 72.3 110.791 -178.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -60.39 -54.4 46.13 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.594 0.758 . . . . 73.2 111.192 -172.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.508 HD11 HG12 ' A' ' 60' ' ' ILE . 90.1 mt -62.89 -46.38 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 123.388 0.675 . . . . 72.22 111.235 -178.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.77 -36.62 84.91 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 122.871 0.468 . . . . 72.44 111.681 -175.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.476 ' O ' HG13 ' A' ' 14' ' ' ILE . 57.4 mtt180 -73.16 -48.86 31.79 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 123.444 0.465 . . . . 75.2 109.821 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 62.2 m95 -59.65 -40.7 88.58 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 111.955 0.354 . . . . 70.3 111.955 176.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.468 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 51.6 tt0 -59.65 -48.17 82.72 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.379 1.071 . . . . 72.43 109.841 176.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -58.35 -45.59 87.89 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 124.361 1.038 . . . . 73.35 110.856 -179.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.505 HG23 ' OG1' ' A' ' 71' ' ' THR . 75.6 mt -65.92 -38.93 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 123.923 0.889 . . . . 75.21 110.487 -178.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.73 -44.24 86.57 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.165 0.586 . . . . 71.33 111.586 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 85.1 mt -69.75 -43.53 72.07 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 115.58 -0.736 . . . . 74.24 110.467 -178.442 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 69.1 mt -61.31 -51.88 67.01 Favored 'General case' 0 C--O 1.214 -0.811 0 O-C-N 123.944 0.778 . . . . 75.34 110.197 177.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.426 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . 77.6 p -63.38 -35.75 81.43 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.24 0.616 . . . . 72.34 111.806 -177.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -62.78 -52.04 64.73 Favored 'General case' 0 C--O 1.251 1.132 0 C-N-CA 123.216 0.606 . . . . 74.34 110.269 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.526 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 50.4 m -55.31 -55.14 34.91 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 124.461 1.101 . . . . 75.44 110.1 176.224 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.561 HD23 ' HB2' ' A' ' 36' ' ' GLN . 85.7 mt -60.74 -32.65 71.92 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.365 1.466 . . . . 70.05 111.619 -176.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.708 HD21 ' HA ' ' A' ' 74' ' ' ASN . 37.4 tp -64.75 -54.04 37.72 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 109.335 -0.616 . . . . 75.11 109.335 176.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -57.32 -36.82 71.58 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 124.276 0.985 . . . . 74.11 111.028 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 20' ' ' SER . 95.7 mt -64.97 -45.22 86.59 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.421 0.688 . . . . 74.04 110.747 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.469 ' HB3' HD23 ' A' ' 81' ' ' LEU . . . -67.78 -34.7 77.3 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 122.813 0.445 . . . . 74.11 111.2 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -70.14 -28.15 65.13 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 124.007 0.923 . . . . 72.05 111.072 174.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.6 mtp180 -104.14 8.66 36.39 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 124.004 0.921 . . . . 75.44 112.254 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.7 20.26 77.23 Favored Glycine 0 C--N 1.351 1.408 0 N-CA-C 115.258 0.863 . . . . 62.24 115.258 173.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.508 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 41.9 mm-40 -81.53 68.27 7.81 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.939 0.895 . . . . 74.5 109.965 174.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -68.31 -30.31 69.27 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.307 0.643 . . . . 74.14 110.658 -176.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -62.84 -47.85 81.63 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.073 0.949 . . . . 74.32 110.576 176.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.2 mt -70.85 -24.46 62.53 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 115.583 -0.735 . . . . 74.41 111.53 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 78.4 mt -63.4 -54.87 29.89 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 109.096 -0.705 . . . . 72.51 109.096 169.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.423 ' HB3' HH11 ' A' 1004 ' ' ARG . 89.8 mt -66.92 -21.52 65.99 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.749 0.82 . . . . 72.02 112.272 -177.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -71.93 -58.0 3.82 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.535 0.734 . . . . 75.2 110.239 175.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.561 ' HB2' HD23 ' A' ' 21' ' ' LEU . 12.1 mt-30 -87.19 -9.04 56.2 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.602 1.161 . . . . 72.43 112.132 -173.073 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -47.03 -54.86 9.31 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 125.292 1.437 . . . . 72.41 112.088 176.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.4 p -56.15 -43.07 75.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 O-C-N 123.841 0.713 . . . . 74.42 111.57 178.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.5 m -63.77 -40.94 97.92 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.707 0.803 . . . . 63.32 111.168 -178.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.426 ' CE2' ' HB3' ' A' ' 18' ' ' SER . 48.1 t80 -69.46 -47.35 64.26 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.11 -0.95 . . . . 73.41 111.57 -177.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.412 HD11 ' HA ' ' A' 1008 ' ' TRP . 46.0 mt -70.72 -28.75 64.96 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 116.179 -0.464 . . . . 64.22 110.647 -178.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -71.13 -43.98 66.5 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.745 0.818 . . . . 75.53 110.677 176.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.437 ' HA ' HG22 ' A' ' 46' ' ' THR . 46.7 p -67.01 -37.45 84.2 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.677 0.391 . . . . 73.43 110.895 178.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 26.5 mt -57.1 -51.7 65.66 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 124.35 1.06 . . . . 71.31 110.575 171.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -57.28 -46.46 83.1 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 114.745 -1.116 . . . . 72.24 111.038 -177.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.437 HG22 ' HA ' ' A' ' 43' ' ' SER . 7.5 t -78.88 -25.85 43.92 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 115.575 -0.739 . . . . 74.45 112.086 -173.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.1 p -76.51 -35.51 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 CA-C-N 118.649 0.659 . . . . 74.42 110.149 176.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 33.7 ttm -75.73 -27.82 58.29 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.635 -0.712 . . . . 71.42 109.463 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -65.41 -36.51 84.15 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.291 1.036 . . . . 73.42 111.094 169.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -113.83 72.07 0.77 Allowed 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 107.989 -1.115 . . . . 74.32 107.989 -177.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.2 pm0 -91.3 130.02 37.22 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 115.276 -0.874 . . . . 75.25 108.748 177.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 65.4 p -90.12 142.3 28.54 Favored Pre-proline 0 CA--C 1.549 0.907 0 N-CA-C 109.511 -0.551 . . . . 74.45 109.511 173.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -57.45 165.55 5.73 Favored 'Trans proline' 0 CA--C 1.567 2.138 0 C-N-CA 123.234 2.623 . . . . 71.23 113.868 172.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_exo -47.08 -45.9 20.33 Favored 'Trans proline' 0 C--N 1.385 2.479 0 C-N-CA 124.297 3.331 . . . . 75.4 114.673 176.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.93 81.44 0.03 OUTLIER Glycine 0 C--N 1.355 1.608 0 O-C-N 123.446 0.466 . . . . 63.34 113.038 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.4 tp -128.42 150.22 33.94 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 C-N-CA 124.515 1.126 . . . . 73.43 108.826 -174.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.8 p -74.51 159.29 32.42 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.078 0.951 . . . . 72.45 111.931 -176.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -56.07 -52.31 64.71 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.712 1.205 . . . . 71.42 113.019 -175.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.4 m -63.74 -47.26 81.76 Favored 'General case' 0 C--O 1.246 0.885 0 O-C-N 123.864 0.728 . . . . 75.21 111.404 -173.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.508 HG12 HD11 ' A' ' 8' ' ' ILE . 64.2 mt -60.2 -56.01 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 O-C-N 123.809 0.693 . . . . 73.32 109.694 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -57.6 -41.16 80.66 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 124.062 0.852 . . . . 72.34 110.768 -176.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -66.88 -53.99 26.73 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.606 0.762 . . . . 71.31 110.817 -176.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 71.9 mtm -63.14 -44.43 95.58 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 123.842 0.713 . . . . 74.32 110.728 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.0 t -61.93 -39.6 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 123.817 0.847 . . . . 74.04 110.862 177.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.98 -33.99 77.37 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 123.36 0.413 . . . . 51.31 110.558 176.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.23 -47.19 90.19 Favored Glycine 0 C--N 1.353 1.485 0 O-C-N 123.948 0.78 . . . . 73.22 111.486 172.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -63.65 -33.56 75.91 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.564 0.746 . . . . 74.42 111.228 178.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.403 HG12 ' HE3' ' A' 1019 ' ' MET . 24.6 mt -68.77 -46.83 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 124.922 1.289 . . . . 75.23 110.39 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -61.13 -46.35 90.92 Favored 'General case' 0 C--O 1.252 1.196 0 C-N-CA 122.984 0.514 . . . . 75.05 110.398 177.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -56.57 -60.05 4.1 Favored 'General case' 0 C--N 1.356 0.862 0 O-C-N 124.447 1.092 . . . . 74.11 110.233 178.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.505 ' OG1' HG23 ' A' ' 14' ' ' ILE . 11.1 t -68.75 -38.13 79.9 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 123.495 0.497 . . . . 74.23 112.305 -169.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 39.9 mt -67.16 -41.12 86.56 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 123.349 0.405 . . . . 73.21 111.601 178.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -73.38 -39.92 64.75 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 120.638 0.256 . . . . 74.43 111.333 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.708 ' HA ' HD21 ' A' ' 22' ' ' LEU . 94.3 m-20 -59.43 -48.21 82.5 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.944 0.898 . . . . 73.2 110.337 174.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -68.95 -32.43 72.03 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.824 1.25 . . . . 75.21 111.077 -179.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -63.36 -48.3 78.49 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.467 0.707 . . . . 75.43 109.887 177.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 96.5 mt -67.13 -38.84 86.27 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 115.193 -0.912 . . . . 75.12 110.791 177.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 25.5 mt -57.7 -44.21 85.73 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.972 0.909 . . . . 74.21 111.083 172.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -65.7 -52.75 48.91 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.142 0.977 . . . . 75.2 108.741 -173.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.54 -44.49 95.06 Favored Glycine 0 C--N 1.354 1.552 0 O-C-N 124.204 0.94 . . . . 72.12 113.471 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.469 HD23 ' HB3' ' A' ' 25' ' ' ALA . 10.4 tt -61.95 -56.44 19.15 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.789 0.835 . . . . 72.13 109.994 -178.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 23.9 mt -67.79 -25.09 65.42 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.978 0.911 . . . . 64.42 111.933 -177.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 -67.85 -54.34 19.7 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 123.13 0.269 . . . . 71.12 110.37 174.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.461 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 25.4 mt-30 -63.78 -26.44 68.64 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 123.83 0.707 . . . . 72.24 111.492 176.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -74.95 -50.2 17.5 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 109.054 -0.721 . . . . 73.34 109.054 -177.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.504 HD22 HD13 ' A' ' 89' ' ' LEU . 97.6 mt -66.32 -27.72 68.12 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.329 0.652 . . . . 74.41 111.068 176.102 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -61.37 -55.25 33.69 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.093 0.957 . . . . 72.34 109.931 174.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.522 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 50.9 mt-10 -54.81 -47.77 73.61 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 115.11 -0.95 . . . . 74.04 110.594 177.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.504 HD13 HD22 ' A' ' 86' ' ' LEU . 96.3 mt -56.79 -43.42 80.89 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 124.174 0.921 . . . . 75.43 111.568 178.119 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.5 m -61.62 -37.96 85.89 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.872 0.469 . . . . 74.4 111.22 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.555 ' HA ' ' HB3' ' A' ' 95' ' ' GLN . 32.7 t -65.44 -37.78 87.91 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 115.702 -0.681 . . . . 63.1 111.327 175.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 48.0 mt -71.08 -50.67 31.28 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.322 0.649 . . . . 74.14 110.863 -178.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 76.2 mt -63.58 -46.93 93.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 124.777 1.231 . . . . 74.11 110.587 -176.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 159.5 99.33 0.15 Allowed Glycine 0 C--N 1.338 0.65 0 N-CA-C 110.642 -0.983 . . . . 61.43 110.642 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.555 ' HB3' ' HA ' ' A' ' 91' ' ' SER . 10.2 pt20 -77.76 76.4 4.29 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-O 121.702 0.763 . . . . 74.04 111.334 -178.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.9 p -67.47 -38.61 80.98 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 N-CA-C 107.866 -1.161 . . . . 74.42 107.866 163.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 97.3 mt -129.08 118.08 21.91 Favored 'General case' 0 C--O 1.242 0.678 0 N-CA-C 106.856 -1.535 . . . . 74.12 106.856 165.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -52.26 -38.87 59.41 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.586 1.154 . . . . 74.24 110.886 173.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -160.18 144.96 14.72 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-N 114.922 -1.036 . . . . 73.45 108.554 175.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 177.14 157.85 19.06 Favored Glycine 0 CA--C 1.532 1.095 0 CA-C-O 119.037 -0.868 . . . . 65.4 111.607 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -70.08 89.48 0.56 Allowed 'Trans proline' 0 C--N 1.374 1.895 0 C-N-CA 122.974 2.45 . . . . 74.43 111.487 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 44.7 t -133.05 144.47 50.05 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.902 0.881 . . . . 74.34 110.225 -175.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -72.49 -18.27 61.68 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.337 1.055 . . . . 72.03 111.723 175.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.38 120.24 0.97 Allowed Glycine 0 C--N 1.345 1.065 0 N-CA-C 110.162 -1.175 . . . . 71.41 110.162 -178.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.1 -32.12 73.42 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.295 0.638 . . . . 74.43 110.913 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.498 HG23 ' HA ' ' A' ' 114' ' ' GLU . 34.9 m -57.5 147.14 61.21 Favored Pre-proline 0 CA--C 1.559 1.311 0 C-N-CA 124.774 1.23 . . . . 73.23 112.838 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.11 127.22 14.78 Favored 'Trans proline' 0 C--N 1.377 2.075 0 C-N-CA 122.45 2.1 . . . . 72.2 110.789 170.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 22.1 mtm-85 -103.37 127.66 50.66 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.867 0.867 . . . . 74.24 109.263 -179.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 164.96 23.01 0.02 OUTLIER Glycine 0 C--N 1.342 0.869 0 O-C-N 123.325 0.39 . . . . 70.42 112.947 175.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.9 m -138.65 -72.09 0.41 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.676 0.791 . . . . 73.41 109.729 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 129.74 43.71 0.2 Allowed Glycine 0 C--N 1.353 1.516 0 C-N-CA 123.124 0.393 . . . . 75.21 112.649 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -107.35 -114.79 3.89 Favored Glycine 0 C--N 1.349 1.276 0 CA-C-O 119.87 -0.406 . . . . 64.42 112.588 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 17.7 tt -69.92 -27.06 31.52 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 C-N-CA 123.969 0.908 . . . . 74.23 110.285 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.498 ' HA ' HG23 ' A' ' 106' ' ' VAL . 11.7 pt-20 -54.75 -34.87 63.1 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 114.433 -1.258 . . . . 75.44 110.955 168.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -59.38 -53.45 46.12 Favored Glycine 0 C--N 1.353 1.487 0 O-C-N 123.957 0.786 . . . . 74.01 111.83 177.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 44.3 ttp -58.59 -47.52 84.01 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.437 0.695 . . . . 74.01 111.219 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 32.6 p -65.51 -44.32 87.37 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 112.126 0.417 . . . . 53.22 112.126 -175.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 42.8 p -69.84 -42.27 73.81 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.358 0.263 . . . . 75.02 110.893 -177.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1004 ' ' ARG . . . . . 0.423 HH11 ' HB3' ' A' ' 34' ' ' LEU . 95.4 mtt180 -60.22 -48.59 81.09 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 123.751 0.657 . . . . 74.52 110.68 177.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1005 ' ' LEU . . . . . 0.539 ' HA ' ' HB3' ' A' 1008 ' ' TRP . 54.0 mt -73.94 -29.42 62.01 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 123.801 0.688 . . . . 70.52 112.502 -175.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 32.2 p -74.38 -39.59 62.62 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 118.593 0.633 . . . . 55.0 110.522 176.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 40.3 mmm-85 -64.08 -37.6 88.04 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-O 121.157 0.503 . . . . 71.22 110.187 171.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1008 ' ' TRP . . . . . 0.539 ' HB3' ' HA ' ' A' 1005 ' ' LEU . 1.6 t-105 -61.88 -49.33 76.66 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 114.72 -1.127 . . . . 74.03 110.258 177.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1009 ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' 1005 ' ' LEU . 80.2 mt -70.75 -35.24 72.57 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 109.175 -0.676 . . . . 75.34 109.175 -175.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 21.6 m -57.65 -47.09 83.23 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.366 1.067 . . . . 72.14 110.436 173.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -73.1 -28.4 62.25 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.283 0.633 . . . . 74.51 111.499 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1012 ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' 1008 ' ' TRP . 15.9 mt -66.36 -52.69 44.37 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 121.338 0.59 . . . . 71.2 109.686 175.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 23.8 t70 -64.35 -38.61 91.64 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 114.463 -1.244 . . . . 75.45 110.553 -176.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 55.1 t30 -67.21 -44.07 80.46 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 115.655 -0.702 . . . . 70.52 110.745 178.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 45.1 t80 -61.3 -60.52 3.61 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 123.715 0.634 . . . . 73.11 109.846 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -46.53 -50.72 16.76 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.872 1.269 . . . . 73.11 112.22 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -60.22 -59.92 4.65 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 124.09 0.869 . . . . 52.13 111.711 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -63.36 -37.19 86.29 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.987 0.915 . . . . 73.43 111.789 -174.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1019 ' ' MET . . . . . 0.513 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.3 OUTLIER -81.26 -22.25 38.83 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.816 -0.629 . . . . 75.33 110.813 -175.569 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -70.22 -36.66 74.7 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 109.546 -0.539 . . . . 64.14 109.546 166.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.55 -25.88 66.03 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.553 0.741 . . . . 71.31 111.787 176.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1022 ' ' LEU . . . . . 0.513 ' HG ' ' HA ' ' A' 1019 ' ' MET . 85.6 mt -50.73 116.61 7.24 Favored Pre-proline 0 N--CA 1.495 1.787 0 C-N-CA 123.109 0.563 . . . . 73.55 111.358 170.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -98.8 28.3 0.15 Allowed 'Trans proline' 0 C--N 1.376 2.008 0 C-N-CA 123.719 2.946 . . . . 73.32 111.801 170.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -91.7 -64.78 1.07 Allowed 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.571 0.748 . . . . 74.42 111.269 -172.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1025 ' ' VAL . . . . . . . . . . . . . 42.8 t . . . . . 0 C--O 1.252 1.233 0 C-N-CA 123.902 0.881 . . . . 75.12 109.515 -176.965 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 119.732 -0.175 . . . . 71.21 110.908 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.4 p -61.84 -50.62 71.55 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 112.83 0.678 . . . . 74.05 112.83 -172.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 m -63.49 -37.04 85.77 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.188 0.595 . . . . 74.05 111.58 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.6 m -63.76 -55.6 21.9 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.137 0.975 . . . . 70.43 111.15 178.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 75.5 t -57.57 -49.01 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 O-C-N 123.647 0.592 . . . . 74.12 110.084 178.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.406 ' HG3' ' CZ ' ' A' ' 10' ' ' ARG . 8.6 tp10 -53.73 -50.53 65.76 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.25 1.02 . . . . 73.03 111.645 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -68.37 -55.2 12.8 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.776 0.83 . . . . 75.22 111.007 -174.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.617 HD13 HG12 ' A' ' 60' ' ' ILE . 84.6 mt -61.1 -42.31 92.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 123.959 0.904 . . . . 55.4 111.278 -178.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -74.36 -34.43 63.38 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.8 0.44 . . . . 73.11 111.232 -174.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.817 HH12 ' HB2' ' A' ' 50' ' ' LYS . 82.5 mtm180 -66.65 -46.28 76.23 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 119.274 -0.393 . . . . 74.55 110.108 173.185 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 57.9 m95 -64.16 -33.25 75.35 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 123.134 0.271 . . . . 75.02 111.684 177.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -67.12 -40.41 86.83 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.591 0.756 . . . . 71.32 109.206 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -66.21 -42.61 88.52 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.346 -0.843 . . . . 73.54 110.369 178.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 10' ' ' ARG . 84.3 mt -68.96 -33.93 61.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.79 0.836 . . . . 74.03 110.111 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.83 -52.03 58.91 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.326 0.65 . . . . 53.2 110.328 176.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.6 mt -61.02 -44.39 97.48 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 124.285 0.991 . . . . 75.44 110.749 178.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 66.6 mt -61.56 -50.66 71.74 Favored 'General case' 0 C--O 1.211 -0.946 0 C-N-CA 123.218 0.607 . . . . 55.24 110.157 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 85.7 p -63.34 -43.79 96.71 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.162 0.585 . . . . 74.2 112.222 -175.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -71.0 -38.59 72.67 Favored 'General case' 0 C--O 1.247 0.964 0 O-C-N 123.417 0.448 . . . . 71.11 111.197 -178.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.513 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 70.4 m -64.8 -40.9 95.98 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 122.822 0.449 . . . . 73.2 110.069 174.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.596 HD11 ' HH2' ' A' 1008 ' ' TRP . 41.0 mt -65.23 -34.85 79.33 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.892 0.877 . . . . 73.4 110.492 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.2 tp -67.17 -39.62 86.5 Favored 'General case' 0 C--N 1.349 0.571 0 N-CA-C 109.77 -0.456 . . . . 75.31 109.77 176.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -58.85 -45.49 89.99 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 123.655 0.597 . . . . 71.32 110.337 173.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 20' ' ' SER . 75.9 mt -63.63 -41.1 98.29 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.095 0.958 . . . . 73.5 111.359 -178.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.491 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -70.75 -46.66 62.57 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.08 0.552 . . . . 72.24 111.314 -177.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -66.38 -32.79 74.4 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 123.941 0.776 . . . . 73.44 111.429 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -88.85 -22.8 23.01 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.344 0.658 . . . . 74.24 110.181 -177.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.97 16.99 24.23 Favored Glycine 0 C--N 1.354 1.545 0 N-CA-C 115.774 1.07 . . . . 73.03 115.774 173.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -77.78 83.59 4.13 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-N 118.793 1.297 . . . . 74.42 110.009 170.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 39.1 m95 -72.62 -31.06 64.86 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.507 0.723 . . . . 74.11 110.256 178.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -64.17 -43.56 94.78 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.69 0.796 . . . . 75.52 111.203 177.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 76.8 mt -76.69 -21.87 54.74 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 115.967 -0.56 . . . . 75.41 111.244 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.439 HD11 HD23 ' A' ' 82' ' ' LEU . 74.7 mt -63.93 -47.43 80.54 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 109.365 -0.605 . . . . 75.41 109.365 167.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.0 mt -68.7 -29.43 67.87 Favored 'General case' 0 N--CA 1.484 1.256 0 O-C-N 123.777 0.673 . . . . 73.42 112.19 177.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -69.47 -52.64 24.73 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.96 0.504 . . . . 74.11 110.067 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.432 HE21 ' N ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -80.3 -12.67 59.58 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-O 118.668 -0.682 . . . . 73.32 111.34 179.569 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.68 -56.58 6.97 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 124.439 1.096 . . . . 70.43 111.894 176.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.7 m -61.58 -37.21 77.36 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 CA-C-N 115.361 -0.836 . . . . 75.03 112.001 -178.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.9 m -71.96 -38.97 69.66 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.611 0.765 . . . . 74.44 111.408 -178.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -73.57 -46.15 49.12 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.059 0.944 . . . . 75.42 110.222 -175.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.583 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 78.9 mt -67.07 -39.6 86.89 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.73 -0.668 . . . . 74.12 110.014 178.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -60.43 -46.5 89.83 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 122.903 0.481 . . . . 70.02 111.397 176.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.2 p -63.53 -37.77 88.6 Favored 'General case' 0 C--O 1.25 1.109 0 C-N-CA 123.001 0.52 . . . . 72.31 110.819 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.8 mt -57.99 -47.52 86.43 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 C-N-CA 124.2 1.0 . . . . 73.51 111.026 171.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.583 ' HG2' ' O ' ' A' ' 41' ' ' LEU . 6.3 mm-40 -63.94 -48.93 74.57 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 122.701 0.401 . . . . 72.52 111.015 -176.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.8 t -65.5 -39.8 92.31 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 112.059 0.392 . . . . 74.31 112.059 -177.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 p -74.35 -32.52 31.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 CA-C-N 118.125 0.42 . . . . 73.32 111.368 -177.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.4 ' HE3' ' HA ' ' A' 1015 ' ' PHE . 49.1 ttm -80.1 -21.13 43.61 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.213 0.605 . . . . 73.45 110.534 179.245 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -79.73 -37.97 34.36 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 122.955 0.502 . . . . 73.14 110.283 172.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.817 ' HB2' HH12 ' A' ' 10' ' ' ARG . 14.5 mmmm -123.26 83.88 2.19 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.504 0.668 . . . . 73.04 109.461 -176.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.14 159.36 15.17 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 114.885 -1.052 . . . . 75.01 109.034 178.12 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 40.7 p -82.62 153.31 67.81 Favored Pre-proline 0 CA--C 1.55 0.943 0 N-CA-C 108.855 -0.795 . . . . 74.22 108.855 169.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -63.58 160.13 37.5 Favored 'Trans proline' 0 CA--C 1.557 1.628 0 C-N-CA 122.69 2.26 . . . . 75.1 112.948 173.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_exo -43.56 -45.64 10.48 Favored 'Trans proline' 0 C--N 1.384 2.413 0 C-N-CA 124.089 3.192 . . . . 74.24 113.802 171.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -67.82 77.0 0.21 Allowed Glycine 0 CA--C 1.532 1.116 0 O-C-N 123.655 0.597 . . . . 73.21 112.497 173.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.4 tp -124.16 141.63 43.69 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.864 0 C-N-CA 125.138 1.375 . . . . 75.41 107.909 -177.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.9 t -66.79 152.05 46.29 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.875 0.47 . . . . 72.32 111.624 -177.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.9 mtp-105 -64.15 -23.68 67.41 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 123.582 0.551 . . . . 74.34 112.073 -175.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.3 m -64.93 -59.66 3.93 Favored 'General case' 0 C--O 1.245 0.834 0 C-N-CA 122.566 0.347 . . . . 74.54 110.241 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.617 HG12 HD13 ' A' ' 8' ' ' ILE . 77.8 mt -61.5 -48.81 87.09 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 C-N-CA 123.486 0.714 . . . . 74.35 109.511 179.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -55.27 -44.01 75.23 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.866 0.867 . . . . 73.43 111.873 -178.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -71.02 -47.37 59.06 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 122.877 0.471 . . . . 75.03 111.444 -178.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 75.4 mtm -61.81 -47.53 84.71 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-O 120.88 0.372 . . . . 74.0 110.357 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 39.7 t -64.37 -36.29 76.75 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.929 0 C-N-CA 124.343 1.057 . . . . 74.2 111.1 176.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.46 -27.35 66.09 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 118.394 0.543 . . . . 52.04 111.248 177.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.75 -43.58 59.01 Favored Glycine 0 C--N 1.347 1.185 0 N-CA-C 111.153 -0.779 . . . . 73.44 111.153 171.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -67.69 -27.79 67.13 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.648 0.779 . . . . 75.15 111.323 176.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.479 ' HA ' HG22 ' A' ' 71' ' ' THR . 12.0 mt -75.85 -38.24 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.597 1.159 . . . . 74.25 109.651 178.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.16 -45.77 91.93 Favored 'General case' 0 C--N 1.351 0.631 0 N-CA-C 108.629 -0.878 . . . . 75.43 108.629 172.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -59.12 -54.84 42.46 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 123.979 0.799 . . . . 72.14 110.898 -178.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.479 HG22 ' HA ' ' A' ' 68' ' ' ILE . 8.9 t -61.69 -48.4 80.97 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-O 118.955 -0.545 . . . . 65.43 111.312 -176.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.2 mt -67.75 -38.84 84.03 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 112.761 0.652 . . . . 71.43 112.761 -176.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -73.76 -52.42 13.21 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.105 0.562 . . . . 73.23 110.273 -175.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -65.23 -34.14 77.65 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 115.1 -0.955 . . . . 75.4 111.104 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -75.39 -31.26 60.39 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.237 0.615 . . . . 73.43 111.437 176.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -65.02 -40.57 95.06 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-O 121.429 0.633 . . . . 72.23 109.685 175.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 80.2 mt -71.31 -37.96 71.76 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 115.016 -0.993 . . . . 74.13 111.061 176.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 35.6 mt -58.41 -41.81 85.77 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.233 0.613 . . . . 72.11 110.452 169.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.481 ' HE3' ' O ' ' A' 1009 ' ' LEU . 19.3 tptm -63.44 -50.27 70.43 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 124.383 1.073 . . . . 72.15 109.775 -175.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.97 -54.49 34.69 Favored Glycine 0 C--N 1.346 1.12 0 O-C-N 124.689 1.243 . . . . 72.13 112.818 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.491 HD22 ' HB2' ' A' ' 25' ' ' ALA . 9.7 tt -55.97 -57.79 10.62 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 123.863 0.865 . . . . 73.2 110.755 -178.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.471 HD12 ' HE1' ' A' 1008 ' ' TRP . 44.1 mt -65.2 -32.81 74.67 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.853 0.861 . . . . 74.22 112.334 -173.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -63.11 -49.83 72.87 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 109.682 -0.488 . . . . 74.44 109.682 173.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -65.67 -36.19 82.94 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 123.69 0.619 . . . . 74.22 111.839 -178.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.413 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 11.8 mmm180 -71.74 -48.0 49.99 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 122.792 0.437 . . . . 74.12 110.24 -177.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.522 HD11 ' HB3' ' A' 1005 ' ' LEU . 97.5 mt -63.74 -31.19 72.28 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 122.7 0.4 . . . . 75.24 111.359 176.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -58.84 -55.05 40.17 Favored 'General case' 0 C--O 1.249 1.046 0 C-N-CA 124.008 0.923 . . . . 72.23 109.848 173.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.509 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 42.0 mt-10 -57.85 -49.68 75.87 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-N 114.659 -1.155 . . . . 75.4 110.904 177.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 91.8 mt -57.42 -45.1 84.98 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 124.179 0.924 . . . . 74.45 111.638 -175.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.9 m -66.22 -34.96 79.19 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 122.804 0.441 . . . . 74.51 110.965 177.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.4 t -68.84 -31.2 70.0 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 122.705 0.402 . . . . 63.35 111.635 173.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 61.3 mt -73.68 -36.98 65.37 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.318 0.647 . . . . 62.32 110.355 179.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 78.0 mt -74.74 -31.36 26.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.141 0.977 . . . . 72.43 110.12 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 177.28 -80.53 0.07 OUTLIER Glycine 0 C--N 1.346 1.107 0 CA-C-N 116.044 -0.526 . . . . 71.55 112.021 174.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -135.5 126.97 28.65 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 123.844 0.858 . . . . 73.53 109.642 -177.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.9 p -81.04 122.16 35.76 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 N-CA-C 108.505 -0.924 . . . . 73.11 108.505 166.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.599 HD22 ' H ' ' A' ' 104' ' ' GLY . 25.3 tp -84.91 153.33 22.92 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 115.769 -0.65 . . . . 71.34 109.545 176.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -53.85 129.58 34.19 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.38 1.072 . . . . 75.53 111.057 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -59.21 145.2 43.66 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.774 0.829 . . . . 65.42 112.771 -171.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 151.43 -176.3 29.93 Favored Glycine 0 CA--C 1.524 0.615 0 CA-C-N 115.067 -0.969 . . . . 63.33 111.539 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -64.65 -27.64 60.8 Favored 'Trans proline' 0 C--N 1.366 1.453 0 C-N-CA 122.837 2.358 . . . . 62.52 112.018 174.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 54.6 p -87.95 -2.49 58.64 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.281 1.032 . . . . 75.44 112.284 -178.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.23 98.69 1.06 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.109 0.564 . . . . 72.53 110.264 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.599 ' H ' HD22 ' A' ' 97' ' ' LEU . . . -79.58 68.49 3.17 Favored Glycine 0 C--N 1.347 1.15 0 CA-C-N 115.947 -0.57 . . . . 74.31 112.468 177.135 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 59.9 mt -75.89 102.32 5.5 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 108.492 -0.929 . . . . 74.14 108.492 176.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 58.6 t 68.35 101.99 0.04 OUTLIER Pre-proline 0 CA--C 1.556 1.175 0 C-N-CA 124.842 1.257 . . . . 73.44 109.558 -169.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -78.06 33.87 0.47 Allowed 'Trans proline' 0 C--N 1.379 2.152 0 C-N-CA 123.935 3.09 . . . . 62.34 113.962 -175.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 22.5 ttm180 64.58 85.6 0.14 Allowed 'General case' 0 C--N 1.357 0.893 0 C-N-CA 124.899 1.28 . . . . 73.33 110.972 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -177.36 33.19 0.08 OUTLIER Glycine 0 C--N 1.345 1.035 0 CA-C-N 115.407 -0.815 . . . . 72.15 112.478 -178.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 59.3 m -157.21 107.59 2.26 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.09 0.956 . . . . 71.23 109.074 -178.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -71.07 143.75 36.69 Favored Glycine 0 C--N 1.354 1.566 0 O-C-N 123.141 0.276 . . . . 71.02 113.195 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.85 -56.04 4.65 Favored Glycine 0 C--N 1.349 1.291 0 N-CA-C 110.862 -0.895 . . . . 63.1 110.862 -175.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 69.1 mt -59.7 -31.22 46.64 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 C-N-CA 124.605 1.162 . . . . 71.43 110.209 169.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -52.61 -60.38 3.31 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.907 1.283 . . . . 74.13 111.303 178.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -61.67 -40.74 99.16 Favored Glycine 0 C--N 1.348 1.238 0 O-C-N 124.043 0.839 . . . . 53.23 112.364 178.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 58.5 ttp -56.63 -65.86 0.54 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.33 0.652 . . . . 72.34 111.223 -179.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 42.0 p -69.32 -46.04 68.05 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 118.999 -0.524 . . . . 71.03 111.719 -173.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 63.2 m -64.25 -48.58 75.23 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 118.094 0.406 . . . . 73.42 111.651 -176.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -68.62 -38.26 80.42 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-O 118.677 -0.677 . . . . 62.14 110.974 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1005 ' ' LEU . . . . . 0.522 ' HB3' HD11 ' A' ' 86' ' ' LEU . 40.5 mt -72.91 -32.87 65.63 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-O 118.904 -0.569 . . . . 74.05 112.427 -178.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 40.5 p -72.1 -40.95 67.83 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-N 118.999 0.818 . . . . 64.31 109.764 176.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -63.63 -35.97 82.29 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.669 0.787 . . . . 71.31 110.549 173.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1008 ' ' TRP . . . . . 0.596 ' HH2' HD11 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -66.57 -44.61 81.81 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.179 0.991 . . . . 72.43 109.732 176.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1009 ' ' LEU . . . . . 0.481 ' O ' ' HE3' ' A' ' 79' ' ' LYS . 91.2 mt -66.67 -38.06 86.06 Favored 'General case' 0 C--N 1.358 0.942 0 O-C-N 123.585 0.553 . . . . 73.32 110.605 -178.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 12.9 t -75.26 -23.94 57.55 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 118.489 0.586 . . . . 74.12 110.703 177.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -77.46 -27.53 52.11 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 122.879 0.472 . . . . 72.22 111.3 171.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1012 ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' 1008 ' ' TRP . 34.1 mt -72.06 -39.78 68.78 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 108.773 -0.825 . . . . 74.22 108.773 172.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 11.8 t70 -69.81 -35.61 74.95 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 114.944 -1.025 . . . . 73.45 109.967 -178.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 9.6 t30 -66.58 -46.94 74.34 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 115.272 -0.876 . . . . 75.34 110.535 174.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1015 ' ' PHE . . . . . 0.4 ' HA ' ' HE3' ' A' ' 48' ' ' MET . 54.5 t80 -57.38 -57.38 12.9 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 123.702 0.626 . . . . 72.41 109.876 177.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -42.36 -56.72 2.87 Favored 'General case' 0 CA--C 1.549 0.94 0 O-C-N 125.092 1.495 . . . . 73.13 112.277 174.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1017 ' ' ALA . . . . . 0.422 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -60.26 -60.07 4.4 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.478 0.711 . . . . 73.12 112.021 -178.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1018 ' ' LYS . . . . . 0.425 ' HD3' HD11 ' A' 1021 ' ' LEU . 32.0 mmtp -69.64 -29.18 66.59 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.642 0.777 . . . . 73.3 112.076 -170.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1019 ' ' MET . . . . . 0.573 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.1 OUTLIER -82.5 -26.8 32.21 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 110.395 -0.224 . . . . 71.25 110.395 179.67 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -71.77 -25.47 62.04 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.451 -0.34 . . . . 75.43 110.404 168.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1021 ' ' LEU . . . . . 0.425 HD11 ' HD3' ' A' 1018 ' ' LYS . 93.6 mt -75.36 -31.12 60.43 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 118.591 -0.718 . . . . 73.22 111.315 173.065 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1022 ' ' LEU . . . . . 0.573 ' HG ' ' HA ' ' A' 1019 ' ' MET . 85.4 mt -48.75 109.49 1.2 Allowed Pre-proline 0 N--CA 1.5 2.074 0 C-N-CA 123.183 0.593 . . . . 74.12 111.533 175.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -92.35 21.57 0.7 Allowed 'Trans proline' 0 C--N 1.375 1.951 0 C-N-CA 122.988 2.459 . . . . 72.1 111.385 176.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -88.19 -56.63 3.24 Favored 'General case' 0 C--N 1.343 0.309 0 C-N-CA 124.783 1.233 . . . . 72.14 111.14 -169.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1025 ' ' VAL . . . . . . . . . . . . . 33.9 t . . . . . 0 C--O 1.248 1.019 0 N-CA-C 108.54 -0.911 . . . . 73.43 108.54 -179.688 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.0 ptt? . . . . . 0 N--CA 1.487 1.395 0 N-CA-C 111.574 0.212 . . . . 73.23 111.574 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.4 m -60.37 -48.76 80.36 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 112.393 0.516 . . . . 75.24 112.393 -173.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.9 m -60.05 -42.66 94.95 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 123.479 0.487 . . . . 75.41 110.496 178.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 93.7 m -57.85 -47.84 81.52 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 124.699 1.2 . . . . 73.55 111.379 177.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 84.1 t -62.46 -58.14 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 123.194 0.598 . . . . 72.41 110.271 -178.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.491 ' HB3' ' NH2' ' A' ' 10' ' ' ARG . 48.9 mt-10 -55.05 -43.63 73.99 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.487 0.715 . . . . 75.23 111.59 -177.136 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -63.93 -60.05 3.75 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 114.844 -1.071 . . . . 74.45 110.788 -176.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.573 HD12 HG12 ' A' ' 60' ' ' ILE . 80.0 mt -65.31 -45.05 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 C-N-CA 123.565 0.746 . . . . 72.44 111.599 -175.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -66.2 -39.29 89.56 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.625 0.77 . . . . 75.33 111.537 -176.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.491 ' NH2' ' HB3' ' A' ' 6' ' ' GLU . 53.1 mtm180 -85.97 -23.36 26.93 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-O 118.574 -0.727 . . . . 74.15 112.42 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 15.6 m95 -64.53 -41.77 96.17 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-N 118.648 0.658 . . . . 72.22 109.225 167.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.44 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 65.1 tt0 -60.53 -46.64 89.42 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 114.907 -1.042 . . . . 73.24 109.889 174.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -59.33 -40.38 86.15 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 123.992 0.808 . . . . 74.42 111.072 -178.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 10' ' ' ARG . 96.4 mt -68.58 -38.3 78.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 123.893 0.877 . . . . 72.54 110.967 178.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.13 -43.1 93.01 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 121.299 0.571 . . . . 45.5 110.804 177.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.611 ' HA ' HE21 ' A' ' 19' ' ' GLN . 84.5 mt -62.8 -49.92 73.06 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.522 1.129 . . . . 75.3 110.057 178.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.9 mt -62.1 -44.45 96.62 Favored 'General case' 0 C--O 1.209 -1.055 0 CA-C-N 115.049 -0.978 . . . . 62.02 111.138 179.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 65.5 p -66.84 -43.57 83.34 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.546 0.338 . . . . 73.14 111.459 -174.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.611 HE21 ' HA ' ' A' ' 16' ' ' LEU . 29.9 pt20 -67.86 -38.26 82.88 Favored 'General case' 0 N--CA 1.484 1.242 0 O-C-N 123.165 0.291 . . . . 71.21 111.067 178.446 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.517 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 73.8 m -60.52 -60.3 4.02 Favored 'General case' 0 C--N 1.356 0.862 0 O-C-N 123.67 0.606 . . . . 63.04 109.935 175.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.586 HD13 ' HH2' ' A' 1008 ' ' TRP . 37.7 mt -56.31 -30.39 62.48 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.798 1.639 . . . . 74.3 111.75 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.472 HD22 ' HA ' ' A' ' 74' ' ' ASN . 53.5 tp -66.56 -51.0 61.25 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 123.7 0.625 . . . . 73.42 110.39 177.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -60.11 -39.66 86.96 Favored 'General case' 0 N--CA 1.484 1.227 0 O-C-N 123.929 0.768 . . . . 73.32 110.598 178.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 20' ' ' SER . 64.8 mt -63.2 -46.02 88.99 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 115.585 -0.734 . . . . 73.5 110.475 179.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.416 ' HB3' HD23 ' A' ' 81' ' ' LEU . . . -61.57 -39.04 89.73 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.527 0.731 . . . . 74.44 111.216 177.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -68.82 -25.77 64.84 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 115.469 -0.787 . . . . 72.32 111.661 176.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -93.03 -1.11 56.91 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 122.986 0.514 . . . . 74.02 112.178 173.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.5 13.94 82.93 Favored Glycine 0 CA--C 1.534 1.281 0 N-CA-C 114.262 0.465 . . . . 62.32 114.262 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -80.36 75.81 7.18 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.612 1.165 . . . . 72.45 110.092 -179.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.4 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 8.5 m95 -70.4 -33.9 71.92 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 122.931 0.492 . . . . 72.22 111.655 -172.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -58.69 -40.01 82.35 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.997 0.919 . . . . 73.24 111.714 -175.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.63 -31.6 71.73 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.345 -0.843 . . . . 73.22 110.894 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.5 mp -70.38 -38.8 74.79 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 122.671 0.389 . . . . 74.03 110.439 172.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 30' ' ' TRP . 75.9 mt -64.44 -34.38 78.07 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.241 0.617 . . . . 74.53 111.048 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -76.45 -56.98 4.13 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.387 1.075 . . . . 74.54 110.918 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.5 ' HB2' HD23 ' A' ' 21' ' ' LEU . 15.4 mt-30 -78.43 -8.24 58.27 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.573 1.149 . . . . 74.21 112.289 -173.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -43.8 -65.74 0.47 Allowed 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 125.095 1.358 . . . . 72.14 112.654 175.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.0 m -65.66 -26.18 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 O-C-N 123.396 0.435 . . . . 73.02 111.922 -173.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.8 m -71.2 -46.72 60.63 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.532 0.733 . . . . 75.15 110.592 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -61.82 -48.66 79.57 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.019 -0.991 . . . . 72.21 110.055 178.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 64.7 mt -71.64 -28.49 63.8 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 115.101 -0.954 . . . . 61.41 111.262 -176.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -67.91 -48.21 66.61 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.014 0.525 . . . . 74.3 110.018 175.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.5 t -61.71 -38.32 87.44 Favored 'General case' 0 CA--C 1.552 1.022 0 O-C-N 124.011 0.82 . . . . 74.01 109.928 179.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.6 mt -56.27 -51.79 59.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 124.775 1.23 . . . . 73.11 110.904 172.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -63.16 -45.49 91.61 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 114.655 -1.157 . . . . 74.22 110.976 -173.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.6 t -76.84 -32.88 57.85 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 115.497 -0.774 . . . . 63.45 112.458 -174.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.8 p -74.15 -35.41 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 CA-C-N 118.051 0.387 . . . . 71.24 110.198 178.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.458 ' SD ' ' HD2' ' A' 1018 ' ' LYS . 56.4 ttm -72.32 -30.1 64.45 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.48 -0.782 . . . . 74.45 109.871 177.361 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -69.3 -33.64 73.48 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 115.725 -0.67 . . . . 64.2 110.715 172.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -90.59 33.4 0.92 Allowed 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.852 0.861 . . . . 74.31 111.709 177.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -54.21 105.71 0.16 Allowed 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 123.597 0.759 . . . . 74.33 110.885 176.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 48.9 p -73.64 151.55 89.23 Favored Pre-proline 0 CA--C 1.552 1.052 0 C-N-CA 123.751 0.82 . . . . 73.21 111.064 -178.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -59.99 157.57 33.43 Favored 'Trans proline' 0 C--N 1.378 2.107 0 C-N-CA 123.026 2.484 . . . . 74.03 113.554 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_exo -45.9 -47.22 14.45 Favored 'Trans proline' 0 C--N 1.387 2.583 0 C-N-CA 124.493 3.462 . . . . 74.41 114.907 -176.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -69.37 80.68 0.29 Allowed Glycine 0 C--N 1.349 1.294 0 O-C-N 123.892 0.745 . . . . 73.35 113.263 -177.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.41 HG22 ' HB ' ' A' ' 60' ' ' ILE . 9.5 mm -103.17 126.16 57.53 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 C-N-CA 124.559 1.144 . . . . 72.21 109.334 178.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.8 t -68.57 171.98 6.83 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.488 1.115 . . . . 71.22 111.989 -177.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -51.5 68.55 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 125.145 1.378 . . . . 73.52 112.968 -173.143 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.4 m -60.12 -52.74 64.06 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 123.557 0.536 . . . . 64.44 111.211 -177.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.573 HG12 HD12 ' A' ' 8' ' ' ILE . 53.1 mt -62.52 -40.4 88.06 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 CA-C-N 115.584 -0.734 . . . . 75.4 110.185 -179.169 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -62.67 -52.47 63.2 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.756 0.422 . . . . 64.31 110.376 -177.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.61 -47.78 80.01 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.655 0.597 . . . . 74.45 111.214 -176.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 73.1 mtm -62.98 -60.17 3.82 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 123.349 0.405 . . . . 73.41 111.066 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.3 t -55.77 -44.75 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 123.765 0.826 . . . . 75.24 111.626 -178.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.59 -35.27 80.33 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 122.68 0.392 . . . . 74.11 111.406 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.85 -40.02 96.99 Favored Glycine 0 C--N 1.348 1.202 0 O-C-N 123.578 0.549 . . . . 71.45 112.148 175.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -73.21 -35.72 66.37 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.34 0.656 . . . . 72.53 110.658 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 37.6 mt -66.37 -44.95 90.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.246 1.018 . . . . 73.21 110.081 177.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -66.72 -40.6 88.47 Favored 'General case' 0 C--O 1.243 0.735 0 N-CA-C 109.223 -0.658 . . . . 75.25 109.223 -177.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -59.07 -56.12 26.27 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 114.509 -1.223 . . . . 74.35 110.46 176.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.413 ' OG1' HG21 ' A' ' 14' ' ' ILE . 10.2 t -70.51 -33.11 70.83 Favored 'General case' 0 C--O 1.211 -0.927 0 O-C-N 123.556 0.535 . . . . 74.2 112.086 -172.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.547 HD21 ' HG3' ' A' 1016 ' ' GLU . 51.7 mt -68.98 -40.36 78.86 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 118.149 0.431 . . . . 74.43 110.587 177.044 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -63.66 -52.64 59.83 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 123.5 0.5 . . . . 71.31 109.903 177.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.472 ' HA ' HD22 ' A' ' 22' ' ' LEU . 13.3 m120 -68.67 -35.84 77.74 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.256 -0.883 . . . . 72.54 111.747 -174.234 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.585 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 27.3 tt0 -78.95 -32.01 45.29 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 123.469 0.481 . . . . 73.43 111.153 -179.13 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -66.94 -39.84 87.43 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 109.212 -0.662 . . . . 72.43 109.212 175.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.4 mt -66.34 -35.23 79.84 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 114.845 -1.07 . . . . 74.33 110.874 171.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.585 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 7.9 mt -61.84 -65.06 0.75 Allowed 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.14 0.576 . . . . 74.13 110.191 176.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.525 ' HA ' HD22 ' A' 1009 ' ' LEU . 19.7 pttm -66.5 -26.72 67.3 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 112.526 0.565 . . . . 74.53 112.526 -174.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.78 -57.39 11.12 Favored Glycine 0 C--N 1.346 1.126 0 N-CA-C 112.19 -0.364 . . . . 73.42 112.19 172.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.495 ' O ' ' HG2' ' A' ' 85' ' ' ARG . 7.4 tt -58.63 -52.01 67.5 Favored 'General case' 0 C--O 1.212 -0.87 0 C-N-CA 123.483 0.713 . . . . 64.11 110.763 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.446 HD13 ' HE1' ' A' 1008 ' ' TRP . 48.7 mt -63.42 -36.1 82.6 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.512 1.125 . . . . 75.24 111.989 -176.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -62.11 -45.34 93.89 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 109.929 -0.397 . . . . 74.01 109.929 173.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -62.98 -39.54 95.02 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 124.019 0.824 . . . . 71.3 111.29 178.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.495 ' HG2' ' O ' ' A' ' 81' ' ' LEU . 31.6 mmm-85 -73.17 -47.19 45.85 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 109.863 -0.421 . . . . 74.44 109.863 -176.007 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.431 HD12 ' HB3' ' A' 1005 ' ' LEU . 96.3 mt -66.09 -25.78 67.17 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.359 0.664 . . . . 73.14 111.192 175.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.409 ' HA ' HG22 ' A' ' 96' ' ' VAL . 18.5 t70 -65.17 -48.19 74.38 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 108.873 -0.788 . . . . 74.15 108.873 174.375 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.534 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 50.0 mt-10 -59.03 -60.23 4.2 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 124.163 0.914 . . . . 73.44 110.374 175.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 96.2 mt -52.05 -50.35 61.67 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.212 1.405 . . . . 74.51 112.092 -176.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.3 m -67.76 -37.86 82.68 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 119.347 -0.358 . . . . 60.52 110.889 -178.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 43.7 t -59.68 -32.77 70.8 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 122.821 0.448 . . . . 62.41 110.917 174.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 45.6 mt -74.01 -48.65 28.7 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.137 0.575 . . . . 73.42 110.434 177.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 82.3 mt -77.39 -56.4 8.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.954 0.901 . . . . 72.5 112.261 -169.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.29 39.64 0.49 Allowed Glycine 0 C--N 1.353 1.526 0 C-N-CA 121.738 -0.268 . . . . 72.53 113.551 -175.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 65.77 136.62 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 126.085 1.754 . . . . 63.11 113.482 178.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.409 HG22 ' HA ' ' A' ' 87' ' ' ASP . 7.6 p -96.02 151.17 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.919 0.888 . . . . 73.22 109.998 175.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.9 mp -86.6 76.96 9.47 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 109.833 -0.432 . . . . 73.35 109.833 176.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 21.4 p90 44.56 -71.42 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.107 0 C-N-CA 127.202 2.201 . . . . 75.45 115.317 176.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 24.8 tm0? -155.83 105.84 2.42 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 106.9 -1.518 . . . . 70.32 106.9 175.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -174.33 82.08 0.08 OUTLIER Glycine 0 CA--C 1.531 1.055 0 N-CA-C 111.959 -0.456 . . . . 74.44 111.959 -176.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -66.61 -43.36 7.71 Favored 'Trans proline' 0 C--N 1.379 2.161 0 C-N-CA 122.953 2.435 . . . . 71.21 111.954 176.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.9 m -73.97 -15.14 61.12 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.905 0.882 . . . . 65.04 111.559 -179.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.91 -24.37 63.37 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 123.654 0.782 . . . . 71.41 111.504 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 86.54 127.91 2.26 Favored Glycine 0 C--N 1.353 1.496 0 N-CA-C 112.014 -0.435 . . . . 71.13 112.014 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 87.9 mt -119.4 151.67 38.12 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.115 0.566 . . . . 72.43 111.348 -174.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 58.3 t 61.56 90.86 0.08 OUTLIER Pre-proline 0 CA--C 1.559 1.308 0 C-N-CA 125.37 1.468 . . . . 74.45 110.543 -171.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -80.47 -4.71 13.14 Favored 'Trans proline' 0 C--N 1.377 2.073 0 C-N-CA 123.285 2.657 . . . . 63.32 113.932 -175.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -88.9 126.73 35.51 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.465 0.706 . . . . 74.41 110.201 -178.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -67.68 105.86 1.52 Allowed Glycine 0 CA--C 1.532 1.155 0 O-C-N 124.278 0.986 . . . . 52.24 112.776 177.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.425 ' O ' ' HB3' ' A' ' 114' ' ' GLU . 49.3 m -142.9 117.55 9.8 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.394 1.078 . . . . 72.34 109.447 -178.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -73.66 77.04 0.95 Allowed Glycine 0 C--N 1.347 1.14 0 C-N-CA 122.911 0.291 . . . . 75.13 113.292 -176.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 169.87 -79.83 0.1 OUTLIER Glycine 0 C--N 1.345 1.049 0 N-CA-C 111.794 -0.522 . . . . 70.25 111.794 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 66.5 mt -65.61 -53.24 41.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 123.661 0.785 . . . . 75.12 110.279 177.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.425 ' HB3' ' O ' ' A' ' 110' ' ' SER . 2.5 tm-20 -63.7 -33.46 75.69 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 123.819 0.699 . . . . 64.04 109.905 177.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -57.12 -47.72 85.34 Favored Glycine 0 C--N 1.35 1.351 0 N-CA-C 111.828 -0.509 . . . . 73.41 111.828 172.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 46.9 ttp -64.76 -48.72 73.51 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.398 1.079 . . . . 72.23 111.583 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 46.6 p -70.42 -42.04 72.13 Favored 'General case' 0 C--O 1.218 -0.57 0 C-N-CA 122.81 0.444 . . . . 53.4 110.996 -174.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 95.5 m -62.19 -45.51 93.06 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 122.983 0.513 . . . . 74.31 110.514 176.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 64.6 mtt-85 -55.49 -51.77 65.87 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 123.723 0.639 . . . . 64.12 110.78 174.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1005 ' ' LEU . . . . . 0.547 ' O ' ' HG ' ' A' 1009 ' ' LEU . 53.8 mt -68.64 -35.53 77.39 Favored 'General case' 0 C--O 1.21 -0.987 0 O-C-N 123.823 0.702 . . . . 72.35 112.258 -174.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 45.2 p -74.91 -38.51 61.81 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-N 118.94 0.791 . . . . 72.03 110.805 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -61.87 -39.07 90.63 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-O 121.648 0.737 . . . . 74.34 110.127 170.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1008 ' ' TRP . . . . . 0.586 ' HH2' HD13 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -65.64 -42.23 91.69 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 114.711 -1.131 . . . . 73.43 109.972 177.27 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1009 ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' 1005 ' ' LEU . 62.0 mt -70.45 -33.68 71.58 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 122.959 0.504 . . . . 74.33 111.437 -178.046 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 5.3 t -74.64 -30.27 61.56 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 109.857 -0.423 . . . . 74.24 109.857 176.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -72.91 -30.76 64.16 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.33 0.652 . . . . 75.33 111.238 173.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1012 ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' 1008 ' ' TRP . 20.4 mt -69.66 -46.09 66.91 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 121.456 0.646 . . . . 73.22 109.54 175.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 24.1 t70 -63.09 -37.99 89.4 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 114.93 -1.032 . . . . 73.4 110.283 177.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 6.2 t30 -64.33 -44.58 91.08 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.869 0.868 . . . . 61.12 111.046 176.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 40.8 t80 -62.02 -58.95 5.92 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 123.698 0.624 . . . . 72.52 109.821 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1016 ' ' GLU . . . . . 0.547 ' HG3' HD21 ' A' ' 72' ' ' LEU . 34.5 tt0 -54.78 -44.53 73.79 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 123.969 0.793 . . . . 74.22 111.684 -177.634 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1017 ' ' ALA . . . . . 0.414 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -63.97 -57.49 9.58 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.203 0.601 . . . . 62.11 111.729 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1018 ' ' LYS . . . . . 0.458 ' HD2' ' SD ' ' A' ' 48' ' ' MET . 1.0 OUTLIER -69.47 -33.01 72.28 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.808 0.843 . . . . 74.11 110.383 -173.174 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1019 ' ' MET . . . . . 0.589 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.1 OUTLIER -77.56 -25.57 50.18 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.948 -0.47 . . . . 75.23 110.21 179.23 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -69.55 -30.73 68.61 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 110.022 -0.362 . . . . 75.15 110.022 166.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1021 ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' 1017 ' ' ALA . 80.9 mt -72.78 -21.14 61.04 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.23 0.612 . . . . 70.22 111.721 174.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1022 ' ' LEU . . . . . 0.589 ' HG ' ' HA ' ' A' 1019 ' ' MET . 90.6 mt -53.18 113.78 5.14 Favored Pre-proline 0 N--CA 1.496 1.863 0 CA-C-N 118.009 0.368 . . . . 75.21 110.572 168.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -95.39 27.06 0.27 Allowed 'Trans proline' 0 C--N 1.377 2.069 0 C-N-CA 123.213 2.609 . . . . 73.21 112.953 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -119.86 -52.64 2.21 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.493 0.717 . . . . 61.24 110.065 -178.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1025 ' ' VAL . . . . . . . . . . . . . 15.5 m . . . . . 0 CA--C 1.557 1.247 0 C-N-CA 124.838 1.255 . . . . 64.42 109.292 179.401 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 119.643 -0.218 . . . . 74.13 110.436 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.3 m -53.78 -51.87 62.05 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.624 0.77 . . . . 70.24 112.912 -169.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.7 p -62.03 -42.0 98.7 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.802 0.441 . . . . 63.31 110.941 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 33.4 m -62.76 -58.39 7.62 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.817 1.247 . . . . 72.43 111.515 -177.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.8 p -61.87 -38.82 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 123.701 0.8 . . . . 65.13 110.857 -178.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -61.16 -50.11 74.49 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.724 0.809 . . . . 63.03 110.737 -179.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -65.96 -46.62 77.43 Favored 'General case' 0 CA--C 1.552 1.039 0 CA-C-N 114.653 -1.158 . . . . 73.11 111.469 -177.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 91.0 mt -68.96 -33.65 60.11 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 C-N-CA 124.322 1.049 . . . . 63.13 111.196 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -73.96 -32.52 63.5 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 122.916 0.486 . . . . 72.14 111.279 177.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.581 HH12 ' HD3' ' A' ' 50' ' ' LYS . 68.2 mtt180 -64.42 -51.63 62.19 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 109.853 -0.425 . . . . 73.33 109.853 172.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 54.4 m95 -61.5 -34.09 74.89 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 123.574 0.547 . . . . 75.45 111.772 176.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.432 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 60.7 tt0 -61.4 -50.09 74.27 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.321 0.648 . . . . 75.43 109.383 176.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -57.45 -46.47 83.59 Favored 'General case' 0 C--O 1.21 -0.995 0 O-C-N 124.219 0.949 . . . . 73.11 111.149 177.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.462 HG21 ' OG1' ' A' ' 71' ' ' THR . 77.6 mt -64.99 -38.02 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 123.27 0.628 . . . . 73.21 111.573 -176.251 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.18 -46.7 66.88 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 122.558 0.343 . . . . 74.4 111.167 177.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 84.5 mt -65.8 -39.9 91.38 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.357 0.663 . . . . 73.53 110.776 -179.375 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.3 mt -69.77 -49.48 52.53 Favored 'General case' 0 C--O 1.212 -0.896 0 C-N-CA 123.774 0.83 . . . . 73.41 110.148 -178.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.8 p -60.83 -36.76 79.92 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 118.15 0.432 . . . . 74.04 110.922 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -65.22 -49.36 70.0 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.486 0.715 . . . . 73.12 111.315 176.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.402 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 59.5 m -59.56 -55.74 30.66 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.741 0.816 . . . . 73.41 110.628 179.134 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.556 HD13 ' HH2' ' A' 1008 ' ' TRP . 66.9 mt -58.7 -31.8 68.57 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.12 1.368 . . . . 74.03 111.574 179.26 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.6 tp -65.41 -50.17 66.49 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 122.609 0.364 . . . . 73.43 110.535 175.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.464 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 48.4 mt-10 -55.76 -48.57 75.03 Favored 'General case' 0 N--CA 1.482 1.151 0 O-C-N 124.308 1.005 . . . . 74.24 109.949 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.435 HD23 ' HG2' ' A' ' 29' ' ' GLU . 64.9 mt -59.23 -47.54 84.98 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 114.369 -1.287 . . . . 64.44 110.854 179.503 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.447 ' HB2' HD21 ' A' ' 33' ' ' LEU . . . -64.11 -36.41 83.95 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.408 0.683 . . . . 71.23 111.745 -178.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -67.39 -38.8 85.28 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.264 0.626 . . . . 60.23 110.493 176.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 25.7 mmm180 -79.02 -14.39 59.21 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.076 0.55 . . . . 75.04 111.826 -179.148 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.0 7.27 58.69 Favored Glycine 0 N--CA 1.476 1.343 0 O-C-N 123.003 0.189 . . . . 71.13 113.391 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.435 ' HG2' HD23 ' A' ' 24' ' ' LEU . 10.6 tp10 -76.39 95.22 3.77 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.434 1.094 . . . . 74.5 110.986 176.197 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 29.1 m95 -90.39 -30.28 17.49 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 123.492 0.717 . . . . 72.34 112.692 -177.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -64.88 -39.44 93.54 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.624 0.77 . . . . 73.34 111.637 -172.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 81.8 mt -74.72 -21.33 59.43 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 116.503 -0.317 . . . . 74.21 111.316 178.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.447 HD21 ' HB2' ' A' ' 25' ' ' ALA . 10.4 mp -69.92 -45.54 67.31 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 109.352 -0.61 . . . . 74.24 109.352 170.281 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.62 -31.84 73.13 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 124.0 0.812 . . . . 74.55 111.379 177.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -76.73 -52.84 8.85 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 120.968 0.413 . . . . 74.34 110.922 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.496 ' HB2' HD22 ' A' ' 21' ' ' LEU . 14.7 mt-30 -78.78 -9.94 59.61 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.941 0.896 . . . . 75.31 112.618 -176.355 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.48 ' HG3' ' HE3' ' A' 1008 ' ' TRP . 34.5 tt0 -44.43 -51.74 8.4 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.629 1.172 . . . . 71.54 112.127 175.003 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.3 p -56.7 -45.12 82.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 O-C-N 123.833 0.708 . . . . 75.34 111.622 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.1 m -70.88 -40.06 72.47 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.509 0.724 . . . . 73.33 112.06 -174.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -69.93 -49.79 48.49 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.383 0.673 . . . . 75.31 110.676 -177.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.9 mt -68.16 -31.41 70.94 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 123.845 0.716 . . . . 74.23 110.968 -179.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -66.73 -44.31 81.89 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.054 0.542 . . . . 75.45 110.656 175.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.433 ' HA ' HG21 ' A' ' 46' ' ' THR . 9.2 t -67.02 -38.63 86.28 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.314 0.646 . . . . 75.23 110.235 -178.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.8 mt -58.02 -50.72 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.807 1.243 . . . . 74.35 110.53 172.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -63.78 -42.19 97.8 Favored 'General case' 0 C--N 1.345 0.411 0 CA-C-N 115.163 -0.926 . . . . 75.04 110.598 -175.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.433 HG21 ' HA ' ' A' ' 43' ' ' SER . 14.3 t -79.02 -25.75 43.25 Favored 'General case' 0 CA--C 1.548 0.868 0 O-C-N 123.359 0.412 . . . . 74.24 111.95 -174.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.5 p -79.5 -32.99 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 CA-C-N 118.558 0.617 . . . . 74.41 110.697 175.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.484 ' HE2' ' HA ' ' A' 1015 ' ' PHE . 23.7 ttm -75.94 -34.98 59.87 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.781 -0.645 . . . . 73.55 109.492 179.224 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -68.68 -30.76 69.51 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.219 -0.901 . . . . 73.35 110.297 171.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.581 ' HD3' HH12 ' A' ' 10' ' ' ARG . 53.4 tptt -69.05 84.97 0.34 Allowed 'General case' 0 C--O 1.244 0.799 0 N-CA-C 109.007 -0.738 . . . . 75.3 109.007 174.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -72.18 103.7 3.41 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 107.976 -1.12 . . . . 65.35 107.976 177.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.5 m -97.96 135.57 21.41 Favored Pre-proline 0 CA--C 1.544 0.721 0 CA-C-N 114.725 -1.125 . . . . 73.53 109.3 -175.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -59.04 155.41 39.34 Favored 'Trans proline' 0 C--N 1.378 2.13 0 C-N-CA 122.895 2.397 . . . . 63.33 113.264 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -51.56 -44.76 41.99 Favored 'Trans proline' 0 C--N 1.379 2.148 0 C-N-CA 123.919 3.079 . . . . 75.41 112.851 173.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -67.45 85.24 0.14 Allowed Glycine 0 C--N 1.346 1.135 0 CA-C-N 115.177 -0.919 . . . . 65.22 113.831 -178.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.504 HG22 ' HB ' ' A' ' 60' ' ' ILE . 9.3 mm -120.16 117.6 54.07 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 124.322 1.049 . . . . 73.42 108.775 175.234 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.0 t -61.79 161.11 10.71 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.095 0.958 . . . . 74.41 112.102 -178.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 -55.35 -30.78 60.95 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.393 1.077 . . . . 75.04 112.76 -176.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.1 m -66.45 -58.04 6.09 Favored 'General case' 0 C--O 1.248 1.002 0 C-N-CA 122.842 0.457 . . . . 73.33 111.19 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.504 ' HB ' HG22 ' A' ' 56' ' ' ILE . 62.6 mt -63.5 -42.56 96.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 115.502 -0.772 . . . . 74.53 109.329 -177.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.43 ' HB2' HG23 ' A' ' 56' ' ' ILE . 37.1 tt0 -61.13 -39.94 91.94 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.791 0.836 . . . . 72.53 111.066 178.418 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -63.19 -52.91 60.4 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.161 0.585 . . . . 71.1 110.858 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 69.2 mtm -67.79 -49.52 61.94 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 115.448 -0.796 . . . . 75.51 111.594 -175.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.7 t -59.83 -48.01 89.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 123.832 0.853 . . . . 64.32 111.105 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.494 ' HA ' ' HB ' ' A' ' 68' ' ' ILE . . . -66.5 -27.64 67.94 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 123.204 0.315 . . . . 75.33 111.293 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.36 -53.24 47.23 Favored Glycine 0 C--N 1.352 1.468 0 N-CA-C 111.494 -0.642 . . . . 64.01 111.494 171.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -60.17 -34.39 73.52 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 114.919 -0.64 . . . . 72.11 111.692 176.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.494 ' HB ' ' HA ' ' A' ' 65' ' ' ALA . 20.8 mt -64.26 -50.21 77.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.843 1.257 . . . . 74.03 111.044 179.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -66.37 -40.77 89.94 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 120.64 0.257 . . . . 73.24 110.51 -178.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -61.57 -50.59 72.0 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.427 -0.806 . . . . 75.11 110.915 177.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.462 ' OG1' HG21 ' A' ' 14' ' ' ILE . 6.3 t -73.68 -34.85 65.08 Favored 'General case' 0 C--O 1.213 -0.851 0 CA-C-O 119.236 -0.411 . . . . 72.02 111.827 -173.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.425 HD23 ' SD ' ' A' 1019 ' ' MET . 43.6 mt -67.66 -40.73 84.47 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 117.964 0.347 . . . . 75.11 110.645 177.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -63.53 -50.77 68.25 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.952 0.501 . . . . 74.55 110.807 176.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.407 ' N ' HD21 ' A' ' 74' ' ' ASN . 0.8 OUTLIER -73.11 -32.97 65.28 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 115.078 -0.965 . . . . 51.03 111.343 -172.275 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.457 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 30.1 tt0 -79.67 -28.42 40.74 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 122.975 0.51 . . . . 73.53 110.479 176.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -65.69 -39.56 91.39 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-O 121.205 0.526 . . . . 72.32 109.799 172.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.1 mt -69.25 -39.43 78.49 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 115.163 -0.926 . . . . 75.35 110.9 174.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.457 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 20.3 mt -60.07 -48.75 80.4 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.353 0.661 . . . . 73.41 110.922 172.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -65.59 -43.88 88.33 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.515 1.126 . . . . 62.5 109.98 -173.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.35 -50.62 55.0 Favored Glycine 0 C--N 1.345 1.049 0 CA-C-N 115.024 -0.989 . . . . 74.33 112.583 177.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.1 tt -61.71 -46.6 88.98 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.704 0.802 . . . . 65.21 111.041 -177.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 39.5 mt -76.67 -35.59 57.83 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.632 0.773 . . . . 74.2 111.801 -172.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 26.1 tp60 -67.89 -43.55 79.06 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 109.553 -0.536 . . . . 70.4 109.553 175.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.3 tm0? -58.81 -45.44 89.95 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.652 1.181 . . . . 72.22 110.52 175.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.8 -55.77 13.4 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 115.271 -0.877 . . . . 71.15 109.884 -174.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.463 HD11 ' HB3' ' A' 1005 ' ' LEU . 94.9 mt -60.79 -31.32 70.7 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.994 0.918 . . . . 74.12 111.693 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -60.4 -54.78 41.46 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.944 0.897 . . . . 74.14 109.88 175.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.479 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 57.9 mt-10 -64.33 -41.19 96.91 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 115.156 -0.929 . . . . 75.3 111.36 178.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 85.0 mt -58.56 -43.38 89.35 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.113 0.965 . . . . 75.14 110.703 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 67.4 m -70.18 -27.96 64.93 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.969 0.507 . . . . 73.4 111.017 177.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.3 m -73.5 -23.58 60.06 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 122.79 0.436 . . . . 75.45 111.57 170.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 47.4 mt -80.75 -38.07 29.33 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.062 0.545 . . . . 74.14 110.429 176.295 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 85.3 mt -72.52 -38.88 60.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 124.469 1.108 . . . . 64.22 109.706 178.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -165.52 -99.37 0.14 Allowed Glycine 0 C--N 1.336 0.577 0 N-CA-C 109.921 -1.272 . . . . 62.02 109.921 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -147.08 136.14 22.41 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 107.74 -1.207 . . . . 74.31 107.74 171.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.4 p -74.2 163.9 3.8 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.116 0 C-N-CA 123.132 0.573 . . . . 74.31 109.657 171.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 84.0 mt -87.09 40.36 0.91 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.136 0.575 . . . . 73.21 111.591 177.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 63.53 -80.94 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.592 1.557 . . . . 74.44 110.845 171.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -144.27 115.34 7.9 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 107.569 -1.271 . . . . 74.4 107.569 168.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -170.29 141.4 6.55 Favored Glycine 0 C--O 1.242 0.63 0 N-CA-C 111.136 -0.786 . . . . 73.11 111.136 -176.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -85.61 26.88 0.62 Allowed 'Trans proline' 0 C--N 1.372 1.79 0 C-N-CA 122.831 2.354 . . . . 71.24 112.999 -178.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.2 t -68.06 93.39 0.43 Allowed 'General case' 0 C--N 1.353 0.731 0 C-N-CA 123.483 0.713 . . . . 63.41 110.016 176.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -81.82 78.25 8.56 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 114.743 -1.117 . . . . 73.31 109.804 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 161.2 54.82 0.02 OUTLIER Glycine 0 C--N 1.342 0.863 0 CA-C-N 115.033 -0.985 . . . . 75.11 111.079 -177.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 92.6 mt -77.12 -36.34 55.54 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.289 0.636 . . . . 75.21 110.75 -179.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.46 HG12 ' HB3' ' A' ' 114' ' ' GLU . 37.4 t -114.36 111.51 46.91 Favored Pre-proline 0 CA--C 1.552 1.037 0 N-CA-C 107.96 -1.126 . . . . 71.32 107.96 175.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -85.79 178.38 4.33 Favored 'Trans proline' 0 C--N 1.377 2.04 0 C-N-CA 123.14 2.56 . . . . 63.51 113.646 -177.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 67.7 mtt85 -61.67 163.96 6.61 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.851 0.86 . . . . 74.1 112.141 175.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 101.26 31.98 5.4 Favored Glycine 0 C--N 1.342 0.87 0 CA-C-N 115.715 -0.675 . . . . 74.13 111.962 -177.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 77.7 p -161.91 -177.69 5.98 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.857 0.863 . . . . 71.24 109.883 178.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -70.52 -166.32 6.19 Favored Glycine 0 C--N 1.35 1.351 0 O-C-N 123.298 0.374 . . . . 62.13 113.458 174.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -70.65 8.35 4.37 Favored Glycine 0 N--CA 1.476 1.35 0 N-CA-C 116.347 1.299 . . . . 65.44 116.347 -169.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 16.2 tt -67.64 -38.67 80.84 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.052 0 C-N-CA 123.71 0.804 . . . . 74.12 110.512 175.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.46 ' HB3' HG12 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -70.07 -35.29 74.11 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 116.179 -0.464 . . . . 74.3 110.782 177.526 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -64.77 -44.2 95.13 Favored Glycine 0 C--N 1.345 1.029 0 O-C-N 123.995 0.809 . . . . 72.03 111.488 174.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 52.3 ttp -58.53 -50.45 73.74 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.791 0.837 . . . . 74.02 110.725 178.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 28.2 p -66.07 -47.72 73.35 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 123.576 0.548 . . . . 72.4 111.979 -176.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 65.2 p -70.11 -35.54 74.19 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 111.797 0.295 . . . . 74.43 111.797 -176.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 57.1 mtt-85 -63.92 -46.84 82.98 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.521 0.328 . . . . 74.13 110.154 174.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1005 ' ' LEU . . . . . 0.546 ' HA ' ' HB3' ' A' 1008 ' ' TRP . 41.8 mt -73.55 -28.21 61.74 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.625 0.602 . . . . 75.2 112.625 -177.263 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 35.0 p -73.25 -41.73 63.35 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 118.775 0.716 . . . . 74.42 109.733 175.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 56.1 ttt180 -64.88 -33.77 76.81 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.236 0.541 . . . . 75.53 110.154 174.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1008 ' ' TRP . . . . . 0.556 ' HH2' HD13 ' A' ' 21' ' ' LEU . 1.3 t-105 -62.96 -50.76 69.5 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.436 1.094 . . . . 75.14 109.982 175.043 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1009 ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' 1005 ' ' LEU . 98.7 mt -63.14 -37.84 88.81 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.272 0.629 . . . . 74.54 111.826 -177.282 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 13.4 t -76.24 -27.04 56.62 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 122.483 -0.136 . . . . 72.35 110.834 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -73.26 -30.58 63.54 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 122.57 0.348 . . . . 62.24 110.668 173.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1012 ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' 1008 ' ' TRP . 26.9 mt -68.3 -42.91 78.76 Favored 'General case' 0 C--N 1.356 0.854 0 C-N-CA 123.34 0.656 . . . . 73.33 109.3 174.219 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 29.6 t70 -66.21 -39.88 89.96 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.478 -0.783 . . . . 63.25 111.289 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 46.9 t30 -62.95 -46.12 89.24 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.487 0.715 . . . . 75.4 109.628 178.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1015 ' ' PHE . . . . . 0.484 ' HA ' ' HE2' ' A' ' 48' ' ' MET . 56.6 t80 -57.49 -62.5 1.74 Allowed 'General case' 0 C--N 1.357 0.904 0 O-C-N 123.943 0.777 . . . . 75.13 110.407 174.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -44.36 -53.62 6.61 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 126.267 1.827 . . . . 73.33 112.492 -177.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -68.96 -52.63 26.97 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.338 -0.846 . . . . 70.23 111.557 -176.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -63.38 -35.63 81.05 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 121.428 0.632 . . . . 73.14 111.279 -177.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1019 ' ' MET . . . . . 0.659 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.3 OUTLIER -80.77 -24.45 38.63 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.168 -0.469 . . . . 74.12 110.957 -176.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -69.22 -31.92 70.82 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.912 -0.403 . . . . 64.31 109.912 168.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 96.6 mt -71.99 -29.84 64.63 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 118.52 -0.752 . . . . 75.11 112.254 176.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1022 ' ' LEU . . . . . 0.659 ' HG ' ' HA ' ' A' 1019 ' ' MET . 85.7 mt -48.91 109.98 1.36 Allowed Pre-proline 0 N--CA 1.503 2.18 0 O-C-N 123.67 0.606 . . . . 74.22 111.957 174.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -101.22 3.66 0.61 Allowed 'Trans proline' 0 C--N 1.377 2.046 0 C-N-CA 123.366 2.711 . . . . 75.12 113.927 175.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -74.69 -47.73 29.94 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.196 0.599 . . . . 72.24 111.05 -176.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1025 ' ' VAL . . . . . . . . . . . . . 13.1 m . . . . . 0 C--O 1.249 1.074 0 CA-C-N 115.64 -0.709 . . . . 71.12 110.74 177.777 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.483 1.185 0 CA-C-O 119.257 -0.401 . . . . 74.31 111.884 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.4 m -56.83 -53.2 60.54 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.696 0.398 . . . . 72.53 110.836 -177.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 m -51.85 -46.89 64.58 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.003 0.921 . . . . 71.21 111.477 177.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 48.5 m -56.87 -58.92 6.04 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 114.203 -1.362 . . . . 73.53 111.662 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.2 t -62.27 -54.71 30.69 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.799 0 CA-C-N 115.486 -0.779 . . . . 74.02 109.817 -175.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -48.9 -51.38 30.29 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.77 0.828 . . . . 74.31 112.82 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -67.43 -54.01 24.04 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 115.496 -0.775 . . . . 73.31 111.623 -174.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.554 HD12 HG12 ' A' ' 60' ' ' ILE . 95.9 mt -63.84 -39.05 84.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 115.076 -0.965 . . . . 74.04 111.043 -177.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.497 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 0.8 OUTLIER -69.53 -40.02 77.16 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.301 0.64 . . . . 73.3 110.52 -178.158 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.464 ' O ' HG13 ' A' ' 14' ' ' ILE . 70.1 mtt85 -61.37 -54.17 47.21 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 123.538 0.524 . . . . 74.45 110.666 174.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -58.51 -33.11 69.48 Favored 'General case' 0 N--CA 1.484 1.229 0 O-C-N 123.656 0.598 . . . . 73.42 111.977 177.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.401 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 62.8 tt0 -63.07 -46.01 89.47 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.193 0.997 . . . . 71.22 109.905 176.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.497 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 71.1 mmt-85 -60.51 -46.02 91.67 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 123.727 0.642 . . . . 74.22 109.966 177.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 10' ' ' ARG . 64.3 mt -62.68 -39.24 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.038 0.935 . . . . 74.33 111.215 -176.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.47 -43.76 69.11 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 122.851 0.46 . . . . 73.24 111.047 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.517 ' HA ' HE21 ' A' ' 19' ' ' GLN . 96.0 mt -61.11 -45.9 92.8 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.77 0.828 . . . . 75.24 110.133 177.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 71.9 mt -65.53 -50.23 65.99 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-N 115.171 -0.922 . . . . 72.54 110.151 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.7 p -64.14 -37.65 88.22 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 112.43 0.53 . . . . 73.43 112.43 -175.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.517 HE21 ' HA ' ' A' ' 16' ' ' LEU . 27.6 pt20 -71.77 -41.43 68.37 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 123.101 0.25 . . . . 74.11 110.414 178.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.503 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 66.6 m -60.5 -46.11 91.31 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 123.535 0.522 . . . . 74.21 110.305 175.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.583 HD13 ' HH2' ' A' 1008 ' ' TRP . 61.8 mt -64.89 -35.26 80.56 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.63 1.172 . . . . 71.32 110.576 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.0 tp -63.59 -42.69 98.25 Favored 'General case' 0 C--N 1.347 0.495 0 N-CA-C 109.577 -0.527 . . . . 75.14 109.577 177.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.461 ' O ' ' HD3' ' A' ' 27' ' ' ARG . 6.0 mm-40 -61.8 -45.59 93.19 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 123.498 0.499 . . . . 74.24 110.945 176.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 20' ' ' SER . 60.6 mt -61.7 -42.25 98.69 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.798 0.839 . . . . 65.43 111.125 -179.155 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.441 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -71.59 -41.55 68.82 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.333 0.653 . . . . 73.1 111.71 -177.148 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -67.43 -35.05 78.47 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.497 -0.774 . . . . 73.44 111.338 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.461 ' HD3' ' O ' ' A' ' 23' ' ' GLU . 6.7 mpt_? -88.22 -21.56 24.46 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 122.638 0.375 . . . . 74.1 111.423 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.33 20.17 18.63 Favored Glycine 0 C--N 1.35 1.312 0 N-CA-C 115.553 0.981 . . . . 74.32 115.553 177.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -79.39 74.82 6.0 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-N 117.832 0.816 . . . . 73.3 109.808 166.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 33.5 m95 -68.47 -30.24 69.06 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.646 0.779 . . . . 75.4 109.849 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -59.69 -49.9 75.95 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 114.095 -1.411 . . . . 71.14 110.344 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.7 mt -75.37 -19.23 59.69 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 115.043 -0.981 . . . . 74.42 110.954 -177.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.74 -50.1 68.2 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 109.476 -0.564 . . . . 72.15 109.476 167.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 73.4 mt -68.39 -23.01 64.6 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 123.897 0.748 . . . . 73.41 111.741 -179.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -72.82 -59.06 2.89 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.48 0.712 . . . . 75.31 110.5 175.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.93 -11.16 59.91 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.0 0.52 . . . . 73.03 112.009 -178.305 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.401 ' HG3' ' CE3' ' A' 1008 ' ' TRP . 35.5 tt0 -45.43 -59.58 2.62 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.166 1.387 . . . . 73.41 112.67 178.323 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.5 m -60.72 -33.93 56.94 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 O-C-N 123.999 0.812 . . . . 73.05 111.669 -176.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.9 m -69.66 -39.52 76.99 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.946 0.899 . . . . 74.41 110.779 178.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -71.69 -44.6 63.94 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.516 -0.765 . . . . 72.25 110.448 -177.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 67.3 mt -71.26 -29.36 65.0 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.267 0.627 . . . . 75.41 110.696 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -66.75 -50.04 64.0 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 116.239 -0.437 . . . . 74.42 110.748 173.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.46 ' HA ' HG23 ' A' ' 46' ' ' THR . 66.2 p -64.21 -36.94 85.71 Favored 'General case' 0 CA--C 1.551 0.995 0 O-C-N 123.84 0.713 . . . . 74.33 110.751 -177.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.2 mt -57.58 -53.28 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 124.602 1.161 . . . . 72.43 110.858 171.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -63.93 -43.99 94.22 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.862 -0.608 . . . . 73.03 111.147 -174.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.46 HG23 ' HA ' ' A' ' 43' ' ' SER . 14.2 t -73.54 -29.75 62.65 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.334 0.653 . . . . 61.42 110.929 -175.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.424 ' HA ' ' HD3' ' A' ' 10' ' ' ARG . 2.3 p -78.45 -33.1 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 CA-C-N 118.122 0.419 . . . . 74.0 111.208 177.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.502 ' HE3' ' HA ' ' A' 1015 ' ' PHE . 34.5 ttm -74.04 -29.49 61.94 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 109.191 -0.67 . . . . 73.32 109.191 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -70.82 -34.76 72.05 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 115.709 -0.678 . . . . 72.21 110.385 167.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.423 ' HG3' ' HD2' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -71.73 89.77 1.04 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.273 0.629 . . . . 65.13 109.779 -179.168 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -96.33 110.26 22.62 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 108.801 -0.814 . . . . 74.35 108.801 175.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 p -76.3 152.78 83.99 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 122.964 0.506 . . . . 74.33 111.745 178.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -58.08 158.1 22.83 Favored 'Trans proline' 0 C--N 1.378 2.089 0 C-N-CA 123.216 2.611 . . . . 73.53 112.478 171.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -49.04 -47.23 22.4 Favored 'Trans proline' 0 C--N 1.387 2.557 0 C-N-CA 123.82 3.014 . . . . 75.12 113.17 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.5 88.8 0.07 OUTLIER Glycine 0 C--N 1.348 1.203 0 O-C-N 123.941 0.775 . . . . 73.12 113.673 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.419 HD13 HG23 ' A' ' 60' ' ' ILE . 16.1 mm -115.65 114.91 47.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.575 1.15 . . . . 72.44 108.783 173.297 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.9 t -72.25 158.91 34.97 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-N 114.5 -1.227 . . . . 74.15 110.825 176.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.1 mtp-105 -66.51 -21.46 66.17 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 112.657 0.614 . . . . 70.54 112.657 -172.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 64.5 p -67.45 -51.29 53.29 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 122.751 0.421 . . . . 71.31 109.949 177.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.554 HG12 HD12 ' A' ' 8' ' ' ILE . 57.0 mt -58.23 -51.23 73.72 Favored 'Isoleucine or valine' 0 C--N 1.362 1.115 0 O-C-N 123.865 0.728 . . . . 73.43 109.308 174.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -55.61 -41.33 73.31 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 124.302 1.002 . . . . 72.22 111.529 -176.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -73.39 -50.94 19.22 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.288 0.635 . . . . 64.34 111.52 -176.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.406 ' HE3' HD13 ' A' ' 8' ' ' ILE . 73.5 mtm -62.92 -45.81 90.75 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.559 0.343 . . . . 73.54 110.681 -178.267 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.0 t -62.81 -45.58 98.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 123.876 0.87 . . . . 73.44 111.036 177.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.26 -24.61 67.36 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-N 117.893 0.315 . . . . 64.53 111.245 177.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.59 -44.3 50.01 Favored Glycine 0 C--N 1.348 1.244 0 N-CA-C 111.308 -0.717 . . . . 63.14 111.308 173.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -69.05 -33.48 73.66 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.288 0.635 . . . . 73.12 111.042 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.405 HG22 ' HE2' ' A' 1019 ' ' MET . 22.3 mt -68.95 -47.77 73.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 124.681 1.193 . . . . 75.35 109.562 178.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -66.23 -40.28 90.16 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.035 -0.53 . . . . 75.23 109.952 -178.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -60.81 -53.51 56.42 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 124.449 1.093 . . . . 74.45 109.416 177.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.447 ' OG1' HG21 ' A' ' 14' ' ' ILE . 5.3 t -71.52 -33.66 69.4 Favored 'General case' 0 C--O 1.207 -1.161 0 CA-C-O 118.761 -0.637 . . . . 75.22 112.336 -172.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.424 HD21 ' SD ' ' A' 1019 ' ' MET . 34.0 mt -72.05 -39.4 69.09 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 118.291 0.496 . . . . 75.53 110.836 178.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -68.34 -46.06 71.2 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-O 121.498 0.666 . . . . 73.14 110.472 179.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.419 ' N ' HD21 ' A' ' 74' ' ' ASN . 0.8 OUTLIER -72.14 -38.01 69.3 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 114.843 -1.071 . . . . 74.22 110.607 -176.613 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.452 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 34.9 tt0 -71.66 -31.82 67.23 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 123.798 0.686 . . . . 51.52 110.332 175.31 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -58.17 -53.99 52.02 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 109.073 -0.714 . . . . 71.23 109.073 174.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.8 mt -60.46 -40.74 92.28 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.594 -1.185 . . . . 74.23 111.151 177.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.452 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 21.2 mt -56.1 -60.43 3.49 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.757 0.823 . . . . 75.15 111.554 174.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -70.49 -28.31 64.88 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.56 0.744 . . . . 74.21 111.597 -168.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.78 -47.64 19.54 Favored Glycine 0 C--N 1.349 1.282 0 O-C-N 123.578 0.549 . . . . 71.54 111.941 174.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.441 HD22 ' HB2' ' A' ' 25' ' ' ALA . 7.2 tt -58.27 -47.7 82.79 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.828 0.851 . . . . 73.21 110.283 176.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.442 HD12 ' HE1' ' A' 1008 ' ' TRP . 41.5 mt -72.25 -31.87 66.18 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.826 1.25 . . . . 74.11 111.489 -176.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -61.15 -53.73 53.33 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 109.867 -0.42 . . . . 74.42 109.867 173.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.403 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 8.6 tt0 -68.98 -32.48 72.08 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.217 -0.901 . . . . 71.4 111.144 -178.263 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.416 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 27.4 tpt180 -70.23 -47.08 63.0 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.713 0.405 . . . . 75.1 109.933 -179.251 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.524 HD13 ' HB3' ' A' 1005 ' ' LEU . 83.6 mt -63.54 -32.0 73.34 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 123.461 0.476 . . . . 71.41 110.663 175.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -62.23 -44.18 97.16 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.199 0.6 . . . . 71.3 110.352 174.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.525 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 46.3 mt-10 -60.27 -55.97 27.27 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.563 0.745 . . . . 72.52 110.204 175.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.495 HD13 HD21 ' A' ' 86' ' ' LEU . 74.0 mt -54.42 -44.01 72.04 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.686 1.195 . . . . 74.05 111.141 -178.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 70.4 m -68.23 -31.63 71.27 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.554 0.742 . . . . 71.14 111.595 179.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.1 t -72.17 -27.52 62.63 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 123.306 0.643 . . . . 64.32 110.602 173.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 44.0 mt -80.25 -38.72 30.39 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.14 0.576 . . . . 73.24 110.506 177.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 94.9 mt -71.53 -47.62 57.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 124.506 1.122 . . . . 73.2 109.573 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 158.99 -79.57 0.17 Allowed Glycine 0 C--N 1.338 0.642 0 CA-C-N 115.479 -0.782 . . . . 73.41 111.176 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -160.46 143.29 13.26 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.443 0.697 . . . . 74.5 110.498 -176.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.2 m -136.7 163.69 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 C-N-CA 124.18 0.992 . . . . 75.21 109.413 171.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 60.9 mt -138.32 127.37 24.11 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 108.832 -0.803 . . . . 73.54 108.832 169.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -66.99 -27.46 67.46 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.97 0.908 . . . . 72.11 111.118 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -97.68 132.2 43.54 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 108.409 -0.96 . . . . 75.33 108.409 168.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 76.12 84.17 0.43 Allowed Glycine 0 CA--C 1.532 1.135 0 CA-C-O 119.856 -0.413 . . . . 73.33 112.251 -177.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -71.67 -0.85 8.94 Favored 'Trans proline' 0 CA--C 1.56 1.785 0 C-N-CA 122.844 2.363 . . . . 64.31 113.965 177.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.5 t -74.64 -48.28 27.25 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.285 0.634 . . . . 75.41 110.387 178.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -107.69 70.81 0.79 Allowed 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 121.728 0.775 . . . . 73.43 109.672 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 145.29 -175.92 24.59 Favored Glycine 0 C--N 1.337 0.616 0 CA-C-N 114.704 -1.134 . . . . 73.2 111.834 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.475 HD23 HG22 ' A' 1006 ' ' THR . 85.2 mt 60.95 40.71 15.12 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.451 1.1 . . . . 74.32 111.09 178.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 58.9 t 61.34 70.48 0.9 Allowed Pre-proline 0 CA--C 1.562 1.422 0 C-N-CA 124.861 1.264 . . . . 70.34 111.344 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -86.46 107.89 0.83 Allowed 'Trans proline' 0 C--N 1.378 2.116 0 C-N-CA 122.884 2.389 . . . . 70.2 111.344 177.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 61.17 25.93 15.88 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.207 1.003 . . . . 73.52 111.624 -175.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -81.18 -159.31 22.53 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-N 115.984 -0.553 . . . . 42.1 112.779 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.446 ' HB3' HG12 ' A' ' 113' ' ' ILE . 32.8 t -67.25 137.53 56.22 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.018 0.527 . . . . 54.43 110.684 -177.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -65.28 -26.72 71.78 Favored Glycine 0 C--N 1.347 1.188 0 CA-C-N 115.779 -0.646 . . . . 73.42 114.192 -173.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -71.36 -52.83 11.6 Favored Glycine 0 C--N 1.348 1.245 0 CA-C-N 116.747 0.274 . . . . 75.22 112.491 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.446 HG12 ' HB3' ' A' ' 110' ' ' SER . 26.0 pt -68.6 -23.62 28.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 123.366 0.666 . . . . 74.53 111.82 -179.467 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -49.69 -51.81 35.67 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.966 0.907 . . . . 74.42 111.079 175.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -59.44 -55.5 30.28 Favored Glycine 0 C--N 1.355 1.639 0 CA-C-N 114.875 -1.057 . . . . 52.3 112.329 178.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 50.1 ttp -56.04 -48.91 75.11 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.857 0.863 . . . . 72.44 112.318 -177.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 33.7 p -71.53 -48.21 50.17 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 118.898 -0.572 . . . . 62.55 111.51 -174.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1003 ' ' THR . . . . . 0.403 ' O ' ' HG3' ' A' 1007 ' ' ARG . 5.4 t -63.22 -43.14 98.95 Favored 'General case' 0 C--N 1.359 1.014 0 CA-C-N 118.248 0.476 . . . . 75.24 110.047 -177.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 71.3 mtt-85 -60.82 -57.02 14.42 Favored 'General case' 0 C--N 1.357 0.899 0 CA-C-N 115.567 -0.742 . . . . 71.1 110.376 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1005 ' ' LEU . . . . . 0.591 ' HA ' ' HB3' ' A' 1008 ' ' TRP . 72.4 mt -67.27 -26.12 66.4 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.062 0.764 . . . . 65.11 113.062 -174.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1006 ' ' THR . . . . . 0.475 HG22 HD23 ' A' ' 105' ' ' LEU . 42.2 p -71.63 -48.95 44.47 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 118.951 0.796 . . . . 72.22 110.103 174.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1007 ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' 1003 ' ' THR . 34.8 mtt180 -61.5 -31.73 71.72 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-O 121.179 0.514 . . . . 74.35 110.373 175.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1008 ' ' TRP . . . . . 0.591 ' HB3' ' HA ' ' A' 1005 ' ' LEU . 4.1 t-105 -70.32 -45.81 65.47 Favored 'General case' 0 C--O 1.218 -0.597 0 C-N-CA 125.235 1.414 . . . . 73.11 111.055 -178.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1009 ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' 1005 ' ' LEU . 71.5 mt -71.05 -34.5 71.29 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 109.062 -0.718 . . . . 74.33 109.062 -177.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 84.5 m -59.62 -44.23 93.53 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 114.837 -1.074 . . . . 71.25 110.469 169.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -71.77 -28.95 63.97 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.701 0.8 . . . . 64.03 111.858 -178.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1012 ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' 1008 ' ' TRP . 22.8 mt -73.14 -41.09 64.34 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 109.267 -0.642 . . . . 73.4 109.267 178.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 29.2 t70 -73.98 -31.72 63.11 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 115.543 -0.753 . . . . 72.12 110.391 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 54.8 t30 -65.14 -46.42 81.02 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.021 0.928 . . . . 63.3 109.557 175.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1015 ' ' PHE . . . . . 0.502 ' HA ' ' HE3' ' A' ' 48' ' ' MET . 47.5 t80 -57.6 -62.02 2.09 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 114.699 -1.137 . . . . 74.34 110.188 174.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -49.62 -42.98 46.32 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 124.682 1.239 . . . . 75.33 111.847 -178.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -64.61 -63.4 1.14 Allowed 'General case' 0 C--N 1.348 0.528 0 O-C-N 123.816 0.697 . . . . 73.13 111.285 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 14.6 mptt -61.91 -34.03 75.32 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.579 0.352 . . . . 75.04 111.575 -176.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1019 ' ' MET . . . . . 0.643 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.1 OUTLIER -78.83 -32.25 46.1 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.486 -0.324 . . . . 75.33 110.528 -173.508 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -70.76 -31.1 67.78 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 120.842 0.354 . . . . 74.11 110.521 170.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 95.5 mt -82.6 -14.4 54.86 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-O 118.279 -0.867 . . . . 75.4 112.169 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1022 ' ' LEU . . . . . 0.643 ' HG ' ' HA ' ' A' 1019 ' ' MET . 45.4 mt -44.27 109.22 0.81 Allowed Pre-proline 0 N--CA 1.502 2.144 0 C-N-CA 123.57 0.748 . . . . 75.21 111.711 176.043 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.13 -15.72 22.93 Favored 'Trans proline' 0 C--N 1.375 1.924 0 C-N-CA 122.272 1.981 . . . . 72.25 112.108 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -71.73 -78.84 0.08 Allowed 'General case' 0 C--N 1.351 0.644 0 C-N-CA 123.659 0.783 . . . . 55.44 110.022 175.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1025 ' ' VAL . . . . . . . . . . . . . 49.8 t . . . . . 0 C--O 1.248 1.017 0 N-CA-C 107.458 -1.312 . . . . 73.52 107.458 -179.835 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 ppp? . . . . . 0 N--CA 1.482 1.147 0 N-CA-C 111.866 0.321 . . . . 73.22 111.866 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 t -63.51 -49.95 71.53 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 122.498 0.319 . . . . 72.35 110.72 -178.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.8 m -61.71 -35.1 77.08 Favored 'General case' 0 C--N 1.349 0.572 0 C-N-CA 123.267 0.627 . . . . 70.31 110.751 -178.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.9 m -61.82 -58.92 6.11 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.407 1.083 . . . . 74.21 111.57 176.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.7 p -64.33 -37.96 81.31 Favored 'Isoleucine or valine' 0 C--N 1.358 0.962 0 O-C-N 123.273 0.358 . . . . 75.34 110.78 -174.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -61.96 -59.25 5.39 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 109.431 -0.581 . . . . 74.31 109.431 177.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -48.62 -49.55 36.59 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.889 1.275 . . . . 74.34 111.724 -176.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.52 HD13 HG12 ' A' ' 60' ' ' ILE . 75.7 mt -69.46 -42.61 80.98 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.974 0 CA-C-N 115.341 -0.845 . . . . 74.44 111.45 -177.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.62 -24.93 61.13 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 122.772 0.429 . . . . 73.1 111.732 -179.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.449 ' NH1' ' HB2' ' A' ' 50' ' ' LYS . 77.9 mtt180 -77.36 -49.7 14.36 Favored 'General case' 0 C--O 1.219 -0.512 0 N-CA-C 108.657 -0.868 . . . . 75.33 108.657 178.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 53.8 m95 -58.32 -38.28 76.8 Favored 'General case' 0 N--CA 1.485 1.29 0 O-C-N 123.522 0.514 . . . . 73.51 110.99 173.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.402 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 62.8 tt0 -61.0 -50.58 72.82 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 123.987 0.805 . . . . 74.21 109.929 176.075 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -57.36 -44.15 84.1 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 124.466 1.104 . . . . 74.55 111.22 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 84.3 mt -69.13 -36.73 74.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.338 1.055 . . . . 73.15 110.647 -178.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.1 -43.92 90.53 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.026 0.53 . . . . 64.32 110.465 177.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.563 ' HA ' HE21 ' A' ' 19' ' ' GLN . 95.8 mt -63.92 -47.51 80.24 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 124.513 1.125 . . . . 73.25 110.351 178.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.5 mt -63.25 -42.79 99.21 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.702 0.801 . . . . 73.41 110.645 178.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.7 t -66.38 -45.85 78.65 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.226 0.611 . . . . 65.44 110.787 -174.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.563 HE21 ' HA ' ' A' ' 16' ' ' LEU . 30.2 pt20 -70.81 -35.24 72.42 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 123.456 0.472 . . . . 73.23 110.825 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.2 m -62.4 -54.81 34.79 Favored 'General case' 0 C--N 1.36 1.033 0 O-C-N 123.365 0.416 . . . . 74.31 110.045 176.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.648 HD22 ' HB2' ' A' ' 36' ' ' GLN . 93.6 mt -59.28 -32.22 69.82 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.718 1.207 . . . . 73.4 111.225 179.441 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.548 HD21 ' HA ' ' A' ' 74' ' ' ASN . 57.6 tp -66.3 -52.19 49.86 Favored 'General case' 0 C--N 1.35 0.587 0 C-N-CA 123.054 0.541 . . . . 64.5 111.109 176.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 32.6 mt-10 -55.61 -48.77 74.35 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 124.265 0.978 . . . . 73.45 109.751 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.544 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 93.4 mt -63.69 -35.91 82.11 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 114.275 -1.33 . . . . 74.14 111.402 -178.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.508 ' HB3' HD22 ' A' ' 81' ' ' LEU . . . -63.91 -43.28 96.44 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.113 0.565 . . . . 73.23 110.551 175.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -70.79 -22.38 62.37 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 114.961 -1.018 . . . . 74.13 111.739 176.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.5 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 29.3 mmt180 -84.54 -25.87 28.45 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.898 0.479 . . . . 74.03 111.004 174.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.21 18.44 36.51 Favored Glycine 0 C--N 1.351 1.416 0 N-CA-C 113.891 0.316 . . . . 72.25 113.891 -175.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.544 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 20.3 mm-40 -82.04 67.7 8.15 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.434 1.094 . . . . 72.3 110.779 177.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 40.8 m95 -66.33 -33.42 75.69 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.352 0.661 . . . . 73.45 111.701 -172.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -64.62 -40.53 95.64 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.55 0.74 . . . . 72.25 111.033 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.9 mt -67.57 -33.02 74.18 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 122.607 0.363 . . . . 73.35 110.549 178.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.635 ' HA ' HD21 ' A' ' 21' ' ' LEU . 11.2 mp -61.9 -48.8 78.83 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.926 0.49 . . . . 74.25 111.129 169.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.9 mt -67.39 -26.49 66.48 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.481 0.712 . . . . 75.31 112.037 -178.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -76.09 -58.12 3.47 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.682 0.793 . . . . 74.35 110.416 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.648 ' HB2' HD22 ' A' ' 21' ' ' LEU . 11.1 mt-30 -76.06 -10.0 59.06 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.419 1.088 . . . . 75.01 111.907 -178.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.412 ' HG3' ' CE3' ' A' 1008 ' ' TRP . 35.2 tt0 -44.92 -54.56 6.35 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.848 1.259 . . . . 71.34 111.779 171.434 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.2 p -57.84 -47.31 86.48 Favored 'Isoleucine or valine' 0 C--N 1.355 0.845 0 O-C-N 123.855 0.722 . . . . 70.25 110.761 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.8 m -61.8 -40.13 94.17 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.408 0.683 . . . . 72.35 111.508 -177.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -70.8 -49.2 49.02 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.132 0.973 . . . . 72.53 110.902 -176.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.2 mt -69.9 -33.98 72.91 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.014 0.525 . . . . 75.12 111.334 -176.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -72.3 -40.83 67.24 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 119.102 -0.475 . . . . 73.32 110.913 177.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 77.7 p -66.98 -35.75 80.66 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 122.595 0.358 . . . . 60.55 111.096 177.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.6 mt -57.8 -51.97 63.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 124.829 1.252 . . . . 73.44 110.518 171.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -63.88 -35.71 81.54 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 114.547 -1.206 . . . . 74.05 109.531 -177.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.99 -40.84 68.28 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.967 1.707 . . . . 71.43 112.453 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.3 p -75.46 -33.58 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 O-C-N 122.019 -0.426 . . . . 65.55 109.858 -177.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 35.4 ttm -73.96 -33.21 63.8 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.721 -0.672 . . . . 71.21 109.263 178.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -68.01 -29.36 68.34 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.701 0.8 . . . . 71.53 111.194 171.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.457 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -67.5 106.85 2.27 Favored 'General case' 0 C--N 1.356 0.882 0 C-N-CA 122.796 0.438 . . . . 74.41 110.514 179.564 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -94.27 105.01 17.0 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.53 -0.759 . . . . 74.22 109.848 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 24.6 p -95.68 152.34 39.07 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 124.072 0.949 . . . . 71.35 109.947 171.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_exo -61.76 155.18 55.75 Favored 'Trans proline' 0 C--N 1.379 2.166 0 C-N-CA 122.471 2.114 . . . . 73.52 112.346 176.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -52.75 -45.37 40.99 Favored 'Trans proline' 0 C--N 1.381 2.285 0 C-N-CA 123.712 2.941 . . . . 74.13 113.459 178.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -67.72 80.91 0.17 Allowed Glycine 0 C--N 1.346 1.118 0 O-C-N 123.907 0.754 . . . . 74.55 114.04 -178.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.559 HD11 HG21 ' A' ' 60' ' ' ILE . 23.0 mm -90.44 135.68 25.88 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 C-N-CA 124.211 1.004 . . . . 73.31 109.433 176.183 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.8 t -105.26 -179.84 4.06 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.187 0.995 . . . . 74.14 111.172 -169.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -42.89 -63.68 0.75 Allowed 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.941 1.696 . . . . 73.45 113.322 -173.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.3 m -64.74 -45.64 85.62 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 124.034 0.834 . . . . 75.23 111.742 -172.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.559 HG21 HD11 ' A' ' 56' ' ' ILE . 36.5 mt -60.77 -51.82 68.77 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 O-C-N 123.554 0.533 . . . . 75.2 109.925 -177.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -57.54 -49.69 75.54 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.513 0.725 . . . . 74.43 111.116 -178.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -64.95 -54.3 32.81 Favored 'General case' 0 C--O 1.248 0.981 0 O-C-N 123.879 0.737 . . . . 72.44 111.866 -174.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 73.9 mtm -61.85 -52.08 65.6 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.149 0.58 . . . . 73.04 111.064 -177.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.3 t -59.39 -44.92 93.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 123.333 0.653 . . . . 71.42 111.159 -179.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.47 -35.98 79.16 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 123.344 0.402 . . . . 74.01 111.253 178.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.71 -44.06 98.06 Favored Glycine 0 C--N 1.355 1.627 0 O-C-N 123.363 0.415 . . . . 74.53 112.301 173.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -70.12 -25.97 63.74 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.592 0.757 . . . . 75.13 111.375 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.511 HG12 ' HE2' ' A' 1019 ' ' MET . 30.6 mt -71.86 -45.69 63.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.389 1.076 . . . . 75.04 109.856 176.309 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -59.05 -42.43 90.3 Favored 'General case' 0 C--O 1.244 0.813 0 O-C-N 123.691 0.619 . . . . 73.22 110.078 175.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -59.17 -62.44 1.88 Allowed 'General case' 0 C--N 1.352 0.706 0 O-C-N 124.293 0.996 . . . . 61.11 110.489 176.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.8 t -63.67 -37.24 86.6 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 112.206 0.447 . . . . 62.43 112.206 -169.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.414 HD22 ' SD ' ' A' 1019 ' ' MET . 66.9 mt -75.75 -40.48 55.31 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 112.968 0.729 . . . . 75.44 112.968 -178.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -73.78 -40.89 63.11 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-N 118.511 0.596 . . . . 73.31 110.931 178.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.548 ' HA ' HD21 ' A' ' 22' ' ' LEU . 83.3 m-20 -64.32 -37.77 88.67 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.207 0.603 . . . . 73.11 110.239 177.051 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.492 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 16.3 tt0 -72.3 -35.71 68.75 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 123.423 0.452 . . . . 64.03 111.144 175.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -57.64 -48.24 80.0 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 121.637 0.732 . . . . 74.32 109.459 177.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.8 mt -70.74 -38.81 73.56 Favored 'General case' 0 CA--C 1.554 1.121 0 CA-C-N 114.134 -1.393 . . . . 74.41 111.372 178.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.492 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 5.0 mt -57.56 -61.59 2.4 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 124.083 0.953 . . . . 72.41 110.395 176.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.43 ' HG3' HD21 ' A' 1009 ' ' LEU . 33.9 ttpt -63.95 -35.64 81.33 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.803 1.641 . . . . 73.21 111.582 -174.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.73 -51.54 52.99 Favored Glycine 0 C--N 1.351 1.394 0 O-C-N 123.409 0.443 . . . . 73.03 112.129 173.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.508 HD22 ' HB3' ' A' ' 25' ' ' ALA . 9.7 tt -62.86 -42.38 99.73 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.217 1.007 . . . . 70.23 111.08 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.426 HD12 ' HE1' ' A' 1008 ' ' TRP . 23.2 mt -74.06 -36.8 64.38 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.928 0.891 . . . . 73.24 111.302 -174.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.62 -45.08 95.59 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 123.695 0.622 . . . . 71.25 109.524 172.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -61.09 -39.71 90.99 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.144 -0.935 . . . . 63.11 110.756 176.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -73.42 -35.78 65.87 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.501 0.72 . . . . 71.42 112.208 -177.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.1 mt -72.92 -36.07 67.17 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 110.082 -0.34 . . . . 73.32 110.082 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -66.86 -38.85 87.16 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 123.724 0.64 . . . . 64.14 110.658 173.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.518 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 43.1 tt0 -64.09 -47.94 78.09 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.592 0.757 . . . . 65.31 110.277 176.264 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 68.9 mt -56.63 -40.94 76.27 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.2 1.0 . . . . 74.31 110.817 177.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 70.8 m -61.4 -42.1 98.19 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.528 0.731 . . . . 72.43 111.23 176.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.5 m -66.1 -31.95 73.12 Favored 'General case' 0 CA--C 1.552 1.038 0 CA-C-N 115.916 -0.584 . . . . 75.14 111.727 177.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 35.5 mt -71.86 -39.84 69.41 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.421 0.688 . . . . 72.3 110.199 178.288 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 90.4 mt -62.73 -32.67 56.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 C-N-CA 124.611 1.164 . . . . 74.3 109.908 171.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 91.11 26.49 21.46 Favored Glycine 0 C--N 1.341 0.824 0 CA-C-N 115.024 -0.989 . . . . 70.35 112.619 176.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -138.46 161.94 35.73 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.151 0.98 . . . . 65.45 109.996 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 81.8 t -104.16 137.28 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 124.316 1.046 . . . . 73.42 110.062 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.627 ' HA ' ' HG ' ' A' ' 105' ' ' LEU . 50.2 tp -59.23 -46.58 88.08 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.76 0.824 . . . . 75.4 111.803 -177.243 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -98.91 100.91 12.15 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.669 0.747 . . . . 73.52 110.511 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.05 1.83 6.52 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.094 1.358 . . . . 71.14 109.57 176.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -162.29 155.16 26.36 Favored Glycine 0 C--N 1.342 0.909 0 N-CA-C 110.302 -1.119 . . . . 61.32 110.302 176.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -63.79 -28.17 67.99 Favored 'Trans proline' 0 C--N 1.375 1.952 0 C-N-CA 122.666 2.244 . . . . 74.42 112.555 -175.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 40.2 t -132.58 83.95 2.11 Favored 'General case' 0 C--O 1.242 0.697 0 N-CA-C 108.879 -0.786 . . . . 62.24 108.879 170.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -168.74 154.43 6.52 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.573 0.749 . . . . 74.51 111.007 178.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -137.9 -147.42 5.21 Favored Glycine 0 C--N 1.351 1.376 0 CA-C-N 115.992 -0.549 . . . . 61.24 112.141 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.627 ' HG ' ' HA ' ' A' ' 97' ' ' LEU . 55.3 mt -126.38 156.34 40.69 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.395 0.678 . . . . 75.32 111.084 178.583 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 27.7 m 34.32 58.9 2.12 Favored Pre-proline 0 CA--C 1.564 1.509 0 C-N-CA 127.098 2.159 . . . . 72.14 114.966 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -83.7 0.17 9.48 Favored 'Trans proline' 0 C--N 1.377 2.052 0 C-N-CA 122.486 2.124 . . . . 74.53 111.811 -178.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 -155.29 37.1 0.38 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.488 1.515 . . . . 75.03 108.804 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -75.06 -150.98 2.58 Favored Glycine 0 C--N 1.351 1.401 0 CA-C-N 115.275 -0.875 . . . . 71.33 113.884 -179.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 44.8 p -96.66 79.45 3.0 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 122.831 0.452 . . . . 64.13 111.807 -177.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 60.96 -91.57 0.06 OUTLIER Glycine 0 C--N 1.351 1.412 0 N-CA-C 115.46 0.944 . . . . 64.31 115.46 167.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -68.04 -22.89 74.42 Favored Glycine 0 C--N 1.352 1.448 0 N-CA-C 114.506 0.562 . . . . 75.25 114.506 -171.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 15.6 tt -71.98 -35.52 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 CA-C-N 117.017 0.409 . . . . 65.11 110.001 176.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -64.65 -43.75 92.63 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 123.445 0.698 . . . . 71.33 109.123 176.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -56.5 -58.33 14.9 Favored Glycine 0 C--N 1.352 1.472 0 O-C-N 124.235 0.96 . . . . 63.0 111.797 174.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 50.5 ttp -52.94 -52.42 58.01 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.462 1.105 . . . . 64.21 112.343 -178.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 36.1 p -67.47 -55.14 14.8 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.056 0.542 . . . . 75.03 111.642 -175.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 33.0 m -60.4 -44.85 95.29 Favored 'General case' 0 CA--C 1.549 0.94 0 O-C-N 123.462 0.476 . . . . 73.21 110.932 -175.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 56.8 mtt85 -57.77 -61.65 2.37 Favored 'General case' 0 C--N 1.354 0.785 0 O-C-N 124.102 0.876 . . . . 74.54 110.415 177.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1005 ' ' LEU . . . . . 0.523 ' O ' ' HG ' ' A' 1009 ' ' LEU . 63.5 mt -61.4 -36.91 81.62 Favored 'General case' 0 C--N 1.362 1.126 0 O-C-N 124.015 0.822 . . . . 62.21 112.761 -173.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 44.4 p -66.02 -49.87 66.2 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 118.231 0.469 . . . . 73.11 110.88 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 74.7 mtp85 -67.1 -25.45 66.22 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-O 120.8 0.333 . . . . 72.01 111.079 177.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1008 ' ' TRP . . . . . 0.49 ' O ' ' HG ' ' A' 1012 ' ' LEU . 0.1 OUTLIER -71.31 -42.6 68.43 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.619 1.167 . . . . 73.42 109.673 176.639 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 1009 ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' 1005 ' ' LEU . 89.4 mt -69.43 -33.06 72.4 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.765 -0.828 . . . . 74.33 108.765 -178.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 71.5 m -63.63 -44.48 93.77 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 114.735 -1.121 . . . . 73.54 111.288 173.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -70.32 -24.74 63.06 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.365 0.666 . . . . 72.33 111.284 176.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1012 ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' 1008 ' ' TRP . 31.6 mt -71.88 -45.65 60.58 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 123.172 0.589 . . . . 72.42 110.154 175.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -64.55 -36.35 83.92 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.147 0.579 . . . . 74.44 111.04 176.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 6.1 t30 -57.66 -54.15 50.18 Favored 'General case' 0 C--O 1.246 0.906 0 C-N-CA 124.55 1.14 . . . . 71.34 110.272 174.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 41.1 t80 -60.56 -61.92 2.24 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 114.559 -1.201 . . . . 75.41 110.55 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -43.22 -51.69 5.99 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 124.851 1.344 . . . . 65.14 112.128 178.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1017 ' ' ALA . . . . . 0.409 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -59.96 -61.81 2.33 Favored 'General case' 0 C--N 1.352 0.675 0 O-C-N 124.052 0.845 . . . . 73.12 111.284 -178.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -64.87 -35.37 80.9 Favored 'General case' 0 C--O 1.247 0.967 0 O-C-N 123.541 0.526 . . . . 73.04 112.299 -172.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1019 ' ' MET . . . . . 0.57 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.2 OUTLIER -81.48 -26.28 35.35 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 116.528 -0.305 . . . . 65.45 111.264 -175.08 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -77.06 -25.39 52.34 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 110.135 -0.32 . . . . 64.54 110.135 171.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1021 ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' 1017 ' ' ALA . 76.2 mt -83.06 -12.02 57.51 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 115.902 -0.59 . . . . 74.44 111.952 175.094 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1022 ' ' LEU . . . . . 0.57 ' HG ' ' HA ' ' A' 1019 ' ' MET . 93.7 mt -56.49 113.18 5.47 Favored Pre-proline 0 N--CA 1.492 1.674 0 CA-C-O 119.291 -0.385 . . . . 74.32 110.326 163.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -89.78 -6.54 4.93 Favored 'Trans proline' 0 C--N 1.375 1.937 0 C-N-CA 122.454 2.103 . . . . 72.45 113.037 175.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -70.56 -50.42 37.59 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.037 0.935 . . . . 72.41 110.545 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1025 ' ' VAL . . . . . . . . . . . . . 5.2 m . . . . . 0 C--O 1.249 1.077 0 CA-C-N 114.488 -1.233 . . . . 75.32 109.934 -174.583 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ptt? . . . . . 0 N--CA 1.479 0.991 0 CA-C-O 119.708 -0.187 . . . . 75.23 111.128 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.412 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 15.3 t -61.12 -37.85 84.25 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 122.955 0.502 . . . . 62.12 112.102 -172.446 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.5 m -65.58 -38.62 90.03 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.597 0.759 . . . . 73.53 110.648 178.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 52.2 m -64.45 -44.37 91.32 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 124.575 1.15 . . . . 71.45 111.107 175.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 89.6 t -65.91 -44.73 92.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 122.737 0.415 . . . . 72.43 110.085 -178.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 2' ' ' THR . 30.5 mm-40 -58.28 -49.79 75.91 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 123.303 0.377 . . . . 75.13 110.177 175.248 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -54.21 -59.16 5.04 Favored 'General case' 0 CA--C 1.557 1.237 0 C-N-CA 124.389 1.076 . . . . 75.41 111.495 -177.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 71.9 mt -63.24 -42.32 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 124.362 1.065 . . . . 75.33 111.44 -176.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.79 -29.39 62.16 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 122.94 0.496 . . . . 75.33 111.907 -175.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.499 ' O ' HG13 ' A' ' 14' ' ' ILE . 85.8 mtt180 -74.46 -41.87 60.05 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 109.607 -0.516 . . . . 73.52 109.607 176.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 67.3 m95 -62.94 -39.28 94.15 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 123.238 0.336 . . . . 75.5 111.112 174.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -61.54 -44.06 97.73 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.812 0.845 . . . . 74.13 109.837 174.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -60.82 -43.54 98.1 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.252 1.021 . . . . 71.3 110.781 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.532 HG21 ' OG1' ' A' ' 71' ' ' THR . 79.5 mt -70.06 -38.55 75.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 123.696 0.798 . . . . 72.14 110.651 -178.355 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.47 -46.81 81.48 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.131 0.572 . . . . 63.32 110.901 177.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.52 -45.29 93.67 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.358 -0.837 . . . . 74.12 110.814 177.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 40' ' ' TYR . 31.1 mt -60.68 -52.3 65.71 Favored 'General case' 0 C--O 1.213 -0.834 0 CA-C-N 116.05 -0.523 . . . . 74.53 110.41 179.34 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.6 p -63.15 -42.12 99.39 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.347 0.659 . . . . 64.51 112.314 -174.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.44 ' O ' ' HG3' ' A' ' 23' ' ' GLU . 13.8 pt20 -67.28 -40.55 86.14 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 123.413 0.446 . . . . 71.44 110.728 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.7 m -61.74 -50.45 72.36 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 123.468 0.48 . . . . 75.31 110.212 176.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.54 ' HA ' HD13 ' A' ' 24' ' ' LEU . 62.7 mt -58.6 -35.57 72.65 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.834 1.254 . . . . 73.44 111.024 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.8 tp -65.61 -51.45 59.58 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 123.7 0.625 . . . . 74.41 110.357 178.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 19' ' ' GLN . 44.1 mt-10 -59.82 -37.69 79.9 Favored 'General case' 0 N--CA 1.484 1.238 0 O-C-N 124.13 0.894 . . . . 75.41 111.001 -179.091 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.54 HD13 ' HA ' ' A' ' 21' ' ' LEU . 38.5 mt -64.64 -46.18 83.64 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 114.556 -1.202 . . . . 73.22 110.587 176.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.406 ' HB1' HD22 ' A' ' 33' ' ' LEU . . . -71.1 -31.98 68.48 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.387 0.675 . . . . 75.1 111.562 -178.4 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -68.35 -39.66 81.77 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.954 0.902 . . . . 63.34 110.302 175.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -85.78 -19.96 29.95 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 123.158 0.583 . . . . 74.24 110.954 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.06 11.03 47.26 Favored Glycine 0 C--N 1.349 1.28 0 N-CA-C 115.747 1.059 . . . . 75.03 115.747 177.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -77.86 91.28 4.13 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-N 118.729 1.265 . . . . 74.23 110.533 169.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 33.8 m95 -79.78 -13.53 59.37 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.778 0.831 . . . . 74.42 111.002 176.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -57.36 -59.85 4.51 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.067 1.347 . . . . 74.12 111.634 -177.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.516 ' HB2' HD12 ' A' ' 24' ' ' LEU . 69.5 mt -71.42 -16.43 62.39 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 114.974 -1.012 . . . . 75.52 111.381 -178.516 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.406 HD22 ' HB1' ' A' ' 25' ' ' ALA . 11.0 mp -66.0 -51.16 60.84 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 109.352 -0.61 . . . . 72.42 109.352 167.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.3 mt -69.61 -25.07 63.77 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 123.67 0.606 . . . . 74.33 111.967 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -80.33 -58.37 3.17 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 121.341 0.591 . . . . 71.21 109.863 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -73.44 -9.83 59.09 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.581 1.152 . . . . 74.22 112.0 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.407 ' HA ' ' CZ3' ' A' 1008 ' ' TRP . 42.1 tt0 -43.63 -57.66 3.05 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 124.855 1.262 . . . . 74.43 112.648 174.303 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.0 p -60.73 -37.12 75.14 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 O-C-N 123.659 0.599 . . . . 74.45 110.899 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.8 m -76.61 -30.43 56.94 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.737 0.815 . . . . 72.33 112.381 -175.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.456 ' HA ' HD12 ' A' ' 17' ' ' LEU . 34.7 t80 -77.66 -44.11 29.13 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 109.305 -0.628 . . . . 74.04 109.305 -179.336 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.0 mt -73.04 -26.63 61.37 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 115.779 -0.646 . . . . 62.23 110.834 178.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -69.65 -47.79 62.12 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.774 0.429 . . . . 73.34 110.336 173.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.415 ' HA ' HG23 ' A' ' 46' ' ' THR . 59.5 p -63.87 -40.14 95.85 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 122.889 0.476 . . . . 70.44 110.948 -179.037 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 25.8 mt -57.46 -52.79 52.52 Favored 'Isoleucine or valine' 0 C--O 1.248 1.016 0 C-N-CA 124.249 1.02 . . . . 71.33 110.436 173.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.31 -44.0 97.52 Favored 'General case' 0 C--N 1.347 0.491 0 CA-C-N 115.335 -0.848 . . . . 73.11 111.159 -175.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.475 HG22 ' HD3' ' A' ' 10' ' ' ARG . 12.1 t -75.97 -29.33 58.21 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 122.867 0.467 . . . . 74.4 111.86 -173.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 p -77.0 -36.67 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 CA-C-N 118.426 0.557 . . . . 75.2 110.035 177.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 52.5 ttm -74.27 -25.82 59.84 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 116.001 -0.545 . . . . 70.12 109.544 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -80.64 -25.26 38.45 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.968 0.907 . . . . 65.21 110.623 173.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.528 ' HA ' ' HE2' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -69.01 101.51 1.41 Allowed 'General case' 0 C--N 1.351 0.648 0 C-N-CA 122.806 0.442 . . . . 72.24 110.837 -177.213 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -61.09 120.76 10.91 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-N 115.569 -0.741 . . . . 72.14 109.483 173.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.1 m -98.23 138.51 20.88 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 124.216 1.006 . . . . 74.54 109.729 -175.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -54.33 152.47 25.66 Favored 'Trans proline' 0 C--N 1.382 2.297 0 C-N-CA 122.402 2.068 . . . . 75.0 112.346 171.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -61.74 -47.7 10.55 Favored 'Trans proline' 0 C--N 1.38 2.217 0 C-N-CA 123.106 2.537 . . . . 72.45 112.281 -177.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -73.27 75.13 0.99 Allowed Glycine 0 C--N 1.348 1.215 0 O-C-N 123.921 0.763 . . . . 45.52 113.536 -177.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.413 HG13 ' HB2' ' A' ' 61' ' ' GLN . 5.4 tp -79.92 98.99 3.51 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 C-N-CA 123.937 0.895 . . . . 75.52 108.671 175.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.421 HG23 HD13 ' A' ' 60' ' ' ILE . 10.5 t -81.34 172.81 13.12 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.922 0.489 . . . . 73.2 111.213 -174.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -66.74 -43.7 83.48 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.341 1.057 . . . . 74.24 112.579 -165.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.3 m -67.85 -43.77 78.71 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 122.729 0.412 . . . . 75.12 111.779 -177.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.421 HD13 HG23 ' A' ' 57' ' ' THR . 70.4 mt -60.92 -52.92 56.13 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 O-C-N 123.638 0.586 . . . . 75.32 109.442 176.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.413 ' HB2' HG13 ' A' ' 56' ' ' ILE . 52.6 tt0 -62.93 -31.35 72.41 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 123.896 0.748 . . . . 53.25 111.561 -177.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -68.65 -53.57 21.68 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.7 0.4 . . . . 71.04 110.307 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 74.7 mtm -61.34 -49.85 75.33 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 124.076 0.86 . . . . 72.55 110.602 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.3 t -58.69 -50.44 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 124.53 1.132 . . . . 72.13 111.192 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.63 -28.59 70.02 Favored 'General case' 0 N--CA 1.482 1.162 0 O-C-N 123.474 0.484 . . . . 75.34 111.036 178.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.5 -51.98 54.21 Favored Glycine 0 C--N 1.352 1.453 0 N-CA-C 111.043 -0.823 . . . . 65.31 111.043 172.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -64.03 -32.08 73.5 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.765 0.826 . . . . 75.33 111.329 178.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 53.4 mt -67.29 -49.89 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.361 1.065 . . . . 74.54 110.331 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.2 mmpt? -63.57 -41.52 98.38 Favored 'General case' 0 C--O 1.246 0.89 0 O-C-N 123.293 0.37 . . . . 73.51 110.463 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -59.17 -58.34 9.08 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 124.578 1.174 . . . . 72.21 110.011 176.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.532 ' OG1' HG21 ' A' ' 14' ' ' ILE . 6.5 t -65.25 -39.1 92.21 Favored 'General case' 0 C--O 1.214 -0.798 0 N-CA-C 112.217 0.451 . . . . 65.42 112.217 -170.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 68.8 mt -67.55 -35.4 78.99 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.131 0.572 . . . . 72.03 111.819 177.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -67.49 -50.77 57.46 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-O 120.847 0.356 . . . . 75.4 110.478 176.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -65.84 -36.61 83.96 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.778 0.831 . . . . 75.14 111.301 -178.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -73.69 -34.39 64.85 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.734 0.814 . . . . 65.12 110.56 178.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -61.85 -47.01 86.96 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-O 121.33 0.586 . . . . 72.21 109.854 174.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 81.9 mt -64.16 -41.74 97.03 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.799 -1.091 . . . . 73.11 110.566 177.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.4 mt -57.53 -45.87 84.52 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.899 0.88 . . . . 74.24 110.832 172.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.431 ' HA ' HD22 ' A' 1009 ' ' LEU . 82.8 tttt -62.02 -51.37 68.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.802 -1.09 . . . . 74.14 110.297 -172.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -69.74 -39.66 76.71 Favored Glycine 0 C--N 1.353 1.522 0 O-C-N 124.029 0.831 . . . . 74.42 112.864 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.3 tt -58.23 -61.57 2.47 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.107 0.963 . . . . 74.3 109.227 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.49 ' HB2' HD23 ' A' 1009 ' ' LEU . 27.1 mt -62.72 -33.13 74.5 Favored 'General case' 0 C--O 1.212 -0.876 0 C-N-CA 124.711 1.204 . . . . 72.25 111.777 -178.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -62.07 -50.07 73.44 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.794 0.438 . . . . 73.13 110.893 177.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -75.32 -24.48 57.41 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 123.304 0.377 . . . . 73.23 111.211 -178.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.6 mmp_? -72.55 -44.96 61.41 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 123.501 0.501 . . . . 65.1 109.903 175.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.407 HD13 ' HB3' ' A' 1005 ' ' LEU . 89.1 mt -68.74 -37.61 79.54 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.295 0.638 . . . . 74.31 110.792 179.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.72 -50.63 71.65 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 124.241 0.963 . . . . 71.13 109.791 176.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.465 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 36.7 tt0 -57.61 -56.87 16.36 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.302 -0.863 . . . . 75.24 111.207 175.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 82.4 mt -55.29 -44.21 75.51 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.684 1.194 . . . . 72.35 111.593 -178.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 92.2 p -71.27 -23.81 62.05 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 122.325 0.25 . . . . 73.2 110.948 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.3 t -77.39 -35.01 54.73 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 123.076 0.551 . . . . 73.4 111.396 171.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 46.5 mt -72.37 -43.53 63.86 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.546 0.689 . . . . 72.42 110.274 -178.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.475 HD12 HD12 ' A' ' 113' ' ' ILE . 82.3 mt -85.4 -42.65 16.38 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-N 114.108 -1.405 . . . . 71.25 109.986 -175.048 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -118.2 -110.89 2.49 Favored Glycine 0 C--N 1.349 1.265 0 N-CA-C 110.459 -1.056 . . . . 70.03 110.459 174.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -168.78 138.14 2.24 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.473 1.109 . . . . 70.02 109.047 175.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.431 HG13 ' HA2' ' A' ' 100' ' ' GLY . 43.0 t -96.96 128.1 48.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.771 0.829 . . . . 63.32 109.623 173.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.0 mp -89.13 -158.12 0.48 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.144 0.978 . . . . 74.45 109.53 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -54.29 -33.69 59.25 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.709 0.804 . . . . 75.51 110.946 169.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -119.24 136.44 54.21 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.817 1.247 . . . . 72.41 107.847 175.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.431 ' HA2' HG13 ' A' ' 96' ' ' VAL . . . -90.88 -121.55 2.46 Favored Glycine 0 C--N 1.348 1.217 0 CA-C-O 118.53 -1.15 . . . . 61.33 113.499 -172.209 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -64.62 81.39 0.17 Allowed 'Trans proline' 0 C--N 1.385 2.483 0 C-N-CA 123.451 2.767 . . . . 73.11 113.01 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.3 m -148.27 15.05 1.02 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.221 1.408 . . . . 73.22 109.327 176.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -157.57 169.97 23.46 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 124.518 1.127 . . . . 71.3 109.278 -177.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.88 82.97 0.95 Allowed Glycine 0 C--N 1.346 1.106 0 N-CA-C 112.041 -0.423 . . . . 54.32 112.041 177.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 78.9 mt -78.19 -19.35 54.05 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.829 0.851 . . . . 74.4 111.208 -179.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.1 p -141.97 77.14 18.77 Favored Pre-proline 0 CA--C 1.565 1.53 0 C-N-CA 124.545 1.138 . . . . 75.54 108.319 171.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -91.97 128.31 1.0 Allowed 'Trans proline' 0 C--N 1.383 2.356 0 C-N-CA 123.315 2.677 . . . . 73.02 113.029 -176.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.5 mtt180 -135.97 -40.27 0.68 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.81 0.844 . . . . 75.42 110.616 178.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 95.21 -11.42 69.14 Favored Glycine 0 C--N 1.35 1.307 0 CA-C-N 115.696 -0.684 . . . . 64.24 111.435 -170.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 30.0 t -175.35 105.17 0.08 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.536 1.535 . . . . 71.45 107.848 -178.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -164.35 157.64 30.04 Favored Glycine 0 C--N 1.35 1.332 0 CA-C-O 120.144 -0.253 . . . . 72.22 113.06 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -73.69 -48.39 17.5 Favored Glycine 0 C--N 1.352 1.463 0 C-N-CA 122.882 0.277 . . . . 71.51 112.914 -178.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.475 HD12 HD12 ' A' ' 93' ' ' ILE . 66.1 mt -66.69 -44.06 89.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 123.794 0.838 . . . . 73.54 110.309 176.252 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -58.3 -41.25 84.04 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.383 -0.826 . . . . 74.14 110.247 175.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -65.38 -41.63 96.41 Favored Glycine 0 C--N 1.344 1.007 0 CA-C-N 115.601 -0.727 . . . . 53.41 112.409 177.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 25.2 ttm -58.49 -49.56 76.9 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.946 0.898 . . . . 71.42 110.84 177.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 39.9 p -68.1 -45.69 73.0 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.175 -0.92 . . . . 74.5 111.047 -176.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 90.6 m -62.18 -42.11 98.97 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.103 0.561 . . . . 62.42 111.384 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 75.6 mtt-85 -57.64 -56.41 22.32 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 123.831 0.707 . . . . 74.14 110.077 175.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1005 ' ' LEU . . . . . 0.541 ' HA ' ' HB3' ' A' 1008 ' ' TRP . 63.3 mt -74.44 -24.27 59.05 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 124.077 0.861 . . . . 71.2 112.991 -170.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 38.6 p -77.32 -40.54 43.92 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-N 118.935 0.789 . . . . 71.23 110.058 174.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 23.6 tpt180 -62.83 -34.46 77.37 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-O 121.503 0.668 . . . . 73.44 110.084 172.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1008 ' ' TRP . . . . . 0.541 ' HB3' ' HA ' ' A' 1005 ' ' LEU . 9.4 t-105 -65.27 -52.3 55.21 Favored 'General case' 0 C--O 1.216 -0.66 0 C-N-CA 124.955 1.302 . . . . 75.4 109.671 175.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1009 ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' 1005 ' ' LEU . 92.1 mt -63.87 -33.83 76.58 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.183 0.593 . . . . 73.45 112.32 -176.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 13.8 t -78.57 -29.7 46.37 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 110.583 -0.154 . . . . 70.53 110.583 177.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -70.97 -32.45 69.31 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 122.773 0.429 . . . . 72.45 110.777 172.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1012 ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' 1008 ' ' TRP . 28.1 mt -67.88 -44.12 77.76 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 123.455 0.702 . . . . 64.31 109.142 174.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 21.9 t70 -63.56 -34.92 78.87 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.143 -0.935 . . . . 74.12 110.72 178.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 61.8 t30 -68.82 -44.71 72.93 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.575 0.75 . . . . 74.41 110.286 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 49.2 t80 -62.33 -60.09 4.06 Favored 'General case' 0 C--O 1.214 -0.797 0 O-C-N 123.746 0.654 . . . . 74.33 110.043 176.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -42.2 -57.47 2.51 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.98 1.712 . . . . 74.35 112.265 177.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1017 ' ' ALA . . . . . 0.45 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -62.77 -60.09 3.97 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.275 -0.875 . . . . 74.23 111.554 -177.366 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 20.4 tptm -67.06 -29.94 69.86 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 112.171 0.434 . . . . 70.42 112.171 -172.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1019 ' ' MET . . . . . 0.561 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.1 OUTLIER -78.1 -28.9 48.75 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 109.903 -0.406 . . . . 74.12 109.903 178.24 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -74.54 -15.38 60.86 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.405 0.282 . . . . 71.23 110.781 168.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1021 ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' 1017 ' ' ALA . 86.2 mt -89.02 -16.47 31.58 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.484 0.714 . . . . 73.12 111.756 171.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1022 ' ' LEU . . . . . 0.561 ' HG ' ' HA ' ' A' 1019 ' ' MET . 85.2 mt -53.67 113.21 4.57 Favored Pre-proline 0 N--CA 1.503 2.22 0 C-N-CA 123.039 0.535 . . . . 73.2 110.831 169.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -92.81 27.15 0.37 Allowed 'Trans proline' 0 C--N 1.376 2.002 0 C-N-CA 123.116 2.544 . . . . 74.34 113.288 -177.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -125.81 -33.4 2.72 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.317 0.647 . . . . 73.23 111.634 -173.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1025 ' ' VAL . . . . . . . . . . . . . 15.3 m . . . . . 0 N--CA 1.481 1.112 0 C-N-CA 124.475 1.11 . . . . 73.23 109.944 179.496 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ttt . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 119.687 -0.197 . . . . 73.32 110.8 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.7 p -55.27 -52.49 63.26 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.357 0.663 . . . . 63.22 112.365 -173.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.7 m -62.33 -41.13 98.32 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 123.407 0.683 . . . . 75.04 111.973 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 95.6 m -59.71 -57.29 13.55 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.051 0.94 . . . . 73.51 110.66 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 75.5 t -59.58 -52.42 61.18 Favored 'Isoleucine or valine' 0 C--N 1.348 0.512 0 CA-C-N 115.287 -0.87 . . . . 73.41 110.851 -176.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -64.35 -39.95 94.91 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 119.207 -0.425 . . . . 75.34 111.073 -174.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -61.54 -51.91 66.62 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.43 0.692 . . . . 74.12 111.116 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.483 HD11 ' HE3' ' A' ' 63' ' ' MET . 95.1 mt -67.44 -33.28 61.46 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 CA-C-N 115.047 -0.979 . . . . 74.52 111.076 -177.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.99 -24.83 37.72 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.508 0.723 . . . . 75.32 111.747 -179.151 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.481 ' O ' HG13 ' A' ' 14' ' ' ILE . 80.4 mtt180 -72.73 -44.86 61.13 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 108.797 -0.816 . . . . 63.55 108.797 172.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 37.3 m95 -60.46 -40.7 92.15 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 123.575 0.547 . . . . 72.21 111.194 173.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -65.16 -40.2 94.0 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.576 0.75 . . . . 73.21 110.311 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -62.01 -45.71 92.41 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 123.96 0.788 . . . . 75.34 110.272 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 10' ' ' ARG . 67.5 mt -63.75 -45.6 96.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 124.018 0.824 . . . . 72.04 110.874 178.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.57 -50.45 72.58 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.571 0.748 . . . . 73.31 111.59 -176.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.45 -41.94 96.24 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 123.992 0.808 . . . . 73.52 110.64 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.5 mt -62.74 -39.44 94.09 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.005 0.522 . . . . 73.14 110.874 175.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.9 t -69.58 -43.84 72.02 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.364 0.665 . . . . 72.3 110.786 -173.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -72.32 -34.48 68.11 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 123.405 0.44 . . . . 75.24 111.397 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.418 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 72.4 m -63.6 -52.56 60.37 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 122.576 0.35 . . . . 74.43 110.363 174.324 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.615 HD12 ' HH2' ' A' 1008 ' ' TRP . 80.4 mt -63.15 -28.76 70.28 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.155 0.982 . . . . 70.41 110.876 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.512 HD21 ' HA ' ' A' ' 74' ' ' ASN . 32.2 tp -66.47 -50.12 64.36 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 123.386 0.429 . . . . 74.22 110.345 175.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -52.49 -45.89 66.38 Favored 'General case' 0 N--CA 1.485 1.325 0 O-C-N 124.078 0.861 . . . . 75.11 110.047 176.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.564 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 82.1 mt -69.54 -35.0 75.02 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 113.847 -1.524 . . . . 74.22 112.087 -177.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.491 ' HB1' HD21 ' A' ' 81' ' ' LEU . . . -68.32 -38.73 81.85 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 122.88 0.472 . . . . 74.34 110.467 178.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -65.66 -38.82 90.39 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 115.28 -0.873 . . . . 74.31 110.202 175.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -76.04 -20.75 57.52 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.514 0.726 . . . . 74.35 112.282 177.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.49 23.59 53.39 Favored Glycine 0 C--N 1.339 0.736 0 CA-C-N 116.808 -0.178 . . . . 64.34 113.34 -178.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.564 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 23.1 mm-40 -76.47 75.54 3.21 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.501 1.12 . . . . 75.13 110.448 175.059 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 20.1 m95 -72.05 -35.19 69.25 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.06 0.544 . . . . 73.21 111.612 -173.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -63.81 -36.74 84.9 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.562 0.745 . . . . 74.31 110.666 -179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.0 mt -72.32 -37.47 68.92 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 123.233 0.613 . . . . 72.4 110.691 178.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.443 ' HA ' HD23 ' A' ' 21' ' ' LEU . 9.4 mp -61.04 -43.36 99.0 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 122.753 0.421 . . . . 74.23 110.815 172.341 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.6 mt -73.95 -27.55 61.06 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.051 0.94 . . . . 64.11 111.883 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -74.92 -49.32 20.62 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.697 0.799 . . . . 74.1 110.294 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.466 ' HB2' HD21 ' A' ' 21' ' ' LEU . 10.6 mt-30 -85.75 -9.96 56.29 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.044 0.938 . . . . 74.42 111.61 -176.345 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.452 ' HG3' ' HE3' ' A' 1008 ' ' TRP . 40.9 tt0 -44.44 -52.71 7.58 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.347 1.459 . . . . 73.45 112.446 173.048 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.9 p -53.4 -46.95 59.0 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 O-C-N 124.177 0.923 . . . . 64.41 111.32 178.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.3 m -68.77 -38.99 80.44 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.137 0.975 . . . . 73.34 111.985 -175.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -73.04 -49.73 27.07 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.485 0.714 . . . . 74.11 110.61 -174.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.0 mt -64.99 -37.93 89.29 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 123.906 0.754 . . . . 73.23 110.729 179.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -61.82 -45.7 92.72 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.282 0.633 . . . . 74.11 111.024 176.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.422 ' HA ' HG22 ' A' ' 46' ' ' THR . 8.9 t -66.03 -37.21 85.29 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 123.06 0.544 . . . . 74.0 110.735 -178.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 17.6 mt -59.64 -56.95 13.91 Favored 'Isoleucine or valine' 0 C--O 1.251 1.15 0 C-N-CA 124.659 1.183 . . . . 73.11 111.119 175.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -68.74 -29.94 68.45 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.739 -0.664 . . . . 74.32 111.002 -174.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.422 HG22 ' HA ' ' A' ' 43' ' ' SER . 6.7 t -79.28 -30.12 42.84 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 111.931 0.345 . . . . 74.43 111.931 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 p -75.83 -35.6 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-N 118.979 0.809 . . . . 73.45 110.014 176.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 41.9 ttm -73.58 -26.11 60.67 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 109.547 -0.538 . . . . 72.43 109.547 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -66.86 -37.57 84.69 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.229 1.012 . . . . 74.12 110.632 167.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.407 ' HB2' ' NH1' ' A' ' 10' ' ' ARG . 14.5 tppt? -79.8 91.42 5.33 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 121.453 0.644 . . . . 75.1 109.906 -174.063 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -81.51 131.66 35.29 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-N 114.531 -1.213 . . . . 74.35 109.14 174.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.9 p -110.16 151.82 42.78 Favored Pre-proline 0 C--O 1.241 0.615 0 C-N-CA 123.806 0.842 . . . . 72.21 109.29 174.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -53.92 154.2 17.96 Favored 'Trans proline' 0 C--N 1.378 2.12 0 C-N-CA 122.775 2.316 . . . . 74.1 113.024 176.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -51.52 -46.43 31.73 Favored 'Trans proline' 0 C--N 1.388 2.631 0 C-N-CA 124.024 3.149 . . . . 73.44 113.189 -175.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -72.51 85.9 0.52 Allowed Glycine 0 C--N 1.342 0.878 0 CA-C-N 114.911 -1.041 . . . . 75.44 112.847 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.464 HG22 ' HB2' ' A' ' 61' ' ' GLN . 9.6 mm -93.79 118.32 39.39 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 N-CA-C 108.933 -0.765 . . . . 72.24 108.933 172.134 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.6 t -73.56 173.79 9.2 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 123.965 0.906 . . . . 71.41 111.907 -175.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -53.75 -55.5 25.74 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.17 1.388 . . . . 73.22 112.863 -170.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.9 m -65.45 -44.15 88.15 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.236 0.614 . . . . 64.41 111.835 -173.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 65.7 mt -60.82 -51.16 76.39 Favored 'Isoleucine or valine' 0 C--N 1.358 0.938 0 N-CA-C 109.304 -0.628 . . . . 74.5 109.304 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.464 ' HB2' HG22 ' A' ' 56' ' ' ILE . 23.9 tm0? -57.54 -45.09 85.51 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 123.945 0.778 . . . . 73.04 110.744 -178.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -62.9 -54.56 36.78 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.86 0.864 . . . . 64.41 111.264 -176.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.483 ' HE3' HD11 ' A' ' 8' ' ' ILE . 78.3 mtm -62.03 -49.53 75.64 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 123.784 0.677 . . . . 75.31 110.787 -178.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.2 t -58.36 -44.69 88.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 123.858 0.863 . . . . 75.21 111.079 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.94 -30.9 71.55 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.451 0.701 . . . . 74.0 111.281 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.69 -47.27 85.33 Favored Glycine 0 C--N 1.35 1.317 0 N-CA-C 111.42 -0.672 . . . . 64.34 111.42 173.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -67.96 -33.48 74.73 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.61 0.764 . . . . 74.34 111.356 179.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.446 HG12 ' HE2' ' A' 1019 ' ' MET . 18.0 mt -65.57 -48.0 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 124.695 1.198 . . . . 71.24 109.654 177.206 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -63.06 -41.99 99.58 Favored 'General case' 0 C--O 1.246 0.911 0 C-N-CA 123.541 0.736 . . . . 74.31 110.19 -179.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -59.81 -58.71 7.41 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 115.213 -0.903 . . . . 73.2 110.195 176.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.1 t -65.95 -33.78 76.6 Favored 'General case' 0 C--O 1.206 -1.2 0 CA-C-O 119.002 -0.523 . . . . 75.45 111.894 -173.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.523 HD22 ' SD ' ' A' 1019 ' ' MET . 56.4 mt -67.84 -40.78 83.66 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 118.466 0.575 . . . . 75.13 111.386 177.574 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.42 ' O ' ' HB3' ' A' ' 76' ' ' GLN . 27.9 t70 -73.78 -47.24 40.33 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-O 121.578 0.704 . . . . 72.12 111.442 -179.257 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.512 ' HA ' HD21 ' A' ' 22' ' ' LEU . 15.0 m120 -69.41 -38.27 77.86 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.259 -0.882 . . . . 61.21 110.644 -176.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.679 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 34.9 tt0 -75.18 -32.24 61.2 Favored 'General case' 0 C--O 1.209 -1.072 0 O-C-N 123.439 0.462 . . . . 71.13 110.676 175.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.42 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 19.1 tt0 -52.22 -49.25 64.33 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 121.516 0.674 . . . . 72.53 109.713 170.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.4 mt -71.93 -31.65 66.55 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 114.745 -1.116 . . . . 74.33 111.711 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.679 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 11.0 mt -62.42 -65.53 0.68 Allowed 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 123.042 0.537 . . . . 73.15 111.093 175.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 19.7 pttp -70.2 -23.39 62.95 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.194 0.598 . . . . 75.12 112.038 -175.56 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.92 -50.66 45.46 Favored Glycine 0 C--N 1.348 1.198 0 N-CA-C 112.344 -0.302 . . . . 72.31 112.344 170.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.491 HD21 ' HB1' ' A' ' 25' ' ' ALA . 8.6 tt -65.82 -40.32 91.71 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.879 0.872 . . . . 71.25 110.993 179.513 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.442 HD12 ' HE1' ' A' 1008 ' ' TRP . 37.7 mt -79.72 -30.45 40.94 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.768 0.827 . . . . 75.11 111.961 -173.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -69.62 -43.63 72.31 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 108.726 -0.842 . . . . 75.01 108.726 170.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -59.24 -40.17 85.07 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 123.843 0.715 . . . . 75.22 109.89 174.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.528 ' HA ' ' HE ' ' A' ' 85' ' ' ARG . 0.1 OUTLIER -64.74 -56.78 11.5 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 123.623 0.769 . . . . 75.53 110.335 -177.095 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.52 HD11 ' HB3' ' A' 1005 ' ' LEU . 86.3 mt -69.61 -21.81 63.55 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 123.621 0.576 . . . . 75.01 112.114 -176.269 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -76.6 -43.39 38.76 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.111 0.564 . . . . 73.53 110.104 175.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.5 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 14.1 mm-40 -61.19 -48.56 80.98 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.153 0.581 . . . . 74.1 109.686 173.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 89.5 mt -59.08 -43.89 91.84 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 124.407 1.083 . . . . 74.33 110.979 178.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.1 t -61.84 -37.13 83.35 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.026 0.53 . . . . 73.34 110.752 177.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.3 t -73.78 -24.85 59.9 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 123.531 0.733 . . . . 72.13 111.408 176.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 52.0 mt -76.14 -33.22 59.39 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.158 0.583 . . . . 75.42 109.853 173.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 72.4 mt -87.82 -15.64 9.34 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 C-N-CA 124.725 1.21 . . . . 75.12 110.12 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.99 -106.88 0.01 OUTLIER Glycine 0 C--N 1.351 1.41 0 C-N-CA 124.093 0.854 . . . . 72.34 114.476 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 68.56 -68.0 0.19 Allowed 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 125.419 1.488 . . . . 65.13 110.285 -174.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.6 p -60.48 -36.06 67.16 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.211 0 C-N-CA 123.536 0.734 . . . . 73.41 109.796 166.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 60.7 tp -92.69 100.36 12.88 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 107.991 -1.115 . . . . 73.41 107.991 159.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -62.53 -59.06 5.47 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.664 0.786 . . . . 64.32 110.411 175.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.7 pm0 -172.36 155.23 3.45 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.708 1.203 . . . . 74.02 109.498 169.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 150.09 161.99 10.23 Favored Glycine 0 N--CA 1.468 0.767 0 CA-C-O 118.448 -1.196 . . . . 73.33 111.223 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -59.48 89.16 0.07 OUTLIER 'Trans proline' 0 C--N 1.376 2.013 0 C-N-CA 123.292 2.661 . . . . 71.11 113.067 -178.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.2 t -168.66 46.26 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 124.311 1.044 . . . . 73.12 108.877 -178.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.03 87.78 1.37 Allowed 'General case' 0 N--CA 1.478 0.968 0 CA-C-O 121.689 0.757 . . . . 73.34 111.286 -178.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 171.72 -76.37 0.1 OUTLIER Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 114.873 -1.058 . . . . 70.11 110.696 177.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.9 mt 69.72 -59.03 0.51 Allowed 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 125.914 1.686 . . . . 74.11 111.678 -175.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.6 t -63.16 112.33 6.7 Favored Pre-proline 0 CA--C 1.563 1.463 0 C-N-CA 124.705 1.202 . . . . 73.11 111.407 -176.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -89.56 -169.14 0.35 Allowed 'Trans proline' 0 C--N 1.378 2.094 0 C-N-CA 123.615 2.877 . . . . 73.24 113.674 -175.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.497 ' HA ' HG23 ' A' 1003 ' ' THR . 99.8 mtt180 -71.6 102.55 2.77 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 123.821 0.848 . . . . 73.35 110.794 -179.25 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -147.14 -169.59 14.75 Favored Glycine 0 C--N 1.337 0.628 0 N-CA-C 112.103 -0.399 . . . . 75.14 112.103 177.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 45.4 m -127.64 88.15 2.74 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.575 0.75 . . . . 71.44 109.58 -179.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -156.83 27.66 0.52 Allowed Glycine 0 C--N 1.344 1.011 0 CA-C-N 115.363 -0.835 . . . . 73.12 111.699 176.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 80.78 -70.56 3.02 Favored Glycine 0 C--N 1.357 1.697 0 C-N-CA 123.143 0.402 . . . . 73.13 113.156 178.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 16.3 tt -58.66 -32.12 45.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 124.819 1.247 . . . . 73.22 112.043 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -68.62 -44.26 74.62 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.81 0.844 . . . . 73.14 110.578 -177.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -72.46 -31.1 63.57 Favored Glycine 0 C--N 1.34 0.769 0 CA-C-N 115.244 -0.889 . . . . 74.23 112.026 178.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 47.1 ttp -63.52 -50.74 68.41 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 123.597 0.759 . . . . 71.23 110.048 176.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 25.2 p -65.73 -48.46 71.86 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 123.457 0.473 . . . . 52.44 111.076 -178.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1003 ' ' THR . . . . . 0.497 HG23 ' HA ' ' A' ' 108' ' ' ARG . 39.1 p -63.15 -45.19 93.04 Favored 'General case' 0 C--O 1.248 0.982 0 O-C-N 123.426 0.454 . . . . 73.54 112.053 -176.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -66.21 -44.07 84.94 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-O 118.949 -0.548 . . . . 74.11 110.809 178.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1005 ' ' LEU . . . . . 0.52 ' HB3' HD11 ' A' ' 86' ' ' LEU . 35.7 mt -70.51 -29.24 65.7 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 118.902 -0.57 . . . . 72.13 112.504 -178.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 41.2 p -73.28 -44.44 59.19 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 118.991 0.814 . . . . 74.21 110.446 176.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -57.48 -40.57 78.86 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.43 0.692 . . . . 70.14 110.364 171.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1008 ' ' TRP . . . . . 0.615 ' HH2' HD12 ' A' ' 21' ' ' LEU . 3.4 t-105 -61.49 -49.07 78.22 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 125.069 1.348 . . . . 74.3 110.142 177.439 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1009 ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' 1005 ' ' LEU . 63.6 mt -64.9 -40.76 95.59 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.045 0.538 . . . . 74.02 111.734 -176.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 14.7 t -72.04 -28.8 63.59 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 119.524 -0.274 . . . . 75.44 110.551 178.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -75.21 -30.01 60.47 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.195 0.598 . . . . 70.44 111.351 175.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1012 ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' 1008 ' ' TRP . 16.6 mt -72.42 -49.8 30.97 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 121.272 0.558 . . . . 73.1 110.066 177.357 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 19.6 t70 -62.16 -36.96 83.42 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 115.198 -0.91 . . . . 75.43 110.113 177.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 8.2 t30 -60.9 -46.17 91.71 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.065 0.946 . . . . 72.13 110.768 172.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 34.6 t80 -59.28 -61.22 2.79 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-O 119.151 -0.452 . . . . 74.34 109.896 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.05 -48.65 52.8 Favored 'General case' 0 C--O 1.248 1.02 0 C-N-CA 124.797 1.239 . . . . 75.02 112.039 -177.166 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -61.4 -60.29 3.96 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 115.278 -0.874 . . . . 54.04 111.811 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -67.43 -29.42 68.89 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.576 0.75 . . . . 74.43 111.369 -173.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1019 ' ' MET . . . . . 0.621 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.4 OUTLIER -80.85 -26.67 36.82 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 120.484 0.183 . . . . 74.41 110.657 -178.902 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -68.68 -32.96 73.16 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 110.043 -0.355 . . . . 65.3 110.043 166.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 91.0 mt -80.73 -12.35 59.48 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.553 0.741 . . . . 74.12 112.826 178.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1022 ' ' LEU . . . . . 0.621 ' HG ' ' HA ' ' A' 1019 ' ' MET . 57.6 mt -50.58 120.04 12.19 Favored Pre-proline 0 N--CA 1.494 1.764 0 C-N-CA 122.833 0.453 . . . . 73.22 111.553 169.369 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -83.58 -7.89 10.54 Favored 'Trans proline' 0 C--N 1.374 1.898 0 C-N-CA 122.762 2.308 . . . . 63.42 112.616 177.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -77.92 -30.26 50.47 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.799 0.84 . . . . 75.34 111.392 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1025 ' ' VAL . . . . . . . . . . . . . 1.5 m . . . . . 0 CA--C 1.559 1.3 0 C-N-CA 124.493 1.117 . . . . 64.42 109.298 -176.889 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ttt . . . . . 0 N--CA 1.488 1.463 0 N-CA-C 111.429 0.159 . . . . 75.54 111.429 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.5 m -56.64 -39.47 73.74 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.169 0.587 . . . . 74.14 111.536 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.8 m -63.02 -44.09 96.94 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.835 0.854 . . . . 74.32 110.938 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 87.2 m -55.32 -57.95 9.72 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.584 1.154 . . . . 64.0 110.839 176.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.9 t -60.64 -44.42 96.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 115.116 -0.947 . . . . 74.44 110.237 -175.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -56.32 -53.11 61.19 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.217 1.007 . . . . 73.42 110.725 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.516 ' HA ' HH21 ' A' ' 10' ' ' ARG . 10.7 t80 -64.88 -52.9 54.03 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 114.663 -1.153 . . . . 72.43 110.894 -171.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.442 HD11 HG12 ' A' ' 60' ' ' ILE . 82.4 mt -62.18 -45.75 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 O-C-N 124.139 0.899 . . . . 75.31 111.237 -177.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -65.58 -42.02 92.2 Favored 'General case' 0 N--CA 1.484 1.24 0 O-C-N 123.649 0.593 . . . . 64.14 111.251 -176.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.819 HH12 ' HB2' ' A' ' 50' ' ' LYS . 87.7 mtm180 -62.16 -54.35 42.37 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 123.41 0.444 . . . . 71.5 110.442 177.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 77.4 m95 -61.12 -33.03 72.74 Favored 'General case' 0 N--CA 1.483 1.177 0 O-C-N 123.705 0.628 . . . . 75.24 112.134 -178.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -65.08 -47.06 78.62 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.171 0.588 . . . . 74.31 109.71 177.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -60.39 -46.9 88.33 Favored 'General case' 0 C--N 1.355 0.821 0 O-C-N 123.886 0.741 . . . . 73.4 110.725 177.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 10' ' ' ARG . 79.9 mt -63.59 -38.91 83.5 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 123.761 0.824 . . . . 74.2 110.983 -176.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.17 -45.69 76.22 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.337 0.655 . . . . 72.22 111.14 178.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.1 mt -71.09 -32.84 69.57 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.0 0.52 . . . . 65.21 111.132 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.409 HD11 ' HA ' ' A' ' 40' ' ' TYR . 40.7 mt -66.64 -54.26 25.22 Favored 'General case' 0 C--O 1.213 -0.841 0 C-N-CA 123.282 0.633 . . . . 75.43 109.347 177.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.4 p -62.68 -35.51 79.92 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.489 0.716 . . . . 64.05 110.969 -177.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.411 ' HA ' ' OD1' ' A' ' 74' ' ' ASN . 31.6 tt0 -56.59 -63.09 1.31 Allowed 'General case' 0 C--O 1.249 1.032 0 C-N-CA 124.203 1.001 . . . . 64.12 110.982 173.461 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.471 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 57.3 m -52.83 -54.63 31.61 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 124.634 1.209 . . . . 73.22 110.456 179.181 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.57 HD23 ' HB2' ' A' ' 36' ' ' GLN . 82.1 mt -58.47 -36.19 73.34 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.831 1.252 . . . . 74.14 111.864 -177.287 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.558 HD22 ' HA ' ' A' ' 74' ' ' ASN . 43.6 tp -65.24 -49.46 69.56 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 109.98 -0.378 . . . . 72.3 109.98 177.078 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -59.86 -34.65 73.4 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 123.927 0.767 . . . . 75.33 110.447 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.527 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 92.4 mt -74.59 -32.03 62.23 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.971 0.908 . . . . 73.4 111.096 178.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.466 ' HB1' HD23 ' A' ' 81' ' ' LEU . . . -69.81 -38.13 76.49 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.098 0.559 . . . . 73.53 110.082 177.238 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -67.6 -36.97 81.86 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.236 -0.893 . . . . 71.05 110.411 174.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.1 mtp85 -74.08 -25.24 59.7 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.422 0.689 . . . . 72.44 112.066 177.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.13 24.13 52.95 Favored Glycine 0 C--N 1.339 0.731 0 O-C-N 123.215 0.322 . . . . 72.32 113.218 -175.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.527 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 52.5 mm-40 -77.56 68.08 3.59 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.683 0.793 . . . . 75.31 110.235 172.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 32.5 m95 -66.09 -30.37 70.86 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.154 0.582 . . . . 73.22 110.827 -173.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -69.25 -41.97 76.21 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.763 0.825 . . . . 70.32 110.678 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 71.8 mt -67.94 -32.35 72.72 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 122.896 0.478 . . . . 73.24 110.866 176.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.9 mt -62.81 -47.43 83.47 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.528 0.518 . . . . 74.41 110.21 173.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.9 mt -64.64 -38.17 90.1 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 124.149 0.906 . . . . 75.1 111.762 179.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -62.32 -56.18 20.9 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 121.808 0.813 . . . . 71.51 110.02 -179.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.57 ' HB2' HD23 ' A' ' 21' ' ' LEU . 14.1 mt-30 -83.46 -10.23 58.5 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 114.238 -1.346 . . . . 72.14 112.047 -174.135 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.27 -53.03 11.48 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.957 1.303 . . . . 74.14 111.022 174.252 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.488 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 72.0 t -52.34 -61.55 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.883 0 O-C-N 124.533 1.146 . . . . 72.21 109.627 178.231 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.8 m -50.45 -43.49 55.23 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 124.728 1.267 . . . . 75.45 112.01 -176.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.409 ' HA ' HD11 ' A' ' 17' ' ' LEU . 35.5 t80 -68.82 -47.32 66.35 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 123.947 0.779 . . . . 71.42 110.854 -175.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.542 HD13 ' HA ' ' A' 1008 ' ' TRP . 76.9 mt -71.93 -29.12 63.96 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 123.402 0.439 . . . . 73.25 111.983 -176.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 18.0 mm100 -76.63 -34.88 58.31 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 122.944 0.498 . . . . 74.24 110.069 177.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.6 m -64.81 -43.66 92.43 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.0 0.52 . . . . 62.24 110.354 173.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 25.6 mt -55.69 -49.8 71.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.695 1.198 . . . . 74.15 110.596 174.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -59.86 -55.76 30.17 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.107 -0.951 . . . . 64.02 110.377 -178.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.2 t -64.13 -31.08 72.15 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 123.857 0.723 . . . . 74.13 111.648 -173.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.537 ' HA ' ' NH1' ' A' ' 10' ' ' ARG . 1.9 p -75.72 -38.85 38.3 Favored 'Isoleucine or valine' 0 C--N 1.363 1.174 0 N-CA-C 110.473 -0.195 . . . . 72.11 110.473 179.42 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 42.1 ttm -79.29 -12.45 59.94 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.148 0.579 . . . . 75.42 110.827 -177.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -78.0 -34.87 50.57 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 112.048 0.388 . . . . 74.32 112.048 171.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.819 ' HB2' HH12 ' A' ' 10' ' ' ARG . 0.1 OUTLIER -121.44 99.98 6.77 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 109.911 -0.403 . . . . 73.33 109.911 -175.135 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -98.9 140.21 33.41 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.954 0.902 . . . . 74.05 109.226 -178.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.4 p -81.05 150.39 68.43 Favored Pre-proline 0 N--CA 1.48 1.072 0 CA-C-O 118.97 -0.538 . . . . 52.02 109.707 169.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -56.25 156.99 18.96 Favored 'Trans proline' 0 C--N 1.382 2.317 0 C-N-CA 123.212 2.608 . . . . 75.41 113.448 178.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -51.2 -45.75 35.13 Favored 'Trans proline' 0 C--N 1.389 2.659 0 C-N-CA 124.126 3.217 . . . . 71.43 113.226 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.42 71.34 1.81 Allowed Glycine 0 C--N 1.345 1.071 0 O-C-N 123.598 0.561 . . . . 74.12 112.404 175.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.459 HG22 ' HB2' ' A' ' 61' ' ' GLN . 8.3 tp -98.1 135.98 30.71 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 C-N-CA 124.166 0.987 . . . . 73.5 108.539 179.082 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.0 t -62.65 152.97 33.77 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 122.764 0.426 . . . . 64.12 111.855 -173.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -31.49 66.85 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.771 0.829 . . . . 74.13 112.375 -170.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.9 m -67.17 -57.78 6.09 Favored 'General case' 0 C--O 1.256 1.423 0 C-N-CA 123.45 0.7 . . . . 72.01 110.442 -177.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.442 HG12 HD11 ' A' ' 8' ' ' ILE . 65.7 mt -62.43 -47.45 92.96 Favored 'Isoleucine or valine' 0 C--N 1.36 1.03 0 CA-C-N 115.046 -0.979 . . . . 74.12 109.721 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.459 ' HB2' HG22 ' A' ' 56' ' ' ILE . 57.7 tt0 -59.08 -43.25 91.77 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 123.916 0.76 . . . . 74.31 111.281 -178.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -65.24 -52.09 56.77 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 123.396 0.435 . . . . 74.14 110.618 -177.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 58.8 mtm -61.74 -48.76 79.27 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.697 0.623 . . . . 73.24 110.804 -178.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.406 HG11 ' CE1' ' A' ' 7' ' ' PHE . 18.6 t -64.09 -41.03 91.18 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.823 0 C-N-CA 124.044 0.938 . . . . 73.11 111.441 -178.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.444 ' HA ' ' HB ' ' A' ' 68' ' ' ILE . . . -69.31 -29.33 67.15 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 122.843 0.457 . . . . 61.41 110.658 179.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.72 -41.15 93.93 Favored Glycine 0 C--N 1.347 1.17 0 N-CA-C 111.272 -0.731 . . . . 71.01 111.272 170.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -67.93 -33.8 75.37 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.793 0.837 . . . . 73.42 110.796 175.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.458 HG12 ' HE3' ' A' 1019 ' ' MET . 20.0 mt -68.7 -47.82 74.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 125.127 1.371 . . . . 74.53 109.714 -179.164 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -69.81 -37.73 76.37 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 123.683 0.614 . . . . 74.11 110.049 -178.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -60.43 -53.41 57.92 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 123.98 0.8 . . . . 73.3 110.061 175.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.426 ' OG1' HG22 ' A' ' 14' ' ' ILE . 5.9 t -71.66 -35.1 70.24 Favored 'General case' 0 C--O 1.203 -1.367 0 CA-C-O 118.926 -0.559 . . . . 63.0 111.412 -173.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.4 mt -67.86 -40.6 83.6 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 118.272 0.487 . . . . 73.13 110.924 178.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -64.92 -55.33 19.92 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.797 0.685 . . . . 73.44 110.081 177.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.558 ' HA ' HD22 ' A' ' 22' ' ' LEU . 0.8 OUTLIER -69.96 -31.4 69.11 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 114.864 -1.062 . . . . 74.14 111.48 -171.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -79.6 -37.88 35.24 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 123.47 0.481 . . . . 74.12 111.286 178.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -63.51 -35.85 81.84 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 109.417 -0.586 . . . . 73.12 109.417 175.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.6 mt -68.34 -40.94 81.39 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.418 0.687 . . . . 64.0 110.807 173.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.8 mt -58.06 -43.89 87.16 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.208 0.603 . . . . 74.45 110.85 171.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 83' ' ' GLN . 8.3 tmtt? -67.53 -46.3 73.23 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.252 1.021 . . . . 72.5 109.048 -172.393 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -72.88 -41.17 50.11 Favored Glycine 0 C--N 1.343 0.927 0 O-C-N 124.066 0.854 . . . . 55.11 113.112 -177.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.466 HD23 ' HB1' ' A' ' 25' ' ' ALA . 10.0 tt -64.02 -48.68 75.38 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.604 0.761 . . . . 75.23 109.711 179.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.451 ' HB2' HD21 ' A' 1009 ' ' LEU . 39.1 mt -77.07 -23.2 51.98 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.644 0.778 . . . . 65.53 111.813 -176.018 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.406 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 0.5 OUTLIER -65.91 -53.61 37.23 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 107.503 -1.295 . . . . 74.15 107.503 170.162 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.27 -37.02 76.6 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 124.648 1.218 . . . . 72.2 109.933 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -69.43 -55.51 10.09 Favored 'General case' 0 C--N 1.346 0.421 0 C-N-CA 123.961 0.904 . . . . 74.51 110.806 -176.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.514 HD13 ' HB3' ' A' 1005 ' ' LEU . 96.0 mt -66.17 -36.86 84.22 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.904 0.482 . . . . 72.02 111.043 -177.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -64.79 -45.03 88.01 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 124.338 1.024 . . . . 72.41 110.423 177.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.504 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 32.6 tt0 -63.06 -53.75 48.8 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 123.744 0.652 . . . . 71.12 110.036 178.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 92.6 mt -50.15 -52.92 31.29 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.476 1.11 . . . . 72.1 110.66 178.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 78.2 p -67.66 -26.11 66.04 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.283 0.633 . . . . 73.42 111.336 -178.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 45.0 t -72.99 -34.8 66.65 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.058 0.543 . . . . 75.13 110.711 174.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 35.7 mt -74.58 -45.65 43.89 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 122.971 0.509 . . . . 75.24 109.899 -178.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 42.7 mt -75.65 -38.48 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.352 1.061 . . . . 73.01 110.464 -176.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 101.62 31.87 5.33 Favored Glycine 0 C--N 1.348 1.203 0 CA-C-N 116.112 -0.495 . . . . 64.24 112.629 -177.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.613 ' HB3' ' HA ' ' A' ' 106' ' ' VAL . 93.5 mt-30 -92.01 -12.84 32.13 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.027 1.331 . . . . 62.23 112.087 177.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.8 m -66.82 141.56 17.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 122.977 0.511 . . . . 74.31 110.306 171.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -109.81 170.88 7.78 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.033 0.533 . . . . 73.12 109.598 172.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -80.15 -8.78 59.58 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.951 0.9 . . . . 73.43 111.824 -170.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -127.28 141.35 51.74 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.173 0.989 . . . . 73.55 109.068 176.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.15 129.44 4.79 Favored Glycine 0 CA--C 1.534 1.26 0 CA-C-O 119.163 -0.798 . . . . 71.51 112.941 176.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -73.51 -31.76 8.56 Favored 'Trans proline' 0 C--N 1.379 2.154 0 C-N-CA 122.594 2.196 . . . . 73.11 111.303 174.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.513 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 31.6 p -148.68 -76.07 0.17 Allowed 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 107.568 -1.271 . . . . 74.32 107.568 171.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 52.28 -83.09 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 124.657 1.183 . . . . 75.44 112.28 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -153.17 43.27 0.63 Allowed Glycine 0 C--N 1.347 1.139 0 N-CA-C 111.667 -0.573 . . . . 54.23 111.667 178.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 102' ' ' SER . 62.2 mt -69.98 174.78 4.96 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.167 0.587 . . . . 74.05 110.382 174.309 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.613 ' HA ' ' HB3' ' A' ' 95' ' ' GLN . 57.8 t 70.5 98.52 0.04 OUTLIER Pre-proline 0 N--CA 1.478 0.949 0 C-N-CA 124.764 1.226 . . . . 73.34 109.857 -173.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -62.12 113.47 1.9 Allowed 'Trans proline' 0 C--N 1.38 2.192 0 C-N-CA 122.814 2.342 . . . . 72.11 110.566 172.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -71.23 114.67 9.53 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.219 0.608 . . . . 73.53 111.378 -174.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -81.38 -98.9 0.4 Allowed Glycine 0 C--N 1.349 1.3 0 O-C-N 123.767 0.667 . . . . 73.33 111.843 176.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.9 p -161.17 91.87 0.88 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.018 0.527 . . . . 73.43 110.967 -177.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 71.68 -177.09 38.18 Favored Glycine 0 C--N 1.35 1.312 0 CA-C-N 115.812 -0.631 . . . . 60.21 113.982 176.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 64.9 -114.2 6.56 Favored Glycine 0 C--N 1.348 1.207 0 C-N-CA 123.143 0.401 . . . . 52.14 112.568 179.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 10.5 tt -62.76 -34.09 63.71 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 C-N-CA 123.514 0.726 . . . . 64.15 111.378 175.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.13 -48.97 79.48 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 123.344 0.658 . . . . 74.13 109.349 175.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -61.03 -44.47 98.15 Favored Glycine 0 C--N 1.351 1.37 0 O-C-N 124.307 1.004 . . . . 74.15 112.179 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 54.2 ttp -55.47 -53.68 53.29 Favored 'General case' 0 C--N 1.352 0.674 0 C-N-CA 123.943 0.897 . . . . 75.24 110.955 178.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 29.0 p -67.61 -48.31 67.15 Favored 'General case' 0 C--N 1.345 0.398 0 O-C-N 123.772 0.67 . . . . 74.32 111.657 -173.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 14.5 t -64.02 -40.23 95.87 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 123.156 0.285 . . . . 75.25 111.426 -177.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -69.94 -39.26 76.17 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 123.255 0.347 . . . . 75.14 110.728 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1005 ' ' LEU . . . . . 0.584 ' HA ' ' HB3' ' A' 1008 ' ' TRP . 39.4 mt -77.16 -22.78 51.97 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 118.684 -0.674 . . . . 73.11 112.664 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 27.8 p -78.92 -42.51 26.92 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-N 119.273 0.942 . . . . 74.54 109.834 175.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -57.36 -40.05 77.28 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 115.816 -0.629 . . . . 73.42 110.276 169.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1008 ' ' TRP . . . . . 0.584 ' HB3' ' HA ' ' A' 1005 ' ' LEU . 1.2 t-105 -61.16 -53.52 55.95 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 114.712 -1.131 . . . . 73.3 110.799 175.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1009 ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' 1005 ' ' LEU . 88.4 mt -62.29 -39.14 92.01 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.259 0.624 . . . . 75.53 111.469 -175.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 13.0 t -74.14 -30.05 62.1 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 122.888 0.117 . . . . 70.55 110.943 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -74.45 -29.41 61.46 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 122.83 0.452 . . . . 72.42 110.808 175.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1012 ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' 1008 ' ' TRP . 21.4 mt -69.1 -48.34 62.85 Favored 'General case' 0 C--N 1.359 0.986 0 N-CA-C 109.073 -0.714 . . . . 75.54 109.073 174.168 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 33.3 t70 -58.4 -40.7 83.14 Favored 'General case' 0 C--O 1.246 0.892 0 CA-C-N 114.561 -1.2 . . . . 74.33 110.148 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 8.0 t30 -62.7 -48.63 78.42 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.578 1.151 . . . . 74.43 110.823 176.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 67.2 t80 -60.28 -59.48 5.33 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 123.287 0.635 . . . . 74.4 110.235 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -46.63 -56.8 5.53 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.459 1.503 . . . . 74.24 110.737 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -61.29 -53.82 51.86 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 124.027 0.829 . . . . 71.54 111.85 -175.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -71.84 -25.06 61.82 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.274 0.629 . . . . 74.32 111.911 -173.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1019 ' ' MET . . . . . 0.586 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.6 OUTLIER -88.43 -19.3 26.72 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 110.501 -0.185 . . . . 74.45 110.501 179.133 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -75.49 -25.02 56.96 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 109.339 -0.615 . . . . 71.04 109.339 165.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 92.8 mt -75.08 -31.04 61.11 Favored 'General case' 0 C--N 1.358 0.971 0 CA-C-O 118.377 -0.82 . . . . 72.22 111.552 171.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1022 ' ' LEU . . . . . 0.586 ' HG ' ' HA ' ' A' 1019 ' ' MET . 61.0 mt -48.02 105.7 0.52 Allowed Pre-proline 0 N--CA 1.505 2.295 0 O-C-N 123.743 0.652 . . . . 74.43 111.958 174.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -96.77 15.46 0.8 Allowed 'Trans proline' 0 C--N 1.375 1.958 0 C-N-CA 123.048 2.498 . . . . 73.22 112.042 176.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -80.91 -66.0 0.94 Allowed 'General case' 0 C--N 1.35 0.615 0 C-N-CA 123.603 0.761 . . . . 72.15 110.09 -177.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1025 ' ' VAL . . . . . . . . . . . . . 39.1 t . . . . . 0 C--O 1.249 1.044 0 N-CA-C 108.827 -0.805 . . . . 65.01 108.827 -179.751 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ttt . . . . . 0 N--CA 1.481 1.101 0 CA-C-O 119.627 -0.225 . . . . 73.41 111.012 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.9 t -63.4 -39.52 94.73 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-N 118.425 0.557 . . . . 70.13 111.829 -174.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.8 p -67.08 -37.94 84.87 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.1 0.56 . . . . 74.13 111.13 176.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.1 m -59.59 -47.5 85.32 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.52 1.128 . . . . 64.34 110.784 174.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.8 t -64.32 -47.46 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 115.804 -0.635 . . . . 75.22 110.298 -178.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -52.1 -59.92 3.81 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 123.862 0.726 . . . . 75.25 110.175 176.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.65 ' HZ ' HG21 ' A' 1025 ' ' VAL . 27.8 t80 -58.62 -59.2 5.77 Favored 'General case' 0 CA--C 1.556 1.208 0 CA-C-N 114.994 -1.003 . . . . 72.31 111.82 -172.074 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.582 HD11 HG12 ' A' ' 60' ' ' ILE . 71.0 mt -63.42 -47.73 90.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 123.588 0.755 . . . . 74.34 111.607 -175.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.452 ' N ' HD21 ' A' ' 9' ' ' ASN . 0.7 OUTLIER -72.15 -30.49 65.06 Favored 'General case' 0 N--CA 1.485 1.308 0 O-C-N 123.31 0.381 . . . . 63.22 111.554 -172.475 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.506 ' O ' HG13 ' A' ' 14' ' ' ILE . 95.2 mtt180 -71.57 -46.62 58.89 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 119.185 -0.436 . . . . 75.54 110.235 174.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 59.5 m95 -59.75 -37.51 79.19 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-O 120.769 0.319 . . . . 75.1 111.356 175.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -66.21 -41.62 89.88 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.954 0.902 . . . . 70.5 109.997 177.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -62.04 -42.3 99.03 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.878 0.871 . . . . 75.13 110.761 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.513 HG22 ' OG1' ' A' ' 71' ' ' THR . 59.8 mt -68.74 -38.71 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.416 0.686 . . . . 72.31 110.209 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.52 -44.83 89.63 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 122.864 0.466 . . . . 74.3 111.18 178.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.5 mt -66.3 -44.19 84.15 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.555 0.742 . . . . 72.41 110.822 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 45.9 mt -64.11 -44.62 91.73 Favored 'General case' 0 C--O 1.212 -0.891 0 CA-C-N 115.842 -0.617 . . . . 73.25 110.162 178.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.7 t -65.0 -40.72 95.35 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.166 0.586 . . . . 65.34 111.442 -175.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.499 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 13.5 pt20 -70.18 -39.99 74.94 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 123.408 0.443 . . . . 74.31 110.514 178.44 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.447 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 65.5 m -61.73 -52.5 64.02 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 123.326 0.391 . . . . 73.15 110.268 177.167 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.575 HD13 ' HH2' ' A' 1008 ' ' TRP . 65.0 mt -62.31 -34.24 76.22 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.766 1.226 . . . . 72.45 110.84 -179.098 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.8 tp -62.71 -50.97 69.02 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 123.462 0.477 . . . . 74.02 110.219 175.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' A' ' 19' ' ' GLN . 19.5 mm-40 -58.5 -35.19 71.85 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 123.777 0.673 . . . . 74.51 111.083 178.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.516 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 88.7 mt -75.77 -30.9 59.3 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.717 0.807 . . . . 75.1 111.526 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.493 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -71.95 -35.32 69.54 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-O 121.109 0.48 . . . . 74.05 110.187 176.482 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -70.67 -38.53 73.78 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.26 -0.882 . . . . 75.33 109.86 175.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -73.31 -27.41 61.52 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.763 0.825 . . . . 71.03 111.281 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.53 17.1 53.75 Favored Glycine 0 C--N 1.341 0.828 0 CA-C-N 116.285 -0.416 . . . . 74.34 113.435 -175.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.516 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 22.5 mm-40 -76.94 71.41 3.45 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.535 0.734 . . . . 73.41 110.452 171.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 27.6 m95 -67.29 -31.98 72.66 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 115.666 -0.697 . . . . 73.12 110.091 -179.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -66.02 -38.73 89.18 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 114.894 -1.048 . . . . 62.13 111.179 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.1 mt -74.7 -27.02 60.21 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 122.927 0.491 . . . . 73.32 111.235 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 74.3 mt -63.72 -45.38 90.24 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 109.435 -0.58 . . . . 73.24 109.435 170.195 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.477 HD21 ' HG ' ' A' 1005 ' ' LEU . 88.4 mt -68.28 -33.46 74.4 Favored 'General case' 0 N--CA 1.481 1.097 0 O-C-N 123.931 0.769 . . . . 75.3 112.216 178.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -68.4 -51.94 38.48 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 121.706 0.765 . . . . 75.31 109.994 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.42 ' HB2' HD23 ' A' ' 21' ' ' LEU . 14.4 mt-30 -85.43 -8.52 58.35 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.817 1.247 . . . . 74.22 112.448 -176.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.439 ' HG3' ' CE3' ' A' 1008 ' ' TRP . 35.7 tt0 -43.7 -54.79 4.81 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.7 1.2 . . . . 75.05 112.106 175.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 31.4 t -61.28 -36.69 74.54 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 O-C-N 124.126 0.891 . . . . 72.02 111.132 -177.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.4 t -68.48 -41.52 80.01 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.067 0.947 . . . . 74.25 111.878 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -72.45 -43.93 63.09 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.07 0.548 . . . . 75.31 110.496 -175.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.4 mt -68.43 -32.42 72.44 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 115.399 -0.819 . . . . 63.53 110.192 178.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -60.37 -54.6 43.72 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.451 0.7 . . . . 64.22 110.747 173.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.7 p -61.9 -37.14 83.48 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 123.948 0.78 . . . . 61.15 111.563 -177.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.7 mt -61.65 -50.91 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.767 0.827 . . . . 74.11 111.219 174.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -60.19 -46.49 89.54 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 123.776 0.672 . . . . 64.2 110.518 -177.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.404 HG22 ' HD3' ' A' ' 10' ' ' ARG . 14.9 t -74.79 -29.48 61.12 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 115.603 -0.726 . . . . 72.32 112.226 -173.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.8 p -77.27 -37.25 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 CA-C-N 118.665 0.666 . . . . 73.1 110.688 177.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 46.8 ttm -74.53 -26.17 59.81 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 109.421 -0.585 . . . . 75.45 109.421 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -63.93 -35.02 79.28 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 115.268 -0.878 . . . . 63.45 110.597 168.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -84.05 81.0 8.98 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 121.42 0.629 . . . . 63.33 109.405 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -86.28 106.86 17.65 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.369 -0.832 . . . . 73.53 109.152 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 67.4 p -99.64 149.39 35.86 Favored Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 123.47 0.708 . . . . 73.15 110.346 176.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -58.41 157.28 27.2 Favored 'Trans proline' 0 C--N 1.382 2.302 0 C-N-CA 123.026 2.484 . . . . 73.43 113.003 178.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -50.83 -46.56 29.72 Favored 'Trans proline' 0 C--N 1.384 2.412 0 C-N-CA 123.81 3.006 . . . . 72.25 112.461 175.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -66.83 90.29 0.16 Allowed Glycine 0 C--N 1.345 1.042 0 CA-C-N 114.986 -1.006 . . . . 51.14 111.922 174.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.1 tp -123.25 135.34 63.52 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.947 0 N-CA-C 107.636 -1.246 . . . . 73.42 107.636 175.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.0 t -66.5 160.44 25.08 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.429 0.692 . . . . 72.42 112.123 -167.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -53.41 -45.44 69.35 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 124.844 1.258 . . . . 74.22 113.067 -171.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.5 m -58.14 -57.34 13.29 Favored 'General case' 0 C--O 1.25 1.091 0 C-N-CA 123.188 0.595 . . . . 73.51 111.584 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.582 HG12 HD11 ' A' ' 8' ' ' ILE . 61.5 mt -63.37 -47.36 92.28 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 CA-C-N 115.023 -0.989 . . . . 74.43 110.617 -178.262 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -56.49 -46.16 80.63 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.133 0.973 . . . . 71.52 111.574 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -66.54 -51.97 50.74 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.309 0.644 . . . . 74.45 111.026 -178.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 74.3 mtm -59.96 -47.35 86.17 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 123.599 0.562 . . . . 73.34 110.706 -178.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 37.0 t -66.95 -35.4 74.61 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.82 0 C-N-CA 124.088 0.955 . . . . 74.42 111.219 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.67 -34.21 77.77 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.748 0.419 . . . . 73.34 110.608 175.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.97 -46.87 90.35 Favored Glycine 0 C--N 1.351 1.385 0 CA-C-N 114.806 -1.088 . . . . 74.44 111.535 172.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -67.47 -34.43 77.16 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.431 0.692 . . . . 75.31 111.669 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 15.3 mt -68.7 -56.87 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 124.501 1.121 . . . . 64.33 110.137 -178.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -68.92 -27.21 65.56 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 119.41 -0.328 . . . . 71.51 111.357 -178.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -64.05 -59.39 4.52 Favored 'General case' 0 C--N 1.358 0.977 0 N-CA-C 109.439 -0.578 . . . . 72.41 109.439 172.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.513 ' OG1' HG22 ' A' ' 14' ' ' ILE . 12.5 t -65.6 -32.27 73.76 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 123.506 0.504 . . . . 73.34 111.7 -174.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 26.3 mt -69.52 -47.67 63.0 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.398 0.436 . . . . 75.11 110.755 177.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -59.41 -44.79 92.79 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-O 121.487 0.661 . . . . 53.01 110.708 178.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.416 ' N ' HD21 ' A' ' 74' ' ' ASN . 0.8 OUTLIER -75.19 -35.42 61.54 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 114.649 -1.16 . . . . 74.54 110.524 -173.778 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.61 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 31.9 tt0 -79.37 -24.42 42.66 Favored 'General case' 0 N--CA 1.482 1.141 0 O-C-N 123.752 0.657 . . . . 65.35 110.713 176.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -67.26 -47.48 70.61 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 108.714 -0.846 . . . . 75.52 108.714 174.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.8 mt -63.53 -39.06 93.44 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 114.4 -1.273 . . . . 75.25 110.751 174.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.61 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 13.9 mt -57.73 -63.43 1.25 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.353 0.661 . . . . 74.43 110.886 174.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.3 pptp? -66.09 -28.97 69.23 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 123.415 0.447 . . . . 74.14 111.494 -171.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.28 -51.19 34.0 Favored Glycine 0 C--N 1.351 1.381 0 O-C-N 123.714 0.634 . . . . 75.32 112.141 175.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.493 HD22 ' HB1' ' A' ' 25' ' ' ALA . 8.5 tt -60.71 -45.85 92.64 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.094 0.958 . . . . 74.44 110.452 178.561 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.593 HD12 ' HE1' ' A' 1008 ' ' TRP . 53.5 mt -75.4 -36.4 60.87 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.352 1.061 . . . . 72.03 111.337 -171.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.1 tm0? -62.19 -51.26 68.54 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 108.372 -0.973 . . . . 73.13 108.372 172.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -55.92 -41.78 75.11 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 124.214 0.946 . . . . 74.03 111.364 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -65.12 -51.93 58.37 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.996 0.918 . . . . 75.51 109.828 -177.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.568 HD13 ' HB3' ' A' 1005 ' ' LEU . 92.4 mt -71.73 -26.28 62.41 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.161 0.584 . . . . 71.32 112.023 -177.632 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -70.82 -47.84 57.26 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.005 0.922 . . . . 71.51 108.62 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.53 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 10.2 mm-40 -58.79 -53.54 57.22 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-N 114.689 -1.141 . . . . 70.32 110.187 172.121 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 76.4 mt -53.34 -39.19 63.93 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 124.126 0.971 . . . . 74.21 112.035 178.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 73.9 m -64.57 -44.52 90.43 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 109.784 -0.45 . . . . 74.02 109.784 176.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 35.6 t -67.83 -26.13 65.9 Favored 'General case' 0 CA--C 1.558 1.264 0 C-N-CA 123.511 0.724 . . . . 72.02 112.407 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 68.2 mt -82.17 -44.09 16.87 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.233 0.613 . . . . 64.32 110.71 -178.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 85.4 mt -77.63 -42.49 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 123.866 0.866 . . . . 74.13 110.62 -174.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.4 106.64 0.3 Allowed Glycine 0 C--N 1.337 0.627 0 N-CA-C 111.014 -0.834 . . . . 63.24 111.014 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -67.49 80.02 0.17 Allowed 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.045 0.938 . . . . 75.23 111.228 -173.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.412 HG12 ' H ' ' A' ' 97' ' ' LEU . 7.9 t -128.83 -177.13 1.81 Allowed 'Isoleucine or valine' 0 CA--C 1.561 1.393 0 N-CA-C 106.277 -1.749 . . . . 71.5 106.277 178.161 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.412 ' H ' HG12 ' A' ' 96' ' ' VAL . 41.5 mt -56.94 89.73 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 119.222 0.919 . . . . 74.21 111.37 173.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.39 153.14 5.73 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.358 1.463 . . . . 73.43 112.336 176.331 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 58.36 64.56 1.45 Allowed 'General case' 0 CA--C 1.556 1.204 0 CA-C-O 122.319 1.056 . . . . 65.34 109.013 -167.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -119.63 81.83 0.33 Allowed Glycine 0 C--N 1.342 0.913 0 CA-C-N 114.668 -1.151 . . . . 60.43 110.888 177.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -74.99 -9.66 20.89 Favored 'Trans proline' 0 C--N 1.378 2.09 0 C-N-CA 122.795 2.33 . . . . 51.13 113.194 -176.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 77.7 p -111.62 11.2 21.16 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.828 0.851 . . . . 74.44 110.964 -178.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -138.98 140.85 38.33 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.511 0.725 . . . . 73.22 110.162 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -82.38 72.83 2.74 Favored Glycine 0 C--N 1.349 1.303 0 O-C-N 123.64 0.588 . . . . 65.23 111.996 177.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 62.8 mt -67.43 -44.79 77.87 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.08 0.952 . . . . 74.53 110.561 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.45 ' HB ' HD12 ' A' ' 113' ' ' ILE . 24.7 m -90.12 141.43 27.83 Favored Pre-proline 0 CA--C 1.55 0.961 0 CA-C-N 114.495 -1.23 . . . . 74.0 109.131 179.032 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -51.07 159.77 2.41 Favored 'Trans proline' 0 C--N 1.376 1.983 0 C-N-CA 122.961 2.441 . . . . 65.21 113.584 168.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.458 ' HA ' ' HB2' ' A' ' 114' ' ' GLU . 4.1 mpt_? -70.87 -59.31 2.87 Favored 'General case' 0 C--O 1.248 0.984 0 CA-C-N 116.046 -0.525 . . . . 71.44 110.521 -178.119 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 62.68 48.23 83.05 Favored Glycine 0 C--N 1.35 1.312 0 N-CA-C 110.986 -0.846 . . . . 64.1 110.986 -171.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 89.3 p 57.86 -71.82 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 126.455 1.902 . . . . 64.02 110.917 -165.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -150.3 37.52 0.92 Allowed Glycine 0 C--N 1.346 1.134 0 N-CA-C 111.108 -0.797 . . . . 74.34 111.108 172.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -81.36 -100.22 0.38 Allowed Glycine 0 C--N 1.348 1.202 0 O-C-N 123.985 0.462 . . . . 64.4 112.451 -174.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.45 HD12 ' HB ' ' A' ' 106' ' ' VAL . 34.5 pt -68.01 -31.0 50.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 122.805 0.442 . . . . 72.41 111.157 -178.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.458 ' HB2' ' HA ' ' A' ' 108' ' ' ARG . 26.3 tt0 -61.17 -46.09 91.93 Favored 'General case' 0 C--N 1.361 1.098 0 N-CA-C 109.344 -0.613 . . . . 75.43 109.344 172.281 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.409 ' O ' ' HG3' ' A' 1004 ' ' ARG . . . -57.52 -52.23 53.06 Favored Glycine 0 C--N 1.353 1.476 0 O-C-N 123.831 0.707 . . . . 52.42 112.255 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 47.9 ttp -55.15 -51.87 65.11 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.267 1.027 . . . . 75.1 111.798 177.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 41.3 p -66.19 -39.6 89.8 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 116.207 -0.452 . . . . 75.1 111.529 -177.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1003 ' ' THR . . . . . 0.5 ' O ' ' HG2' ' A' 1007 ' ' ARG . 95.9 m -60.42 -49.52 77.26 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.284 0.634 . . . . 73.34 109.888 179.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1004 ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 115' ' ' GLY . 94.9 mtt180 -54.56 -53.16 58.25 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.973 0.796 . . . . 74.03 110.477 176.531 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1005 ' ' LEU . . . . . 0.568 ' HB3' HD13 ' A' ' 86' ' ' LEU . 51.0 mt -72.33 -22.05 61.23 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 113.376 0.88 . . . . 74.25 113.376 -174.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 32.6 p -80.62 -40.97 24.74 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 119.045 0.839 . . . . 63.04 110.387 177.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1007 ' ' ARG . . . . . 0.5 ' HG2' ' O ' ' A' 1003 ' ' THR . 35.0 mmt180 -64.46 -36.74 85.16 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-O 121.621 0.724 . . . . 73.24 109.657 173.295 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1008 ' ' TRP . . . . . 0.593 ' HE1' HD12 ' A' ' 82' ' ' LEU . 20.4 t-105 -61.27 -52.77 63.34 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.176 -1.375 . . . . 73.34 110.432 174.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1009 ' ' LEU . . . . . . . . . . . . . 40.2 mt -64.65 -36.06 83.04 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.033 0.533 . . . . 71.34 112.341 -177.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 14.0 t -75.47 -27.88 59.02 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 117.66 0.209 . . . . 62.32 110.501 178.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -73.54 -32.99 64.49 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.846 0.458 . . . . 73.51 111.221 173.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1012 ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' 1008 ' ' TRP . 26.3 mt -68.3 -45.25 73.55 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 109.322 -0.622 . . . . 74.43 109.322 173.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 35.5 t70 -61.35 -37.43 83.3 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 114.623 -1.171 . . . . 72.21 110.401 178.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 8.7 t30 -63.02 -53.05 59.94 Favored 'General case' 0 C--N 1.349 0.554 0 O-C-N 124.33 1.019 . . . . 73.24 110.011 175.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 52.2 t80 -59.49 -60.67 3.47 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 123.705 0.628 . . . . 74.21 110.314 -178.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -44.53 -55.26 5.26 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.257 1.423 . . . . 74.02 112.646 176.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -64.37 -56.27 15.51 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.089 0.556 . . . . 74.32 112.323 -177.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1018 ' ' LYS . . . . . 0.508 ' HE2' ' HA ' ' A' 1018 ' ' LYS . 9.7 mmpt? -63.27 -39.63 95.13 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.266 0.626 . . . . 73.05 111.557 -175.266 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1019 ' ' MET . . . . . 0.545 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.0 OUTLIER -79.08 -22.66 44.94 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.056 -0.52 . . . . 72.4 110.68 -176.68 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -67.34 -36.7 81.97 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.52 0.328 . . . . 44.34 110.232 166.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 79.8 mt -77.41 -20.41 54.66 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 118.336 -0.84 . . . . 74.13 112.717 179.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1022 ' ' LEU . . . . . 0.545 ' HG ' ' HA ' ' A' 1019 ' ' MET . 47.4 mt -48.05 107.93 0.83 Allowed Pre-proline 0 N--CA 1.5 2.048 0 C-N-CA 123.413 0.685 . . . . 71.43 111.727 174.232 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -92.44 14.13 1.75 Allowed 'Trans proline' 0 C--N 1.377 2.059 0 C-N-CA 123.291 2.66 . . . . 74.12 111.947 -178.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -88.86 -71.54 0.59 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.586 0.754 . . . . 65.43 110.835 -174.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1025 ' ' VAL . . . . . 0.65 HG21 ' HZ ' ' A' ' 7' ' ' PHE . 21.2 t . . . . . 0 CA--C 1.555 1.16 0 C-N-CA 123.804 0.842 . . . . 73.24 110.017 -166.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 ptt? . . . . . 0 N--CA 1.487 1.403 0 N-CA-C 110.874 -0.047 . . . . 73.02 110.874 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.8 m -53.44 -46.15 69.73 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.113 0.965 . . . . 75.55 111.393 -179.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.46 ' HB2' ' HG3' ' A' ' 53' ' ' PRO . 77.3 p -62.11 -46.41 89.19 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.418 1.087 . . . . 75.44 111.643 179.329 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 78.2 m -56.24 -57.82 10.59 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 124.833 1.253 . . . . 74.21 111.176 178.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.5 t -58.16 -45.16 88.76 Favored 'Isoleucine or valine' 0 C--N 1.35 0.605 0 C-N-CA 123.576 0.75 . . . . 62.55 110.775 -178.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.0 -55.66 31.32 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 115.762 -0.654 . . . . 73.41 110.5 -176.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -59.84 -52.22 66.36 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 124.821 1.249 . . . . 73.44 111.493 -175.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.471 HG22 ' HE1' ' A' ' 67' ' ' TYR . 93.1 mt -61.46 -50.5 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 123.681 0.792 . . . . 75.23 111.176 -177.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.73 -32.73 73.56 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.158 0.583 . . . . 71.23 111.741 -173.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.441 ' O ' HG13 ' A' ' 14' ' ' ILE . 99.2 mtt180 -66.92 -52.86 38.02 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 109.857 -0.423 . . . . 74.3 109.857 174.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -59.67 -35.11 73.8 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 112.04 0.385 . . . . 72.44 112.04 177.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.425 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 47.2 tt0 -63.05 -50.38 70.85 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.968 0.907 . . . . 74.51 109.858 179.262 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.3 tpt180 -55.44 -45.94 76.78 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 124.607 1.192 . . . . 73.42 110.415 177.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 10' ' ' ARG . 80.7 mt -63.36 -37.68 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 123.942 0.897 . . . . 74.33 111.232 -178.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.33 -42.3 93.04 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.038 0.535 . . . . 74.13 110.858 177.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 81.2 mt -70.26 -34.04 72.33 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.561 0.744 . . . . 71.01 111.003 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.569 HD13 ' HA ' ' A' ' 40' ' ' TYR . 80.1 mt -66.1 -60.39 2.86 Favored 'General case' 0 C--O 1.206 -1.219 0 C-N-CA 123.673 0.789 . . . . 75.34 109.301 177.136 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.1 p -57.27 -34.9 69.11 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.943 0.897 . . . . 63.11 111.953 -178.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -62.73 -54.08 44.66 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.95 0.9 . . . . 70.13 111.406 175.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.53 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 73.2 p -63.82 -42.72 97.6 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.877 -0.601 . . . . 73.44 110.285 -178.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.468 HD13 ' HH2' ' A' 1008 ' ' TRP . 98.7 mt -63.43 -38.66 92.0 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.329 1.451 . . . . 75.05 110.967 179.138 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.454 HD21 ' HA ' ' A' ' 74' ' ' ASN . 48.4 tp -61.8 -47.52 84.76 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 123.631 0.582 . . . . 75.33 109.54 176.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.477 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 38.5 tt0 -59.14 -40.97 87.12 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 124.46 1.1 . . . . 75.25 110.467 178.212 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 20' ' ' SER . 91.3 mt -58.7 -49.36 77.85 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.227 0.611 . . . . 74.12 110.165 178.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.529 ' HB3' HD22 ' A' ' 81' ' ' LEU . . . -63.6 -35.85 81.87 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.439 0.695 . . . . 72.51 111.992 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -71.56 -28.17 63.67 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 123.59 0.756 . . . . 74.22 111.203 177.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 29.7 mmt180 -91.62 -19.45 22.69 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 123.511 0.724 . . . . 73.02 111.631 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.32 17.21 51.07 Favored Glycine 0 N--CA 1.474 1.178 0 N-CA-C 113.597 0.199 . . . . 72.13 113.597 -176.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -84.77 92.62 8.27 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.029 0.932 . . . . 64.13 110.463 174.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 29.7 m95 -89.74 -23.03 21.9 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.045 0.938 . . . . 75.31 111.793 -177.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -71.18 -52.78 17.27 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-N 117.628 0.195 . . . . 73.31 110.868 -177.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 68.1 mt -66.01 -25.1 66.92 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.032 0.133 . . . . 74.25 110.912 176.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.458 HD13 HD22 ' A' ' 21' ' ' LEU . 17.1 tp -65.55 -46.25 80.25 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 123.714 0.634 . . . . 73.45 109.926 175.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.3 mt -74.38 -25.41 59.47 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.951 0.9 . . . . 74.35 112.026 178.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -78.56 -40.95 33.34 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 121.551 0.691 . . . . 75.45 110.167 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -87.58 -10.09 52.52 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.511 1.124 . . . . 70.52 111.815 176.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -45.39 -60.24 2.26 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 124.207 1.003 . . . . 73.42 111.067 171.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.4 m -65.74 -29.08 45.85 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-N 114.633 -1.167 . . . . 75.41 112.083 -175.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.0 m -68.79 -44.84 72.77 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.384 0.674 . . . . 74.2 110.487 177.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.569 ' HA ' HD13 ' A' ' 17' ' ' LEU . 54.2 t80 -65.75 -47.41 75.35 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.189 0.996 . . . . 75.43 110.588 -178.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 76.7 mt -68.94 -34.47 75.41 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 123.924 0.765 . . . . 74.1 110.902 -177.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -62.91 -45.21 93.56 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 122.912 0.485 . . . . 72.14 110.776 174.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 42.1 m -64.52 -37.0 86.02 Favored 'General case' 0 CA--C 1.551 1.015 0 CA-C-N 115.615 -0.72 . . . . 74.53 111.306 179.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.0 mt -57.2 -50.85 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.521 1.128 . . . . 75.34 110.578 173.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 45.6 mt-10 -57.78 -56.1 26.32 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-N 114.658 -1.156 . . . . 74.14 110.545 -179.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.0 t -66.72 -33.14 74.98 Favored 'General case' 0 CA--C 1.55 0.943 0 O-C-N 123.415 0.447 . . . . 75.24 111.913 -172.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.7 p -74.4 -33.61 33.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 O-C-N 121.955 -0.465 . . . . 74.1 110.76 178.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 45.5 ttm -76.2 -22.04 55.75 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 116.043 -0.526 . . . . 74.01 110.116 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 23.6 mm-40 -76.03 -32.93 59.6 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.28 0.632 . . . . 73.35 110.392 170.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.54 102.18 4.43 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 109.407 -0.59 . . . . 74.33 109.407 179.201 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -63.19 134.04 55.3 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-N 115.105 -0.952 . . . . 71.31 109.8 173.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.2 m -70.67 137.46 85.7 Favored Pre-proline 0 CA--C 1.549 0.94 0 CA-C-N 115.34 -0.845 . . . . 74.24 109.57 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.46 ' HG3' ' HB2' ' A' ' 3' ' ' SER . 51.8 Cg_exo -54.87 152.94 26.87 Favored 'Trans proline' 0 C--N 1.381 2.267 0 C-N-CA 122.509 2.14 . . . . 71.14 112.693 175.597 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -58.42 -54.58 2.86 Favored 'Trans proline' 0 C--N 1.383 2.342 0 C-N-CA 123.289 2.659 . . . . 75.32 112.227 -178.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -86.22 67.89 3.42 Favored Glycine 0 C--N 1.343 0.965 0 CA-C-N 115.369 -0.832 . . . . 75.32 111.44 175.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.514 HG13 ' HB2' ' A' ' 61' ' ' GLN . 8.2 tp -71.88 87.11 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 CA-C-O 122.218 1.009 . . . . 44.12 108.628 175.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.8 t -63.57 155.6 29.07 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 114.315 -1.311 . . . . 63.44 112.046 -175.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.602 HH21 ' HB3' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -52.66 -40.06 62.47 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.512 1.125 . . . . 75.32 111.637 -173.055 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 59.5 p -59.95 -57.29 13.49 Favored 'General case' 0 C--O 1.25 1.083 0 C-N-CA 123.434 0.694 . . . . 70.12 111.657 -178.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.1 mt -61.09 -54.07 40.45 Favored 'Isoleucine or valine' 0 C--N 1.359 1.004 0 C-N-CA 123.392 0.677 . . . . 74.44 109.278 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.514 ' HB2' HG13 ' A' ' 56' ' ' ILE . 7.3 tt0 -52.16 -40.84 61.98 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.758 1.223 . . . . 61.43 112.291 -177.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.602 ' HB3' HH21 ' A' ' 58' ' ' ARG . 34.2 t70 -77.87 -38.74 45.29 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.381 0.672 . . . . 74.54 111.633 -175.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 63.4 mtm -65.94 -45.58 81.3 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 109.835 -0.432 . . . . 73.11 109.835 175.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.8 t -61.86 -41.49 90.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 124.68 1.192 . . . . 65.44 110.745 175.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.95 -31.98 73.48 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 122.96 0.504 . . . . 73.01 109.944 176.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.04 -45.66 95.1 Favored Glycine 0 C--N 1.35 1.355 0 N-CA-C 111.472 -0.651 . . . . 72.22 111.472 173.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.471 ' HE1' HG22 ' A' ' 8' ' ' ILE . 16.0 m-85 -69.2 -32.34 71.54 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.206 0.602 . . . . 74.23 111.471 178.336 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.409 HD12 HG13 ' A' 1025 ' ' VAL . 17.0 mt -69.74 -46.69 73.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.396 1.079 . . . . 75.24 110.286 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -71.84 -31.88 66.95 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.541 -0.299 . . . . 72.14 110.615 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -56.87 -59.41 5.08 Favored 'General case' 0 C--N 1.358 0.951 0 O-C-N 123.78 0.675 . . . . 71.21 109.408 169.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.4 t -69.81 -34.87 74.28 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 115.947 -0.569 . . . . 70.11 111.965 -169.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 53.3 mt -72.55 -36.89 68.36 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 122.957 0.503 . . . . 71.41 111.67 178.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -72.73 -45.54 58.19 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-O 121.058 0.456 . . . . 75.43 109.957 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.454 ' HA ' HD21 ' A' ' 22' ' ' LEU . 11.5 m120 -66.86 -36.41 82.25 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.367 -0.833 . . . . 54.32 110.92 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.438 ' HG2' ' HD2' ' A' ' 79' ' ' LYS . 39.4 tt0 -70.72 -37.78 73.55 Favored 'General case' 0 C--O 1.209 -1.043 0 O-C-N 123.752 0.658 . . . . 64.13 110.295 175.475 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -64.03 -42.04 97.22 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 121.234 0.54 . . . . 74.02 110.233 -179.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.5 mt -68.52 -36.57 79.05 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.1 -0.955 . . . . 65.54 110.956 174.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.9 mt -59.07 -64.06 1.08 Allowed 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.498 0.719 . . . . 72.12 110.818 174.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.438 ' HD2' ' HG2' ' A' ' 75' ' ' GLU . 10.9 ptmt -65.71 -29.06 69.54 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.34 1.056 . . . . 75.45 111.187 -172.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.85 -62.77 5.38 Favored Glycine 0 C--N 1.352 1.444 0 O-C-N 124.085 0.866 . . . . 64.34 111.799 169.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.529 HD22 ' HB3' ' A' ' 25' ' ' ALA . 9.1 tt -56.76 -42.15 78.85 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.766 0.826 . . . . 73.24 110.885 -178.012 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 40.3 mt -71.2 -44.58 65.13 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 114.852 -1.067 . . . . 73.22 111.351 -173.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.412 ' HG3' ' N ' ' A' ' 84' ' ' GLN . 4.0 pt20 -67.8 -39.31 84.02 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 109.606 -0.516 . . . . 64.51 109.606 179.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.412 ' N ' ' HG3' ' A' ' 83' ' ' GLN . 20.2 mm-40 -59.1 -45.22 91.44 Favored 'General case' 0 C--N 1.361 1.106 0 O-C-N 123.88 0.737 . . . . 75.53 110.446 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.419 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 50.4 ttt-85 -72.24 -35.83 68.92 Favored 'General case' 0 C--O 1.212 -0.91 0 CA-C-N 115.09 -0.959 . . . . 75.33 110.269 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.439 HD11 ' HB3' ' A' 1005 ' ' LEU . 75.6 mt -69.41 -25.31 64.08 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-O 119.199 -0.429 . . . . 74.14 110.438 176.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -68.45 -44.23 75.35 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.587 0.755 . . . . 73.15 109.01 173.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.537 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 45.3 mm-40 -59.22 -60.75 3.36 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 115.08 -0.964 . . . . 74.41 110.06 175.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 86.0 mt -56.35 -40.5 74.6 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.196 1.398 . . . . 74.43 111.839 -176.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.798 ' HB2' HD13 ' A' ' 105' ' ' LEU . 93.4 p -71.91 -30.3 65.21 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 122.521 0.328 . . . . 74.52 110.86 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 46.6 t -75.53 -26.18 57.83 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.765 0.426 . . . . 64.22 111.372 171.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 68.3 mt -78.37 -42.21 31.08 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 122.782 0.433 . . . . 65.51 111.079 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.428 HG23 HG13 ' A' ' 106' ' ' VAL . 72.7 mt -82.82 -42.38 18.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 123.851 0.861 . . . . 71.42 109.596 -178.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -131.91 -138.92 4.25 Favored Glycine 0 C--N 1.348 1.211 0 CA-C-N 115.706 -0.679 . . . . 72.34 111.803 -177.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -136.88 125.72 24.1 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 108.269 -1.012 . . . . 64.22 108.269 176.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 90.6 t -72.05 117.56 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.238 0.615 . . . . 74.14 109.603 176.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.9 mp -74.66 -41.69 59.85 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.155 0.582 . . . . 62.21 111.349 -179.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -157.16 -42.65 0.07 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.99 0.916 . . . . 74.1 110.007 -176.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.418 ' HB3' ' HB2' ' A' ' 102' ' ' SER . 6.3 tp-100 -144.7 128.11 16.92 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 107.096 -1.446 . . . . 64.4 107.096 178.43 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -55.27 -63.94 4.82 Favored Glycine 0 C--N 1.351 1.385 0 CA-C-O 119.246 -0.752 . . . . 72.01 113.918 -176.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -53.46 -41.14 75.52 Favored 'Trans proline' 0 C--N 1.379 2.16 0 C-N-CA 123.497 2.798 . . . . 71.31 114.576 175.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.418 ' HB2' ' HB3' ' A' ' 99' ' ' GLN . 17.8 m -88.72 -6.99 57.07 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 113.09 0.774 . . . . 74.12 113.09 -171.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -72.44 -30.22 64.41 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-O 120.781 0.324 . . . . 75.24 110.547 177.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 71.9 53.79 9.07 Favored Glycine 0 C--N 1.35 1.348 0 CA-C-N 115.442 -0.799 . . . . 53.15 111.328 -176.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.798 HD13 ' HB2' ' A' ' 90' ' ' SER . 87.2 mt -82.37 -170.86 3.14 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.571 0.749 . . . . 75.52 110.894 178.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.428 HG13 HG23 ' A' ' 93' ' ' ILE . 27.4 m 46.5 64.34 8.42 Favored Pre-proline 0 CA--C 1.566 1.564 0 C-N-CA 125.742 1.617 . . . . 73.34 112.495 -171.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -63.37 -42.73 20.73 Favored 'Trans proline' 0 C--N 1.391 2.815 0 C-N-CA 123.039 2.492 . . . . 72.13 111.878 -176.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -86.55 114.56 23.38 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 108.661 -0.866 . . . . 72.33 108.661 175.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -71.94 85.57 0.47 Allowed Glycine 0 C--N 1.342 0.9 0 O-C-N 123.887 0.742 . . . . 74.05 113.825 -174.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 32.1 t -86.68 74.38 9.85 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 123.413 0.685 . . . . 72.44 110.316 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 48.8 -99.15 0.02 OUTLIER Glycine 0 C--N 1.351 1.413 0 C-N-CA 125.174 1.368 . . . . 72.23 116.334 168.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -66.12 -47.88 69.46 Favored Glycine 0 C--N 1.355 1.6 0 C-N-CA 123.723 0.678 . . . . 64.33 113.969 -173.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 42.6 pt -68.28 -31.81 53.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 CA-C-N 117.014 0.407 . . . . 72.31 110.772 -179.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -62.72 -58.91 5.81 Favored 'General case' 0 C--N 1.351 0.637 0 N-CA-C 109.197 -0.668 . . . . 74.35 109.197 177.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -53.21 -48.56 58.89 Favored Glycine 0 C--N 1.352 1.441 0 O-C-N 124.332 1.02 . . . . 73.24 112.641 178.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 48.7 ttp -53.63 -58.68 6.31 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.707 0.803 . . . . 73.41 111.276 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 62.9 p -66.16 -54.06 29.93 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 116.274 -0.421 . . . . 65.22 111.42 -174.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 66.6 p -61.46 -43.55 98.67 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.019 0.528 . . . . 71.33 111.821 -173.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -70.5 -44.05 68.43 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 123.362 0.414 . . . . 72.52 111.053 -178.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1005 ' ' LEU . . . . . 0.521 ' O ' ' HG ' ' A' 1009 ' ' LEU . 40.3 mt -66.07 -39.17 89.86 Favored 'General case' 0 C--N 1.357 0.923 0 O-C-N 123.264 0.352 . . . . 75.3 111.675 178.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 66.5 p -69.27 -38.56 78.46 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 118.14 0.427 . . . . 74.44 110.86 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -65.87 -35.2 79.98 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.398 0.679 . . . . 74.51 110.392 173.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1008 ' ' TRP . . . . . 0.529 ' O ' ' HG ' ' A' 1012 ' ' LEU . 0.3 OUTLIER -65.58 -41.34 92.98 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 114.916 -1.038 . . . . 72.24 109.658 175.877 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 1009 ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' 1005 ' ' LEU . 88.6 mt -71.65 -30.82 66.16 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.145 0.578 . . . . 74.05 109.571 -178.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 64.9 m -64.85 -44.81 88.57 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.44 1.096 . . . . 53.4 110.167 173.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -71.48 -29.13 64.48 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.54 0.736 . . . . 60.32 111.468 179.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1012 ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' 1008 ' ' TRP . 22.7 mt -70.04 -44.13 69.85 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 109.268 -0.641 . . . . 63.32 109.268 176.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 31.0 t70 -62.27 -40.12 95.18 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.067 0.947 . . . . 74.11 110.492 178.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -62.37 -51.11 68.88 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 115.267 -0.879 . . . . 50.4 110.724 177.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 46.1 t80 -57.4 -60.44 3.63 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 123.973 0.795 . . . . 73.45 110.075 178.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -41.87 -54.88 3.27 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.637 1.575 . . . . 70.3 111.983 177.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -60.76 -60.0 4.5 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 124.075 0.859 . . . . 64.5 112.468 -178.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1018 ' ' LYS . . . . . 0.409 ' HZ3' ' HB3' ' A' 1018 ' ' LYS . 2.5 mmmp? -70.67 -30.58 67.22 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.283 0.633 . . . . 75.04 111.867 -170.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1019 ' ' MET . . . . . 0.511 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.0 OUTLIER -80.71 -28.22 36.72 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 116.229 -0.441 . . . . 73.24 110.025 -179.111 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -67.27 -37.13 82.96 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 109.359 -0.608 . . . . 73.41 109.359 168.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 91.7 mt -71.8 -23.28 61.53 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 118.43 -0.795 . . . . 75.54 112.315 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1022 ' ' LEU . . . . . 0.511 ' HG ' ' HA ' ' A' 1019 ' ' MET . 62.2 mt -46.68 107.78 0.75 Allowed Pre-proline 0 N--CA 1.494 1.752 0 O-C-N 123.727 0.642 . . . . 74.21 110.835 171.115 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -87.78 12.47 2.88 Favored 'Trans proline' 0 C--N 1.375 1.971 0 C-N-CA 122.728 2.285 . . . . 75.32 111.626 178.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -90.48 -26.91 19.56 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.55 1.14 . . . . 60.54 111.716 -176.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1025 ' ' VAL . . . . . 0.409 HG13 HD12 ' A' ' 68' ' ' ILE . 36.6 t . . . . . 0 C--O 1.252 1.229 0 N-CA-C 108.441 -0.948 . . . . 74.34 108.441 175.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.402 ' HG2' HG22 ' A' ' 5' ' ' VAL . 22.9 ttt . . . . . 0 N--CA 1.481 1.115 0 CA-C-O 119.378 -0.344 . . . . 72.1 111.389 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.1 p -57.5 -41.25 80.39 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 118.685 0.675 . . . . 75.14 111.264 179.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.2 t -59.37 -46.97 87.18 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.369 0.668 . . . . 75.41 110.553 174.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.3 m -57.74 -54.33 48.05 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.382 1.073 . . . . 70.43 111.891 178.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.402 HG22 ' HG2' ' A' ' 1' ' ' MET . 84.8 t -59.09 -57.01 13.25 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 O-C-N 123.943 0.777 . . . . 74.13 109.842 -176.212 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -57.6 -45.03 85.82 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 123.801 0.688 . . . . 74.32 111.196 -178.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -60.26 -55.28 35.62 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.425 0.69 . . . . 74.02 111.157 -175.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.646 HD11 HG12 ' A' ' 60' ' ' ILE . 74.5 mt -64.16 -42.29 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 123.448 0.699 . . . . 74.32 111.088 -178.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.15 -37.2 83.37 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.047 0.539 . . . . 74.35 110.853 -177.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.551 ' HD3' HG23 ' A' ' 46' ' ' THR . 91.3 mtt180 -71.68 -47.76 51.97 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.704 0.402 . . . . 75.31 110.012 -179.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -57.93 -38.66 76.33 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 123.146 0.279 . . . . 73.24 111.121 174.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.46 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 57.8 tt0 -58.48 -57.73 11.64 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 123.795 0.685 . . . . 74.31 109.977 177.37 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.445 ' HG2' ' HA ' ' A' ' 10' ' ' ARG . 12.1 ptm180 -66.22 -25.92 67.14 Favored 'General case' 0 C--O 1.212 -0.879 0 O-C-N 123.644 0.59 . . . . 75.5 111.79 -175.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 10' ' ' ARG . 88.3 mt -70.15 -41.82 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 C-N-CA 123.176 0.59 . . . . 75.52 110.13 176.003 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.5 -41.26 89.13 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.65 0.38 . . . . 42.24 110.647 176.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.504 ' HA ' HE21 ' A' ' 19' ' ' GLN . 82.6 mt -66.51 -42.58 87.11 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.517 0.727 . . . . 75.43 110.393 179.301 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.5 mt -67.05 -46.43 74.42 Favored 'General case' 0 C--O 1.207 -1.172 0 C-N-CA 123.076 0.551 . . . . 61.11 110.061 178.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.1 p -64.14 -38.96 92.96 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 117.867 0.303 . . . . 75.11 111.447 -176.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.504 HE21 ' HA ' ' A' ' 16' ' ' LEU . 25.7 pt20 -76.48 -35.62 58.29 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 123.077 0.236 . . . . 71.53 111.463 -179.241 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 86.5 p -69.82 -50.95 37.89 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 109.695 -0.483 . . . . 74.41 109.695 178.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.462 HD12 ' HH2' ' A' 1008 ' ' TRP . 91.3 mt -57.89 -34.29 69.64 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.745 1.218 . . . . 74.42 111.303 174.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 36.6 tp -63.09 -50.36 70.84 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 110.131 -0.322 . . . . 75.23 110.131 175.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -65.77 -24.8 67.02 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 123.694 0.621 . . . . 74.05 111.319 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.448 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 97.0 mt -77.07 -33.36 57.13 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.581 0.752 . . . . 71.21 110.468 173.164 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.53 ' HB2' HD23 ' A' ' 81' ' ' LEU . . . -71.39 -31.0 66.79 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.111 0.564 . . . . 75.33 109.902 176.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -73.42 -36.91 66.04 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.984 0.914 . . . . 74.11 109.923 172.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.457 ' HB3' ' HG2' ' A' ' 29' ' ' GLU . 9.7 tpp180 -77.44 -17.36 58.16 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.825 0.85 . . . . 75.55 111.768 -178.575 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.09 18.08 65.75 Favored Glycine 0 C--N 1.348 1.198 0 CA-C-N 116.614 -0.267 . . . . 74.22 113.698 -178.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.457 ' HG2' ' HB3' ' A' ' 27' ' ' ARG . 28.5 mm-40 -79.85 69.49 6.21 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.086 0.954 . . . . 74.45 111.335 178.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 31.9 m95 -64.81 -32.07 73.59 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.71 0.804 . . . . 65.31 110.417 -177.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -63.11 -49.28 75.07 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.244 1.017 . . . . 74.43 110.859 177.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.4 mt -67.37 -30.39 70.17 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.022 0.529 . . . . 62.34 111.292 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 81.9 mt -64.71 -49.69 69.88 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 122.778 0.431 . . . . 73.52 110.498 174.108 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.558 HD22 ' HG ' ' A' 1005 ' ' LEU . 85.7 mt -73.3 -22.04 60.44 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.235 0.614 . . . . 71.53 112.385 -176.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -77.31 -50.83 11.98 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.281 0.562 . . . . 62.22 109.841 176.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.434 ' HB2' HD23 ' A' ' 21' ' ' LEU . 48.5 mt-30 -76.17 -9.77 58.89 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.441 1.096 . . . . 75.41 112.145 177.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -42.14 -60.62 1.39 Allowed 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.756 1.222 . . . . 73.43 112.025 176.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.1 p -59.4 -34.69 55.13 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 123.483 0.713 . . . . 65.22 111.574 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.9 m -73.07 -42.02 63.48 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.686 0.795 . . . . 73.43 112.129 -174.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -72.25 -42.19 65.92 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.245 0.618 . . . . 74.15 110.205 179.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.4 mt -67.73 -30.41 69.89 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 116.092 -0.504 . . . . 74.3 110.499 176.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -67.13 -46.29 74.56 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.522 0.729 . . . . 72.3 110.475 176.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.4 p -65.07 -38.75 91.8 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 116.364 -0.38 . . . . 74.31 110.887 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.6 mt -57.63 -58.53 5.79 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 124.201 1.0 . . . . 63.34 110.947 175.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.96 -37.47 87.55 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 115.707 -0.678 . . . . 65.22 110.837 -174.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.551 HG23 ' HD3' ' A' ' 10' ' ' ARG . 6.2 t -76.33 -30.53 57.71 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-O 119.283 -0.389 . . . . 64.03 111.767 -175.15 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.1 p -75.82 -29.43 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 CA-C-N 118.446 0.566 . . . . 73.54 110.081 175.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 39.0 ttm -78.11 -23.65 47.81 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 115.728 -0.669 . . . . 73.22 110.634 177.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -84.02 -16.36 44.21 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.405 0.682 . . . . 74.4 110.601 168.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.66 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.5 OUTLIER -91.28 68.18 5.88 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 108.394 -0.965 . . . . 74.45 108.394 173.353 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.1 pm0 -76.1 118.37 18.77 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 115.379 -0.828 . . . . 75.33 109.457 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 40.2 p -95.15 140.15 22.31 Favored Pre-proline 0 C--O 1.243 0.725 0 N-CA-C 109.267 -0.642 . . . . 63.54 109.267 171.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -61.35 157.11 42.28 Favored 'Trans proline' 0 C--N 1.374 1.894 0 C-N-CA 122.805 2.337 . . . . 72.15 112.171 178.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -42.21 -48.4 6.55 Favored 'Trans proline' 0 C--N 1.383 2.372 0 C-N-CA 124.624 3.549 . . . . 75.21 114.033 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -68.37 96.59 0.42 Allowed Glycine 0 C--N 1.346 1.123 0 CA-C-N 115.538 -0.755 . . . . 60.2 112.26 176.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.4 tp -130.7 135.66 59.84 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 C-N-CA 123.958 0.903 . . . . 75.34 108.566 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 t -70.0 159.3 34.04 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 122.758 0.423 . . . . 75.52 111.734 -172.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 44.8 mtm105 -54.1 -45.71 71.9 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.89 0.876 . . . . 75.2 112.125 -175.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.2 m -58.8 -54.91 41.8 Favored 'General case' 0 C--O 1.243 0.715 0 O-C-N 123.951 0.782 . . . . 73.51 111.352 -174.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.646 HG12 HD11 ' A' ' 8' ' ' ILE . 64.4 mt -61.25 -55.15 26.47 Favored 'Isoleucine or valine' 0 C--N 1.353 0.721 0 O-C-N 123.747 0.655 . . . . 73.2 109.746 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -55.01 -35.78 64.75 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.981 0.913 . . . . 73.31 111.741 -176.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -72.33 -58.26 3.54 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.208 0.603 . . . . 72.34 110.208 -179.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 75.1 mtm -56.43 -47.78 78.38 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 124.069 0.855 . . . . 74.2 110.376 -177.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.5 t -59.06 -48.06 87.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-N 114.57 -1.195 . . . . 75.25 111.435 176.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.12 -27.8 69.19 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 122.784 0.433 . . . . 74.52 111.701 178.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.07 -51.84 26.34 Favored Glycine 0 C--N 1.346 1.126 0 N-CA-C 111.156 -0.778 . . . . 73.24 111.156 174.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -61.72 -33.02 73.28 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.702 0.801 . . . . 74.42 111.126 177.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 14.2 mt -63.17 -57.73 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.013 1.325 . . . . 73.35 109.781 177.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -57.7 -46.14 84.75 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 123.94 0.775 . . . . 64.43 110.001 -177.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -55.94 -56.88 15.37 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 124.185 0.928 . . . . 62.3 110.889 178.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.3 t -67.11 -26.18 66.57 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 111.924 0.342 . . . . 74.15 111.924 -172.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.64 HD11 ' SD ' ' A' 1019 ' ' MET . 81.6 mt -76.16 -34.19 59.37 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.1 0.56 . . . . 71.31 111.553 176.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -72.87 -44.68 61.05 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-O 121.268 0.556 . . . . 73.51 110.222 175.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -71.06 -27.93 63.99 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.096 -0.956 . . . . 64.33 110.771 -179.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.477 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 37.7 tt0 -78.83 -36.46 42.52 Favored 'General case' 0 C--O 1.21 -1.026 0 C-N-CA 122.693 0.397 . . . . 74.42 110.157 174.32 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -57.38 -43.05 83.28 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-O 121.383 0.611 . . . . 75.34 109.422 173.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.3 mt -72.48 -36.61 68.49 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 114.652 -1.158 . . . . 75.42 111.844 176.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.477 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 6.1 mt -68.78 -65.23 0.73 Allowed 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 123.189 0.596 . . . . 73.01 110.196 177.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.51 ' HA ' HD23 ' A' 1009 ' ' LEU . 36.1 ttpt -54.29 -36.68 63.94 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.996 1.718 . . . . 75.15 111.737 178.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.74 -50.9 38.86 Favored Glycine 0 C--N 1.348 1.223 0 O-C-N 123.673 0.608 . . . . 75.4 113.452 175.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.53 HD23 ' HB2' ' A' ' 25' ' ' ALA . 10.0 tt -61.97 -52.56 63.51 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.872 0.869 . . . . 74.3 109.96 -178.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 41.7 mt -62.04 -39.18 91.49 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 114.401 -1.272 . . . . 74.21 111.952 -178.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -64.74 -47.11 79.44 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 110.083 -0.34 . . . . 55.1 110.083 176.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -62.52 -36.21 81.86 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.839 0.712 . . . . 75.21 110.999 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.436 ' NH1' HD11 ' A' ' 89' ' ' LEU . 3.9 tmt_? -76.81 -31.77 57.17 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 115.24 -0.891 . . . . 74.51 109.384 -177.275 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.579 HD13 ' HB3' ' A' 1005 ' ' LEU . 86.3 mt -75.84 -30.13 58.84 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.235 0.614 . . . . 75.53 110.628 173.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -60.79 -46.46 90.41 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 108.014 -1.106 . . . . 74.12 108.014 173.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.54 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 33.8 tt0 -60.84 -60.56 3.59 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 114.05 -1.432 . . . . 75.3 110.469 179.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.459 HD13 HD23 ' A' ' 86' ' ' LEU . 91.9 mt -49.93 -53.28 27.19 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 123.997 0.919 . . . . 73.42 111.769 -178.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.492 ' HB3' HG21 ' A' ' 96' ' ' VAL . 50.1 m -69.32 -23.35 63.78 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 115.423 -0.808 . . . . 73.3 111.643 -175.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 46.8 t -76.69 -38.87 53.67 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.083 0.553 . . . . 70.13 111.429 172.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 35.4 mt -70.89 -40.88 71.96 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-O 121.36 0.6 . . . . 74.41 110.043 -176.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 71.9 mt -84.98 -48.36 16.5 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 CA-C-N 114.694 -1.139 . . . . 72.01 110.293 -177.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -124.61 -113.3 1.99 Allowed Glycine 0 C--N 1.353 1.5 0 CA-C-O 120.333 -0.148 . . . . 63.04 112.955 -174.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -154.86 -22.48 0.12 Allowed 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.999 0.919 . . . . 73.11 112.078 -175.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.492 HG21 ' HB3' ' A' ' 90' ' ' SER . 34.4 m -72.96 167.73 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 123.261 0.624 . . . . 75.41 111.441 178.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.0 mp -137.66 -67.42 0.48 Allowed 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.532 0.733 . . . . 75.33 109.733 -177.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.407 ' O ' HD23 ' A' ' 105' ' ' LEU . 33.6 p90 -114.61 154.08 28.98 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.622 1.169 . . . . 75.33 109.965 -175.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -60.56 126.78 28.73 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.289 1.036 . . . . 74.25 112.708 -171.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -74.37 154.68 47.88 Favored Glycine 0 CA--C 1.535 1.327 0 CA-C-O 118.228 -1.318 . . . . 63.13 111.566 167.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -55.2 94.58 0.04 OUTLIER 'Trans proline' 0 C--N 1.38 2.224 0 C-N-CA 123.563 2.842 . . . . 74.21 112.53 -176.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 85.8 p 53.99 21.13 2.73 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 126.514 1.926 . . . . 74.02 113.118 -174.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -86.51 -24.59 25.49 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.956 0.902 . . . . 71.45 110.237 173.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 71.24 -156.96 53.3 Favored Glycine 0 C--N 1.354 1.536 0 CA-C-N 115.617 -0.72 . . . . 75.32 111.853 -174.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.459 HD22 ' HB ' ' A' ' 96' ' ' VAL . 93.2 mt -132.97 -81.62 0.48 Allowed 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.805 0.842 . . . . 73.45 108.858 173.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 64.7 t -112.49 104.46 55.96 Favored Pre-proline 0 CA--C 1.546 0.814 0 N-CA-C 107.663 -1.236 . . . . 72.23 107.663 173.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -67.04 160.2 48.4 Favored 'Trans proline' 0 C--N 1.374 1.916 0 C-N-CA 123.003 2.468 . . . . 73.15 112.291 178.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 33.5 ptt180 -73.88 159.47 32.78 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.759 0.823 . . . . 74.44 110.913 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 176.42 -70.7 0.08 OUTLIER Glycine 0 C--N 1.339 0.696 0 N-CA-C 110.932 -0.867 . . . . 75.43 110.932 178.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 39.1 m -143.28 151.78 40.93 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.807 0.843 . . . . 74.43 110.443 178.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 76.58 154.19 5.46 Favored Glycine 0 C--N 1.347 1.143 0 CA-C-N 115.696 -0.684 . . . . 75.12 114.06 176.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -70.48 -13.21 70.83 Favored Glycine 0 C--N 1.345 1.064 0 CA-C-O 119.492 -0.615 . . . . 60.04 113.678 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.514 HG23 ' HG3' ' A' ' 114' ' ' GLU . 6.5 tt -64.02 -58.0 9.18 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 C-N-CA 123.063 0.545 . . . . 74.12 110.324 173.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.514 ' HG3' HG23 ' A' ' 113' ' ' ILE . 79.3 mt-10 -70.88 -33.48 70.64 Favored 'General case' 0 C--O 1.247 0.93 0 C-N-CA 124.109 0.964 . . . . 75.41 110.175 -174.156 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -61.53 -59.05 10.47 Favored Glycine 0 C--N 1.35 1.321 0 CA-C-N 114.82 -1.082 . . . . 33.04 112.169 174.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 37.6 ttp -54.32 -44.02 71.69 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.131 0.972 . . . . 73.21 111.9 -179.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 30.7 p -65.89 -53.95 32.9 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 119.016 -0.516 . . . . 72.4 111.346 -178.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 98.0 m -57.26 -46.0 83.47 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-O 120.85 0.357 . . . . 70.03 111.415 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 73.1 mtt-85 -55.83 -63.5 1.16 Allowed 'General case' 0 C--N 1.345 0.406 0 CA-C-N 114.759 -1.109 . . . . 75.24 110.936 178.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1005 ' ' LEU . . . . . 0.579 ' HB3' HD13 ' A' ' 86' ' ' LEU . 36.8 mt -61.88 -41.79 98.29 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 123.991 0.807 . . . . 75.43 112.069 -174.15 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 44.2 p -61.25 -52.61 64.02 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 117.953 0.342 . . . . 74.11 110.986 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 28.2 ttt180 -66.47 -26.17 67.06 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.836 0.454 . . . . 73.34 110.983 178.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1008 ' ' TRP . . . . . 0.485 ' O ' ' HG ' ' A' 1012 ' ' LEU . 0.0 OUTLIER -71.49 -36.13 71.01 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.887 0.875 . . . . 70.41 109.545 175.898 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1009 ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' 1005 ' ' LEU . 84.6 mt -73.38 -31.46 63.93 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 109.123 -0.695 . . . . 70.3 109.123 179.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 96.4 m -65.58 -44.76 85.69 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 114.607 -1.179 . . . . 73.32 110.344 172.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -71.25 -28.91 64.5 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.638 0.775 . . . . 74.42 111.097 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1012 ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' 1008 ' ' TRP . 19.0 mt -70.33 -48.65 55.51 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 115.731 -0.668 . . . . 73.23 109.319 175.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 22.1 t70 -73.7 -22.32 59.96 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.92 -0.582 . . . . 75.24 110.938 -177.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -68.92 -43.96 74.09 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.387 -0.597 . . . . 74.14 109.387 170.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 50.4 t80 -56.35 -57.76 10.87 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 123.871 0.732 . . . . 75.32 109.525 173.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -43.7 -52.15 6.69 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.251 1.42 . . . . 61.04 112.207 176.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1017 ' ' ALA . . . . . 0.408 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -62.31 -61.67 2.29 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.631 0.773 . . . . 75.24 111.534 -178.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 18.5 mmmt -57.81 -40.85 80.94 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.065 1.346 . . . . 62.41 112.511 -177.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1019 ' ' MET . . . . . 0.64 ' SD ' HD11 ' A' ' 72' ' ' LEU . 1.3 ppp? -79.18 -30.32 43.41 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.846 -0.615 . . . . 70.33 109.653 -172.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -66.84 -31.31 71.84 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 123.127 0.267 . . . . 74.25 110.471 169.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1021 ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' 1017 ' ' ALA . 96.1 mt -70.56 -29.95 66.54 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-O 118.379 -0.819 . . . . 74.0 111.77 175.115 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1022 ' ' LEU . . . . . 0.553 ' HG ' ' HA ' ' A' 1019 ' ' MET . 94.5 mt -50.41 106.37 0.63 Allowed Pre-proline 0 N--CA 1.505 2.322 0 CA-C-N 118.211 0.459 . . . . 74.24 111.252 175.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -92.56 26.66 0.39 Allowed 'Trans proline' 0 C--N 1.381 2.253 0 C-N-CA 123.089 2.526 . . . . 71.21 113.747 -173.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -118.43 -58.66 1.96 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.704 0.802 . . . . 72.22 109.736 -177.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1025 ' ' VAL . . . . . . . . . . . . . 16.0 m . . . . . 0 C--O 1.256 1.406 0 C-N-CA 124.33 1.052 . . . . 73.14 109.667 -179.751 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.5 p . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 112.878 0.696 . . . . 64.22 112.878 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m -67.52 -34.35 76.92 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 122.596 0.358 . . . . 75.44 111.596 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.9 m -62.08 -51.91 66.03 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.754 0.822 . . . . 65.2 110.333 175.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 79.0 t -60.34 -51.68 70.15 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 O-C-N 124.047 0.842 . . . . 60.41 110.048 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -57.33 -47.17 82.25 Favored 'General case' 0 C--O 1.214 -0.799 0 O-C-N 123.547 0.529 . . . . 75.51 111.324 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -59.16 -55.01 40.42 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 122.924 0.49 . . . . 73.1 110.859 -176.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 65.1 mt -68.29 -42.61 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 123.56 0.744 . . . . 74.54 111.392 -176.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.519 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 7.1 m-80 -64.97 -43.74 91.65 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.555 0.742 . . . . 70.3 110.867 -179.411 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.591 ' HD3' HG23 ' A' ' 46' ' ' THR . 94.2 mtt180 -66.49 -44.58 82.23 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 118.806 -0.616 . . . . 72.31 110.203 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 35.3 m95 -57.85 -38.21 75.28 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 123.362 0.414 . . . . 74.51 111.075 173.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.422 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 63.9 tt0 -64.83 -42.58 94.84 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 123.682 0.793 . . . . 74.23 109.922 177.659 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.519 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 66.8 mmt-85 -65.62 -42.74 91.19 Favored 'General case' 0 C--O 1.211 -0.924 0 O-C-N 123.433 0.458 . . . . 73.41 110.076 -179.34 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 10' ' ' ARG . 83.0 mt -64.25 -39.43 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 124.006 0.922 . . . . 74.25 110.458 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.14 -45.33 85.44 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.81 0.844 . . . . 73.2 110.861 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 90.2 mt -71.36 -36.45 71.48 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.649 0.78 . . . . 64.43 110.775 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.2 mt -65.95 -52.9 45.56 Favored 'General case' 0 C--O 1.212 -0.875 0 C-N-CA 123.444 0.698 . . . . 65.32 109.564 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.2 p -62.8 -36.33 82.77 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 123.803 0.689 . . . . 75.52 110.955 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -61.96 -49.91 74.24 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 123.751 0.657 . . . . 73.12 110.517 174.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.4 m -60.4 -47.96 83.83 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 123.825 0.703 . . . . 65.04 110.813 179.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.537 HD13 ' HH2' ' A' 1008 ' ' TRP . 79.4 mt -65.58 -32.5 74.12 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.463 1.105 . . . . 73.41 110.518 -177.515 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.513 HD22 ' HA ' ' A' ' 74' ' ' ASN . 34.3 tp -64.26 -51.66 62.5 Favored 'General case' 0 C--N 1.352 0.675 0 O-C-N 123.78 0.675 . . . . 73.5 109.844 175.335 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.545 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 37.4 mm-40 -57.44 -47.77 80.92 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 124.203 0.939 . . . . 55.13 110.427 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.477 HD13 ' HB2' ' A' ' 32' ' ' LEU . 43.2 mt -59.59 -41.5 90.42 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 115.285 -0.87 . . . . 64.23 111.316 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.84 81.7 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.935 0.494 . . . . 61.2 111.005 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -72.16 -27.22 62.45 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.557 0.743 . . . . 60.2 110.917 176.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.545 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 7.4 mmm180 -94.94 -10.02 32.34 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 122.86 0.464 . . . . 71.53 112.032 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.78 11.63 67.81 Favored Glycine 0 C--N 1.345 1.059 0 N-CA-C 114.269 0.468 . . . . 62.44 114.269 178.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -84.37 80.55 9.17 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.614 0.766 . . . . 64.52 110.227 178.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 29.3 m95 -77.21 -19.26 56.93 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 123.729 0.811 . . . . 73.15 111.578 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -59.28 -50.75 72.81 Favored 'General case' 0 C--O 1.245 0.821 0 C-N-CA 125.198 1.399 . . . . 72.32 111.495 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.477 ' HB2' HD13 ' A' ' 24' ' ' LEU . 93.5 mt -74.27 -19.13 60.6 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.212 -0.904 . . . . 74.13 111.282 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.478 ' HA ' HD22 ' A' ' 21' ' ' LEU . 9.9 mp -66.54 -49.29 66.96 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 109.307 -0.627 . . . . 75.52 109.307 169.47 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.3 -34.61 78.07 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 124.063 0.852 . . . . 53.25 111.676 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -74.13 -56.16 5.24 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.126 0.571 . . . . 70.1 110.979 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.516 ' HB2' HD21 ' A' ' 21' ' ' LEU . 87.2 mt-30 -77.56 -8.3 57.61 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.369 1.068 . . . . 50.12 112.253 -176.292 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -43.61 -61.16 1.48 Allowed 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.927 1.291 . . . . 71.03 112.288 172.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.5 p -61.83 -33.42 57.77 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 O-C-N 123.935 0.772 . . . . 61.21 110.937 -177.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.5 m -64.18 -46.58 83.38 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.726 0.81 . . . . 75.53 110.885 177.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -68.85 -48.35 63.68 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 114.835 -1.075 . . . . 72.22 110.574 -174.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 80.7 mt -66.67 -38.08 86.09 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 124.14 0.9 . . . . 52.32 110.558 -178.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -58.91 -51.74 68.75 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 123.196 0.599 . . . . 73.13 110.644 174.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.2 m -59.23 -41.32 88.4 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.697 0.799 . . . . 73.33 111.385 -178.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.432 ' O ' HG12 ' A' ' 47' ' ' VAL . 19.8 mt -54.56 -56.53 9.79 Favored 'Isoleucine or valine' 0 C--O 1.252 1.19 0 C-N-CA 124.774 1.23 . . . . 60.31 111.116 174.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.507 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 50.6 mt-10 -64.34 -44.25 92.08 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 114.98 -1.009 . . . . 73.14 110.846 -174.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.591 HG23 ' HD3' ' A' ' 10' ' ' ARG . 11.3 t -72.43 -30.79 64.92 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 123.404 0.44 . . . . 71.04 111.964 -173.367 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 44' ' ' ILE . 5.9 p -73.75 -33.69 38.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 N-CA-C 109.587 -0.523 . . . . 73.44 109.587 174.747 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 41.7 ttm -72.44 -23.73 61.11 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 115.993 -0.549 . . . . 70.13 110.61 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 9.8 mm-40 . . . . . 0 N--CA 1.483 1.177 0 C-N-CA 122.891 0.476 . . . . 63.23 111.047 170.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 80.7 p . . . . . 0 C--O 1.246 0.885 0 CA-C-O 120.432 0.158 . . . . 71.04 111.002 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -51.94 -68.73 0.15 Allowed 'General case' 0 C--N 1.357 0.913 0 C-N-CA 124.837 1.255 . . . . 72.32 112.913 -172.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.2 m -55.9 -44.69 78.46 Favored 'General case' 0 C--O 1.249 1.071 0 O-C-N 124.342 1.026 . . . . 63.25 112.498 -172.017 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 62.9 mt -58.78 -53.6 45.2 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 O-C-N 124.163 0.915 . . . . 72.25 109.824 178.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -62.63 -36.61 83.36 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 123.85 0.719 . . . . 75.44 111.371 -176.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -65.68 -50.04 66.37 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 122.724 0.41 . . . . 54.01 111.351 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 75.7 mtm -64.14 -46.16 85.31 Favored 'General case' 0 N--CA 1.485 1.319 0 O-C-N 123.612 0.57 . . . . 74.24 110.713 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.1 t -58.97 -47.7 88.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 124.542 1.137 . . . . 64.31 111.08 178.233 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.72 -32.88 74.76 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.601 0.76 . . . . 75.11 110.851 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.435 ' O ' ' HG3' ' A' ' 70' ' ' GLN . . . -62.24 -48.01 85.65 Favored Glycine 0 C--N 1.353 1.502 0 O-C-N 123.783 0.677 . . . . 21.23 111.455 172.282 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -66.29 -29.13 69.29 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.359 0.664 . . . . 74.13 111.633 178.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.4 mt -70.27 -41.61 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 124.009 0.924 . . . . 75.01 109.914 176.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -60.56 -45.24 94.64 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.507 0.323 . . . . 75.42 110.249 174.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 66' ' ' GLY . 74.9 mt-30 -56.48 -59.07 5.52 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 124.655 1.222 . . . . 61.33 110.302 178.694 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.407 ' OG1' HG22 ' A' ' 14' ' ' ILE . 14.6 t -68.92 -37.87 79.2 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 112.405 0.52 . . . . 73.15 112.405 -171.076 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.9 mt -70.81 -34.72 72.02 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 118.081 0.4 . . . . 73.32 111.349 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -72.02 -46.05 58.55 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 122.529 0.332 . . . . 75.54 110.512 176.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.513 ' HA ' HD22 ' A' ' 22' ' ' LEU . 94.2 m-20 -61.9 -44.79 96.08 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.425 0.69 . . . . 63.03 110.536 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.485 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 37.0 tt0 -74.28 -28.15 61.06 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 124.144 0.902 . . . . 73.3 111.068 -178.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -61.54 -51.25 69.37 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-O 121.382 0.61 . . . . 65.32 109.787 172.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.92 -41.27 97.7 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 114.421 -1.263 . . . . 74.45 110.435 178.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.485 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 30.6 mt -57.58 -45.19 85.51 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.971 0.908 . . . . 65.32 111.465 172.1 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -62.43 -52.34 63.96 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.827 0.851 . . . . 73.53 110.221 -173.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.23 -41.94 91.39 Favored Glycine 0 C--N 1.349 1.268 0 O-C-N 123.899 0.749 . . . . 62.12 113.199 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.4 tt -60.95 -52.62 64.24 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.011 0.924 . . . . 73.4 110.232 -178.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.525 HD13 ' HE1' ' A' 1008 ' ' TRP . 24.3 mt -74.16 -24.84 59.46 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.16 0.984 . . . . 73.03 111.59 -175.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.7 tm0? -65.1 -48.3 74.15 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 109.257 -0.646 . . . . 74.22 109.257 172.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -73.0 -28.38 62.34 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 115.809 -0.632 . . . . 70.11 111.453 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -72.11 -51.21 22.54 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 109.586 -0.524 . . . . 74.44 109.586 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.62 HD11 ' HB3' ' A' 1005 ' ' LEU . 84.4 mt -63.79 -30.47 71.56 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 123.532 0.52 . . . . 40.4 111.265 176.257 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -56.25 -57.45 12.19 Favored 'General case' 0 C--O 1.244 0.779 0 O-C-N 123.99 0.806 . . . . 74.34 109.641 171.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -60.35 -44.72 95.29 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.438 -0.801 . . . . 71.13 111.475 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 88.1 mt -60.73 -44.33 96.79 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.595 0.758 . . . . 53.43 111.36 -176.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 80.8 p . . . . . 0 N--CA 1.479 0.998 0 C-N-CA 122.661 0.384 . . . . 75.54 110.862 178.021 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 57.9 ttp . . . . . 0 N--CA 1.476 0.829 0 CA-C-O 120.505 0.193 . . . . 72.24 111.0 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 41.2 p -69.76 -51.59 32.7 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 115.801 -0.636 . . . . 72.35 110.923 -175.257 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 31.1 m -59.17 -43.11 92.12 Favored 'General case' 0 CA--C 1.55 0.956 0 O-C-N 123.595 0.559 . . . . 44.53 111.562 -178.074 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -60.32 -59.9 4.67 Favored 'General case' 0 C--N 1.358 0.948 0 O-C-N 123.628 0.58 . . . . 73.45 110.557 175.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1005 ' ' LEU . . . . . 0.62 ' HB3' HD11 ' A' ' 86' ' ' LEU . 43.2 mt -66.33 -24.78 66.58 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.282 0.845 . . . . 73.13 113.282 -173.346 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 41.4 p -76.32 -46.61 26.93 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 118.524 0.602 . . . . 62.31 110.027 175.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 45.6 ttm-85 -59.69 -34.75 73.28 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-O 121.611 0.72 . . . . 73.21 110.046 173.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1008 ' ' TRP . . . . . 0.537 ' HH2' HD13 ' A' ' 21' ' ' LEU . 5.9 t-105 -66.92 -53.24 33.91 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.169 1.388 . . . . 74.53 109.699 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1009 ' ' LEU . . . . . . . . . . . . . 62.9 mt -63.04 -36.42 83.51 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 122.966 0.507 . . . . 44.01 111.706 -178.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 9.6 t -76.16 -27.56 57.02 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 110.494 -0.188 . . . . 71.34 110.494 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -76.51 -27.47 56.02 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.098 0.559 . . . . 75.24 111.111 173.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1012 ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' 1008 ' ' TRP . 30.7 mt -69.88 -50.36 43.19 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 109.136 -0.69 . . . . 74.11 109.136 175.255 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 21.2 t70 -60.19 -36.91 78.7 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 114.741 -1.118 . . . . 62.43 110.566 177.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 7.7 t30 -62.59 -48.57 78.86 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 123.443 0.697 . . . . 72.13 110.813 175.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1015 ' ' PHE . . . . . 0.425 ' CD2' HG23 ' A' ' 44' ' ' ILE . 32.9 t80 -60.19 -56.84 16.7 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 123.658 0.599 . . . . 72.42 109.868 179.447 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -41.75 -57.82 2.2 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.912 1.685 . . . . 53.22 112.091 175.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -64.78 -55.27 20.76 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 115.149 -0.932 . . . . 64.05 111.705 -175.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 65.1 tttm -67.71 -33.42 74.86 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.454 1.101 . . . . 50.24 111.555 -171.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1019 ' ' MET . . . . . 0.648 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.3 OUTLIER -80.86 -27.72 36.28 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.904 -0.589 . . . . 70.22 110.424 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -70.27 -26.78 63.98 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 110.148 -0.315 . . . . 55.51 110.148 167.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 95.8 mt -86.65 -11.72 50.51 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 118.401 -0.809 . . . . 71.0 112.455 177.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1022 ' ' LEU . . . . . 0.648 ' HG ' ' HA ' ' A' 1019 ' ' MET . 31.0 mt . . . . . 0 N--CA 1.498 1.947 0 C-N-CA 123.139 0.576 . . . . 73.12 111.573 169.23 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.9 m . . . . . 0 N--CA 1.481 1.118 0 N-CA-C 112.979 0.733 . . . . 74.51 112.979 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.9 m -73.43 -11.73 60.57 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 112.236 0.458 . . . . 44.14 112.236 -175.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 50.2 m -71.82 -57.01 4.71 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.588 0.755 . . . . 64.44 109.937 174.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.3 p -65.04 -32.35 57.9 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.989 0 C-N-CA 122.86 0.464 . . . . 73.0 109.902 178.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -56.88 -60.53 3.44 Favored 'General case' 0 C--N 1.365 1.261 0 N-CA-C 109.784 -0.45 . . . . 72.02 109.784 171.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -58.21 -52.58 64.98 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.284 1.033 . . . . 71.13 110.767 -171.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.609 HD11 HG12 ' A' ' 60' ' ' ILE . 69.9 mt -66.81 -46.28 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 123.905 0.882 . . . . 62.3 111.644 -175.015 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -71.79 -30.27 65.35 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-N 117.694 0.224 . . . . 75.5 111.493 -175.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.434 ' HD3' HG23 ' A' ' 46' ' ' THR . 94.5 mtt180 -72.22 -51.41 21.21 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 118.842 -0.599 . . . . 73.25 110.045 177.022 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 58.2 m95 -56.86 -37.6 71.54 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 123.605 0.565 . . . . 73.35 110.985 175.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -60.8 -51.7 68.2 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 123.943 0.777 . . . . 55.51 109.841 176.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -62.75 -36.47 83.15 Favored 'General case' 0 C--O 1.212 -0.877 0 O-C-N 124.305 1.003 . . . . 75.12 111.204 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.462 HG22 ' OG1' ' A' ' 71' ' ' THR . 89.9 mt -68.78 -39.22 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 123.658 0.783 . . . . 74.32 110.165 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.5 -42.33 87.51 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.55 0.74 . . . . 72.42 111.09 177.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.2 mt -71.05 -39.42 72.26 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.912 0.885 . . . . 74.55 110.893 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' A' ' 40' ' ' TYR . 38.2 mt -64.0 -48.49 76.18 Favored 'General case' 0 C--O 1.211 -0.967 0 C-N-CA 123.216 0.606 . . . . 43.34 109.468 176.277 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.3 p -66.07 -37.93 87.03 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.573 0.546 . . . . 70.21 111.418 -174.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -71.33 -35.22 71.14 Favored 'General case' 0 N--CA 1.484 1.252 0 O-C-N 123.171 0.295 . . . . 72.33 110.835 177.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.42 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 67.5 m -61.56 -60.01 4.34 Favored 'General case' 0 C--N 1.356 0.884 0 N-CA-C 108.942 -0.762 . . . . 72.02 108.942 173.669 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.631 HD13 ' HH2' ' A' 1008 ' ' TRP . 35.5 mt -52.21 -36.76 53.01 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.701 1.6 . . . . 72.24 112.032 178.168 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.58 HD22 ' HA ' ' A' ' 74' ' ' ASN . 37.2 tp -64.19 -56.12 16.92 Favored 'General case' 0 C--O 1.246 0.872 0 C-N-CA 123.643 0.777 . . . . 71.35 110.72 179.101 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 38.8 tt0 -59.84 -40.92 90.17 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 124.329 1.018 . . . . 61.22 109.684 -179.093 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.512 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 96.2 mt -66.92 -35.39 79.88 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.407 1.083 . . . . 74.33 111.343 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.56 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -65.41 -42.88 92.08 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.979 0.512 . . . . 63.24 109.688 177.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -65.47 -33.65 76.44 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 115.075 -0.966 . . . . 75.34 111.451 174.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.441 ' HD2' HD23 ' A' ' 24' ' ' LEU . 92.5 mtt-85 -73.37 -25.98 60.81 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.265 0.626 . . . . 53.34 111.221 176.507 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.2 13.85 55.31 Favored Glycine 0 C--N 1.348 1.219 0 O-C-N 123.409 0.443 . . . . 61.24 113.487 -176.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.512 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 41.1 mm-40 -77.04 75.5 3.61 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.52 1.128 . . . . 73.01 110.836 178.65 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -72.98 -28.85 62.63 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.598 0.359 . . . . 75.3 110.926 -177.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -59.68 -49.41 77.83 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.351 0.661 . . . . 63.32 110.717 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 78.0 mt -63.65 -34.13 77.15 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.615 0.766 . . . . 72.41 111.89 177.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.442 HD21 ' HB2' ' A' ' 25' ' ' ALA . 10.0 mp -66.15 -37.62 86.12 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 119.409 -0.329 . . . . 74.31 111.772 173.617 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.65 -36.88 73.62 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.195 0.598 . . . . 64.03 111.048 177.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -71.13 -52.66 18.0 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.338 0.655 . . . . 75.52 110.222 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.518 ' HB2' HD21 ' A' ' 21' ' ' LEU . 82.8 mt-30 -79.42 -10.86 59.89 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.277 1.031 . . . . 74.2 111.704 -178.142 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.425 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 11.0 tt0 -44.11 -63.78 0.8 Allowed 'General case' 0 C--N 1.366 1.302 0 C-N-CA 123.428 0.691 . . . . 74.43 110.87 171.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.409 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 6.0 p -58.1 -42.65 83.58 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 O-C-N 124.319 1.012 . . . . 70.24 111.107 -176.634 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.7 m -60.38 -46.14 91.04 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.389 0.676 . . . . 62.13 111.312 -178.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.436 ' HA ' HD13 ' A' ' 17' ' ' LEU . 55.4 t80 -67.35 -45.07 77.41 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.234 1.014 . . . . 63.11 110.564 -176.777 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 57.3 mt -67.28 -40.1 86.09 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 123.981 0.801 . . . . 72.14 110.782 -177.579 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 85.1 mm-40 -67.31 -36.77 82.18 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.506 0.323 . . . . 74.31 110.616 178.504 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.8 m -61.82 -40.29 94.74 Favored 'General case' 0 CA--C 1.551 0.993 0 O-C-N 123.595 0.56 . . . . 53.22 110.875 173.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.0 mt -61.1 -47.46 93.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.278 1.031 . . . . 70.34 111.156 176.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.45 -54.47 46.43 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.631 0.772 . . . . 73.31 111.153 178.005 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.434 HG23 ' HD3' ' A' ' 10' ' ' ARG . 14.8 t -72.28 -24.02 61.28 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 112.603 0.594 . . . . 62.52 112.603 -173.2 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.6 p -79.99 -41.14 21.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 CA-C-N 118.293 0.497 . . . . 51.12 110.353 176.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.475 ' SD ' ' HG2' ' A' 1018 ' ' LYS . 53.9 ttm -78.53 -14.49 59.32 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.035 0.534 . . . . 73.43 109.867 -178.32 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 . . . . . 0 CA--C 1.553 1.058 0 C-N-CA 124.256 1.023 . . . . 73.12 110.952 172.265 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.9 t . . . . . 0 N--CA 1.485 1.284 0 N-CA-C 111.85 0.315 . . . . 65.24 111.85 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -58.34 -32.37 68.46 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.18 0.992 . . . . 74.32 112.717 -171.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.7 m -63.78 -56.71 13.49 Favored 'General case' 0 C--O 1.249 1.073 0 C-N-CA 123.093 0.557 . . . . 64.54 111.09 -178.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.609 HG12 HD11 ' A' ' 8' ' ' ILE . 66.3 mt -60.74 -49.99 82.28 Favored 'Isoleucine or valine' 0 C--N 1.357 0.91 0 CA-C-N 115.515 -0.766 . . . . 73.44 109.265 178.133 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -56.51 -40.04 74.35 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 124.212 0.945 . . . . 72.23 111.72 -178.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -67.29 -57.62 6.32 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.517 0.727 . . . . 72.53 111.199 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 69.7 mtm -61.67 -48.38 81.08 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 123.582 0.551 . . . . 55.03 110.516 -175.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 22.8 t -59.82 -43.92 92.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 124.37 1.068 . . . . 63.31 111.327 178.112 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.72 -34.09 77.09 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 117.922 0.328 . . . . 70.54 110.477 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.8 -46.6 93.79 Favored Glycine 0 C--N 1.348 1.214 0 N-CA-C 111.112 -0.795 . . . . 75.43 111.112 173.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -70.2 -31.57 69.08 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.16 0.984 . . . . 63.51 111.634 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.448 HG23 ' HE1' ' A' 1019 ' ' MET . 17.9 mt -69.57 -55.19 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.338 1.055 . . . . 73.34 109.901 -178.701 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -63.67 -36.21 83.1 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 123.557 0.536 . . . . 54.54 110.212 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -62.42 -54.94 32.91 Favored 'General case' 0 C--N 1.357 0.91 0 O-C-N 123.846 0.716 . . . . 55.24 110.807 176.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.462 ' OG1' HG22 ' A' ' 14' ' ' ILE . 6.4 t -69.34 -36.42 76.89 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 123.45 0.469 . . . . 74.34 111.74 -172.271 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.471 HD22 ' HG2' ' A' 1016 ' ' GLU . 83.5 mt -70.93 -35.79 72.38 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.651 0.594 . . . . 74.25 111.159 177.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -65.11 -45.82 83.56 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-O 120.958 0.409 . . . . 62.31 110.133 174.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.58 ' HA ' HD22 ' A' ' 22' ' ' LEU . 86.1 m-20 -65.34 -40.02 93.1 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 115.282 -0.872 . . . . 71.4 110.71 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.581 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 36.1 tt0 -79.53 -21.32 45.37 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.951 0.9 . . . . 74.35 110.754 -178.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -69.17 -46.22 68.06 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 108.667 -0.864 . . . . 60.5 108.667 172.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.3 mt -69.65 -35.26 75.03 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 114.685 -1.143 . . . . 74.15 110.957 177.034 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.581 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 19.5 mt -62.15 -46.02 90.87 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.643 0.777 . . . . 63.03 110.441 171.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -62.03 -49.82 74.48 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.908 0.755 . . . . 71.33 109.903 -177.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.47 -49.22 75.87 Favored Glycine 0 C--N 1.351 1.385 0 O-C-N 123.967 0.792 . . . . 65.41 112.597 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.56 HD22 ' HB1' ' A' ' 25' ' ' ALA . 10.5 tt -62.86 -60.3 3.67 Favored 'General case' 0 C--O 1.215 -0.747 0 C-N-CA 123.489 0.716 . . . . 62.33 110.359 -178.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.633 HD13 ' HE1' ' A' 1008 ' ' TRP . 41.4 mt -64.26 -34.09 77.31 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.992 0.917 . . . . 73.25 112.905 -173.226 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.1 tm0? -68.03 -46.72 70.4 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 108.746 -0.835 . . . . 54.21 108.746 175.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -61.33 -36.71 80.91 Favored 'General case' 0 C--N 1.357 0.904 0 O-C-N 123.883 0.739 . . . . 73.43 110.796 176.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -75.26 -44.19 47.26 Favored 'General case' 0 C--O 1.21 -1.015 0 C-N-CA 123.847 0.859 . . . . 74.22 110.821 -174.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.516 HD11 ' HB3' ' A' 1005 ' ' LEU . 98.5 mt -67.57 -38.57 84.27 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 117.919 0.327 . . . . 70.31 110.591 177.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -63.11 -45.66 90.96 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.762 0.825 . . . . 74.1 110.578 174.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -63.21 -56.91 12.73 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.881 0.872 . . . . 62.42 109.874 -178.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 96.9 mt -54.57 -42.02 70.54 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.056 1.343 . . . . 75.12 111.733 178.361 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 94.5 p . . . . . 0 N--CA 1.476 0.862 0 C-N-CA 122.201 0.201 . . . . 73.11 110.617 -179.767 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 51.1 ttp . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 120.656 0.265 . . . . 74.24 110.969 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 40.4 p -70.85 -45.37 64.6 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.509 -0.768 . . . . 41.31 111.451 -174.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 4.5 t -62.12 -38.77 90.19 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 123.255 0.347 . . . . 73.23 110.294 -178.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -71.76 -43.6 65.48 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 116.001 -0.545 . . . . 62.52 110.63 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1005 ' ' LEU . . . . . 0.516 ' HB3' HD11 ' A' ' 86' ' ' LEU . 52.7 mt -67.94 -32.81 73.52 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 112.023 0.379 . . . . 72.42 112.023 178.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 55.2 p -73.1 -43.23 62.05 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 118.021 0.373 . . . . 53.5 110.662 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -67.54 -29.56 68.98 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 120.992 0.425 . . . . 74.2 110.246 175.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1008 ' ' TRP . . . . . 0.633 ' HE1' HD13 ' A' ' 82' ' ' LEU . 0.8 OUTLIER -67.55 -41.19 84.67 Favored 'General case' 0 C--O 1.216 -0.687 0 C-N-CA 124.848 1.259 . . . . 71.51 109.962 177.138 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1009 ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' 1005 ' ' LEU . 91.3 mt -73.46 -30.91 63.49 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 109.34 -0.615 . . . . 70.55 109.34 -179.237 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 95.5 m -64.48 -40.43 95.68 Favored 'General case' 0 CA--C 1.551 1.004 0 O-C-N 124.131 0.894 . . . . 73.03 110.536 171.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -73.95 -31.94 63.27 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.624 0.77 . . . . 71.42 111.162 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1012 ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' 1008 ' ' TRP . 26.7 mt -69.16 -43.41 74.34 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 108.508 -0.923 . . . . 73.25 108.508 176.158 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 22.0 t70 -59.62 -43.89 93.65 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 114.682 -1.144 . . . . 63.23 110.732 177.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 63.8 t30 -64.43 -47.97 77.11 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 124.054 0.846 . . . . 71.12 110.389 -178.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 38.0 t80 -61.65 -58.79 6.67 Favored 'General case' 0 C--N 1.357 0.901 0 C-N-CA 123.557 0.743 . . . . 73.25 110.701 178.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1016 ' ' GLU . . . . . 0.471 ' HG2' HD22 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -49.29 -53.68 20.69 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.236 1.414 . . . . 73.24 110.924 -177.622 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1017 ' ' ALA . . . . . 0.449 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -61.1 -58.9 6.44 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 124.138 0.899 . . . . 52.25 110.733 -178.398 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1018 ' ' LYS . . . . . 0.475 ' HG2' ' SD ' ' A' ' 48' ' ' MET . 0.4 OUTLIER -59.09 -40.33 84.94 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.478 0.711 . . . . 74.03 112.232 -175.924 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1019 ' ' MET . . . . . 0.613 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.3 OUTLIER -78.85 -24.0 44.64 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 116.582 -0.281 . . . . 73.22 110.918 -174.182 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -70.21 -36.25 74.46 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 109.267 -0.642 . . . . 64.3 109.267 167.014 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1021 ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' 1017 ' ' ALA . 93.4 mt -78.41 -11.95 59.98 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 118.276 -0.868 . . . . 63.0 112.0 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1022 ' ' LEU . . . . . 0.613 ' HG ' ' HA ' ' A' 1019 ' ' MET . 38.8 mt . . . . . 0 N--CA 1.5 2.034 0 C-N-CA 123.637 0.775 . . . . 74.02 111.46 171.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.8 p . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 110.214 -0.291 . . . . 64.24 110.214 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.8 t -55.27 -42.87 74.11 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.081 0.952 . . . . 61.42 111.191 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 50.3 m -59.08 -57.88 11.12 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.129 1.372 . . . . 72.12 111.624 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.9 p -68.41 -33.78 62.12 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 O-C-N 123.315 0.384 . . . . 63.24 110.64 -172.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -66.95 -48.7 67.79 Favored 'General case' 0 C--O 1.217 -0.652 0 C-N-CA 122.401 0.28 . . . . 73.22 110.299 176.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -58.42 -51.28 70.5 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.391 0.676 . . . . 72.21 110.808 -177.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.664 HD11 HG12 ' A' ' 60' ' ' ILE . 97.2 mt -64.03 -44.94 97.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.15 0.98 . . . . 62.31 111.391 -178.552 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -69.29 -39.55 78.26 Favored 'General case' 0 N--CA 1.484 1.266 0 O-C-N 123.397 0.436 . . . . 45.11 111.278 -176.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.53 ' HD3' HG23 ' A' ' 46' ' ' THR . 84.7 mtt180 -69.33 -40.69 77.43 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.747 0.654 . . . . 73.04 110.335 -178.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 36.3 m95 -65.28 -39.37 92.5 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 123.1 0.25 . . . . 65.4 111.426 173.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.414 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 59.2 tt0 -59.76 -42.83 94.12 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 123.969 0.793 . . . . 72.21 109.971 176.017 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -65.5 -44.0 88.42 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 123.901 0.751 . . . . 73.11 110.889 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 10' ' ' ARG . 73.0 mt -64.41 -35.72 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 122.947 0.499 . . . . 72.34 110.607 178.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.55 -50.76 66.03 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.802 0.841 . . . . 73.25 110.716 177.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 97.7 mt -63.98 -42.43 97.22 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 115.161 -0.927 . . . . 63.1 110.633 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 40' ' ' TYR . 55.9 mt -62.81 -57.44 10.88 Favored 'General case' 0 C--O 1.213 -0.861 0 C-N-CA 124.012 0.925 . . . . 74.52 110.252 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 81.1 p -57.46 -37.38 72.79 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.846 0.858 . . . . 50.04 111.672 -177.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -63.37 -49.03 75.45 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.709 0.804 . . . . 54.15 110.955 176.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.7 m -60.9 -44.98 96.38 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 123.875 0.735 . . . . 74.34 110.406 178.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.534 HD13 ' HH2' ' A' 1008 ' ' TRP . 60.9 mt -64.24 -36.67 84.84 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.837 1.255 . . . . 71.42 110.634 -179.572 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.633 HD22 ' HA ' ' A' ' 74' ' ' ASN . 35.2 tp -65.53 -44.53 86.58 Favored 'General case' 0 C--N 1.351 0.647 0 C-N-CA 122.999 0.52 . . . . 74.22 109.882 178.409 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -59.84 -40.57 88.96 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 124.078 0.862 . . . . 53.24 109.995 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.406 ' HA ' ' HB2' ' A' ' 27' ' ' ARG . 75.8 mt -72.85 -25.63 61.18 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.11 0.964 . . . . 74.23 112.202 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.553 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -74.39 -39.72 62.51 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.047 0.539 . . . . 75.01 109.654 173.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -68.19 -28.32 67.16 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.835 0.854 . . . . 73.11 110.672 174.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.406 ' HB2' ' HA ' ' A' ' 24' ' ' LEU . 10.1 mmm180 -81.92 -27.44 33.35 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.272 1.029 . . . . 64.31 111.563 176.712 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.68 11.67 67.97 Favored Glycine 0 C--N 1.341 0.825 0 CA-C-O 119.467 -0.63 . . . . 42.23 113.605 -175.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.37 82.99 4.62 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.171 0.588 . . . . 75.11 110.457 174.74 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -73.91 -26.7 60.67 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 115.856 -0.611 . . . . 72.4 109.908 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -52.84 -51.67 60.07 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.805 1.242 . . . . 72.33 111.999 175.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.2 mt -73.68 -22.95 59.78 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.752 -0.658 . . . . 64.51 111.585 -176.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 42.1 mt -67.58 -43.67 80.0 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 109.555 -0.535 . . . . 62.15 109.555 171.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.69 -31.99 69.06 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.458 0.703 . . . . 62.41 111.862 177.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -70.27 -47.94 59.05 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.375 0.67 . . . . 65.22 110.214 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -87.25 -10.41 52.53 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.441 1.096 . . . . 53.54 112.0 -176.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.497 ' HG3' ' CE3' ' A' 1008 ' ' TRP . 31.3 tt0 -43.87 -56.71 3.71 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 124.087 0.955 . . . . 63.24 111.72 176.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.6 p -55.43 -41.2 61.59 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 C-N-CA 123.91 0.884 . . . . 71.52 112.155 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.4 m -72.24 -38.25 68.96 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.288 0.635 . . . . 72.11 112.156 -177.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.423 ' HA ' HD13 ' A' ' 17' ' ' LEU . 35.5 t80 -71.25 -46.29 61.33 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.178 0.591 . . . . 71.23 110.507 -177.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 77.9 mt -69.1 -33.42 73.47 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 123.822 0.701 . . . . 70.3 110.6 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -62.59 -45.01 94.88 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.417 0.687 . . . . 71.24 110.946 172.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.432 ' HA ' HG22 ' A' ' 46' ' ' THR . 6.7 t -67.57 -37.81 83.19 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 123.057 0.543 . . . . 63.22 109.899 -178.18 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.2 mt -59.12 -56.37 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.85 1.26 . . . . 75.55 111.329 176.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 12.5 pt-20 -67.35 -37.01 82.57 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 116.577 -0.283 . . . . 71.31 110.981 -176.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.53 HG23 ' HD3' ' A' ' 10' ' ' ARG . 4.3 t -71.75 -31.71 66.95 Favored 'General case' 0 C--N 1.36 1.048 0 O-C-N 122.998 0.186 . . . . 54.54 111.443 -175.613 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.9 p -77.49 -31.78 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 O-C-N 122.132 -0.355 . . . . 63.11 110.238 173.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 39.8 ttm -77.37 -12.2 59.93 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 122.615 0.366 . . . . 74.43 110.77 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' ' 45' ' ' GLU . 50.9 mt-10 . . . . . 0 N--CA 1.484 1.262 0 C-N-CA 122.909 0.484 . . . . 74.43 110.6 165.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.484 1.241 0 CA-C-O 119.906 -0.092 . . . . 72.34 111.025 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -58.11 -40.16 80.49 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.251 1.02 . . . . 74.31 111.476 -172.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.8 m -55.11 -55.79 27.08 Favored 'General case' 0 C--O 1.247 0.942 0 C-N-CA 123.617 0.767 . . . . 74.5 111.759 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.664 HG12 HD11 ' A' ' 8' ' ' ILE . 57.9 mt -67.8 -38.84 80.88 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-N 115.057 -0.974 . . . . 74.13 109.958 -178.703 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -53.38 -54.6 34.37 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.471 0.708 . . . . 64.11 110.433 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.68 -43.49 47.14 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 123.965 0.79 . . . . 62.24 112.139 -173.028 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 74.6 mtm -61.26 -50.46 72.94 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-O 120.648 0.261 . . . . 50.23 110.861 179.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.0 t -66.99 -37.26 79.04 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.701 0 CA-C-N 115.574 -0.739 . . . . 74.14 111.198 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.81 -31.59 72.6 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-N 118.182 0.446 . . . . 73.15 110.821 175.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.52 -44.73 71.16 Favored Glycine 0 C--N 1.351 1.369 0 O-C-N 123.911 0.757 . . . . 75.11 111.6 173.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -67.66 -28.97 68.16 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.074 0.55 . . . . 54.42 111.18 178.11 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.459 HG23 ' HE1' ' A' 1019 ' ' MET . 20.5 mt -74.02 -43.69 51.6 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 124.744 1.218 . . . . 53.5 109.643 179.008 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -61.59 -42.65 99.16 Favored 'General case' 0 C--N 1.35 0.625 0 N-CA-C 109.724 -0.473 . . . . 74.22 109.724 174.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -56.77 -60.14 4.0 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 123.954 0.784 . . . . 64.34 110.176 176.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.421 ' OG1' HG22 ' A' ' 14' ' ' ILE . 14.7 t -66.57 -42.41 87.1 Favored 'General case' 0 C--O 1.212 -0.891 0 CA-C-O 118.968 -0.539 . . . . 75.53 112.09 -171.146 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.42 HD21 ' SD ' ' A' 1019 ' ' MET . 67.9 mt -69.89 -34.68 73.84 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 119.302 -0.38 . . . . 63.14 111.811 -177.356 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -73.76 -46.28 46.67 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 122.835 0.454 . . . . 72.53 109.886 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.633 ' HA ' HD22 ' A' ' 22' ' ' LEU . 90.4 m-20 -62.0 -41.69 98.32 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.77 0.828 . . . . 64.5 110.672 178.378 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.567 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 35.1 tt0 -77.56 -29.05 52.01 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.016 0.926 . . . . 72.45 110.831 -178.109 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -60.8 -46.98 88.38 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 109.204 -0.665 . . . . 74.12 109.204 172.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.7 mt -69.82 -34.59 73.89 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 114.663 -1.153 . . . . 72.34 111.4 176.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.567 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 18.1 mt -59.81 -63.35 1.33 Allowed 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.178 0.591 . . . . 74.43 110.504 174.163 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.456 ' HE2' ' HG2' ' A' ' 75' ' ' GLU . 45.4 mtmt -55.59 -38.87 69.97 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.291 1.037 . . . . 64.12 112.828 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.33 -51.87 55.24 Favored Glycine 0 C--N 1.344 0.998 0 O-C-N 123.368 0.417 . . . . 75.14 112.365 175.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.553 HD22 ' HB1' ' A' ' 25' ' ' ALA . 10.1 tt -68.38 -39.23 81.82 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.222 1.009 . . . . 61.45 111.26 -176.758 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.513 HD13 ' HE1' ' A' 1008 ' ' TRP . 36.2 mt -79.2 -31.85 43.86 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.063 0.945 . . . . 70.31 111.011 -174.231 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 59.1 tp60 -68.8 -47.46 66.05 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.96 -0.756 . . . . 73.32 108.96 173.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.414 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 7.2 tp-100 -53.76 -41.54 67.27 Favored 'General case' 0 CA--C 1.55 0.955 0 O-C-N 124.312 1.008 . . . . 70.22 110.945 173.578 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -75.18 -41.58 57.73 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.515 0.726 . . . . 72.42 111.126 -174.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.454 HD23 HD12 ' A' ' 89' ' ' LEU . 88.8 mt -73.22 -21.91 60.55 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.962 0.505 . . . . 53.52 111.055 179.075 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -74.68 -40.25 61.5 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.021 -0.733 . . . . 70.13 109.021 173.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 84' ' ' GLN . 46.1 mt-10 -57.79 -56.21 24.83 Favored 'General case' 0 C--N 1.366 1.301 0 O-C-N 123.765 0.666 . . . . 62.14 109.656 171.122 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.454 HD12 HD23 ' A' ' 86' ' ' LEU . 95.2 mt -59.67 -37.51 78.96 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.929 1.292 . . . . 75.44 112.239 -178.299 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 C--N 1.35 0.628 0 N-CA-C 109.218 -0.66 . . . . 73.05 109.218 174.894 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 51.2 ttp . . . . . 0 CA--C 1.548 0.889 0 N-CA-C 111.721 0.267 . . . . 71.32 111.721 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 40.3 p -70.74 -54.04 13.26 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-O 119.167 -0.444 . . . . 72.55 111.887 -176.253 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 85.6 m -58.58 -41.49 85.86 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.17 0.588 . . . . 41.45 111.105 -178.091 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -62.52 -53.57 52.76 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 123.902 0.751 . . . . 71.24 110.623 175.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1005 ' ' LEU . . . . . 0.486 ' HA ' ' HB3' ' A' 1008 ' ' TRP . 36.4 mt -67.77 -27.83 67.09 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 112.637 0.606 . . . . 73.02 112.637 -176.593 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 40.8 p -76.16 -45.17 34.72 Favored 'General case' 0 C--O 1.25 1.088 0 CA-C-N 118.547 0.612 . . . . 74.13 110.23 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1007 ' ' ARG . . . . . 0.413 ' HA ' HG22 ' A' 1010 ' ' THR . 46.9 ttt85 -65.09 -30.69 71.66 Favored 'General case' 0 CA--C 1.555 1.136 0 CA-C-O 121.417 0.627 . . . . 72.44 110.001 174.024 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1008 ' ' TRP . . . . . 0.536 ' O ' ' HG ' ' A' 1012 ' ' LEU . 3.3 t-105 -65.63 -48.73 71.23 Favored 'General case' 0 C--O 1.218 -0.593 0 C-N-CA 124.658 1.183 . . . . 74.5 109.879 174.288 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1009 ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' 1005 ' ' LEU . 65.5 mt -63.44 -34.62 78.14 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 118.025 0.375 . . . . 71.32 111.22 -179.025 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1010 ' ' THR . . . . . 0.413 HG22 ' HA ' ' A' 1007 ' ' ARG . 13.0 t -79.31 -25.68 42.35 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-N 117.972 0.351 . . . . 74.13 111.521 176.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -71.63 -35.98 70.59 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 110.051 -0.351 . . . . 62.21 110.051 174.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1012 ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' 1008 ' ' TRP . 27.0 mt -72.46 -36.89 68.6 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.751 0.82 . . . . 71.13 110.024 176.313 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 20.9 t70 -67.92 -40.91 83.29 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.978 0.911 . . . . 64.14 110.576 178.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 54.9 t30 -68.48 -41.45 80.08 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.709 0.804 . . . . 61.22 110.067 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 35.4 t80 -57.16 -58.8 6.61 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 123.401 0.681 . . . . 74.54 110.09 173.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -52.49 -44.69 65.8 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 124.52 1.138 . . . . 72.3 111.446 -178.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -61.24 -61.22 2.71 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 123.974 0.797 . . . . 60.31 111.02 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -59.33 -39.87 84.52 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.422 0.689 . . . . 64.35 111.693 -176.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1019 ' ' MET . . . . . 0.64 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.3 OUTLIER -81.11 -27.19 35.68 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.092 -0.504 . . . . 55.51 111.633 -171.586 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -75.57 -28.15 58.87 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 109.99 -0.374 . . . . 62.24 109.99 170.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 93.6 mt -81.4 -17.0 50.49 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 117.756 -1.116 . . . . 71.52 112.364 176.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1022 ' ' LEU . . . . . 0.64 ' HG ' ' HA ' ' A' 1019 ' ' MET . 36.7 mt . . . . . 0 N--CA 1.501 2.106 0 O-C-N 123.868 0.73 . . . . 71.23 111.593 174.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.3 p . . . . . 0 N--CA 1.488 1.436 0 N-CA-C 111.804 0.298 . . . . 64.04 111.804 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 m -63.3 -29.88 71.12 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.537 0.735 . . . . 72.41 111.399 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 44.5 m -67.8 -45.97 73.26 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.991 0.917 . . . . 62.14 110.923 176.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.4 t -62.03 -42.73 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.367 0.667 . . . . 75.44 109.674 177.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -57.77 -57.67 11.73 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 123.868 0.73 . . . . 74.44 110.389 176.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -54.97 -58.56 7.14 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 124.39 1.076 . . . . 74.43 111.455 -173.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.512 HD11 HG12 ' A' ' 60' ' ' ILE . 76.9 mt -63.73 -48.0 88.52 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.883 0 C-N-CA 124.169 0.988 . . . . 45.45 111.826 -176.068 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.5 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 21.6 m-80 -69.19 -38.73 78.8 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 118.734 -0.65 . . . . 75.43 111.376 -176.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.506 ' HD3' HG23 ' A' ' 46' ' ' THR . 98.0 mtt180 -62.66 -48.65 78.4 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 122.661 0.384 . . . . 70.34 110.084 178.416 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 52.0 m95 -56.51 -39.36 73.18 Favored 'General case' 0 N--CA 1.484 1.232 0 O-C-N 123.911 0.757 . . . . 70.11 111.048 175.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -62.92 -42.07 99.68 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.367 0.667 . . . . 73.53 111.424 175.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.5 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 27.8 mmt180 -61.3 -45.66 93.55 Favored 'General case' 0 C--N 1.36 1.05 0 N-CA-C 109.36 -0.607 . . . . 71.21 109.36 -179.361 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 10' ' ' ARG . 51.2 mt -65.91 -36.12 76.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 O-C-N 124.063 0.852 . . . . 72.24 110.757 -178.201 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.47 -49.24 74.4 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.233 0.613 . . . . 72.33 111.414 177.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.1 mt -69.06 -40.65 78.37 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 115.118 -0.947 . . . . 74.24 110.525 -178.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.6 mt -65.28 -45.62 83.75 Favored 'General case' 0 C--O 1.212 -0.886 0 C-N-CA 123.716 0.806 . . . . 65.15 109.984 178.16 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.9 p -65.17 -41.81 94.31 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 123.248 0.343 . . . . 63.51 111.118 -176.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.482 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 2.8 pt20 -72.22 -34.19 68.14 Favored 'General case' 0 C--N 1.358 0.964 0 O-C-N 123.318 0.386 . . . . 75.34 111.393 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.526 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 73.2 m -65.8 -54.89 20.88 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 109.927 -0.397 . . . . 73.52 109.927 176.336 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.616 ' HA ' HD12 ' A' ' 24' ' ' LEU . 90.5 mt -55.83 -33.13 64.19 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.905 1.282 . . . . 74.53 111.147 177.276 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' A' ' 74' ' ' ASN . 52.8 tp -64.05 -52.43 59.42 Favored 'General case' 0 C--N 1.346 0.425 0 O-C-N 123.951 0.782 . . . . 60.34 110.614 175.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 19' ' ' GLN . 19.9 mm-40 -57.18 -42.23 80.77 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 124.022 0.826 . . . . 74.45 111.268 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.616 HD12 ' HA ' ' A' ' 21' ' ' LEU . 41.7 mt -62.36 -46.25 89.5 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 114.452 -1.249 . . . . 33.01 110.319 178.654 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.476 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -65.93 -36.92 84.7 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.872 0.869 . . . . 62.24 111.342 -178.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -65.34 -37.23 86.45 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 115.498 -0.774 . . . . 62.21 110.466 176.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -88.94 -13.64 38.54 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 112.784 0.661 . . . . 74.51 112.784 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.58 12.76 56.65 Favored Glycine 0 C--N 1.351 1.384 0 N-CA-C 115.119 0.808 . . . . 63.12 115.119 176.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -76.68 77.08 3.33 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 117.8 0.8 . . . . 62.33 110.477 171.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.428 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 26.7 m95 -72.2 -29.32 63.85 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.463 0.705 . . . . 73.1 111.001 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -55.86 -46.04 78.34 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.716 1.206 . . . . 62.31 111.556 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.448 HD12 HD22 ' A' ' 24' ' ' LEU . 83.3 mt -73.25 -21.19 60.68 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.116 -0.947 . . . . 73.24 111.32 -179.013 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.573 ' HA ' HD22 ' A' ' 21' ' ' LEU . 11.2 mp -68.81 -45.52 71.02 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 109.48 -0.563 . . . . 72.44 109.48 169.296 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.48 HD22 ' HD3' ' A' 1004 ' ' ARG . 47.9 mt -67.61 -31.9 72.25 Favored 'General case' 0 N--CA 1.483 1.199 0 O-C-N 124.111 0.882 . . . . 60.31 111.246 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -72.86 -55.44 6.66 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.497 0.719 . . . . 74.45 110.568 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.567 ' HB2' HD21 ' A' ' 21' ' ' LEU . 84.7 mt-30 -79.83 -8.99 59.6 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.209 1.004 . . . . 74.32 112.028 -177.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -44.27 -53.61 6.5 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 125.41 1.484 . . . . 74.11 112.158 173.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.7 m -60.11 -42.66 90.75 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 O-C-N 123.854 0.721 . . . . 74.41 111.508 -177.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.9 m -67.2 -44.93 78.37 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.829 0.852 . . . . 74.4 111.099 -178.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -65.99 -50.77 63.12 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.219 1.007 . . . . 72.21 111.39 -176.079 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.8 mt -68.0 -35.82 78.96 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 123.826 0.704 . . . . 51.53 111.031 -178.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -62.14 -44.57 96.34 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.932 0.493 . . . . 72.32 110.944 174.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.6 m -62.05 -41.94 98.66 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.188 0.595 . . . . 60.51 110.797 177.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.428 HG23 ' CD2' ' A' 1015 ' ' PHE . 16.4 mt -58.4 -53.5 45.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.371 1.069 . . . . 75.41 111.314 178.393 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.26 -37.24 77.83 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 116.424 -0.353 . . . . 74.04 111.114 -174.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.506 HG23 ' HD3' ' A' ' 10' ' ' ARG . 6.3 t -72.99 -34.19 66.27 Favored 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 111.546 0.202 . . . . 71.15 111.546 -177.266 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.2 p -78.26 -36.88 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 O-C-N 122.035 -0.416 . . . . 74.42 110.817 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 56.9 ttm -68.13 -32.04 72.04 Favored 'General case' 0 C--N 1.358 0.954 0 N-CA-C 109.482 -0.562 . . . . 74.2 109.482 177.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 . . . . . 0 N--CA 1.473 0.718 0 C-N-CA 123.329 0.652 . . . . 62.33 111.033 173.558 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 82.0 p . . . . . 0 N--CA 1.479 0.984 0 CA-C-O 118.86 -0.59 . . . . 71.01 109.835 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.76 -39.5 52.37 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.021 0.928 . . . . 74.34 111.674 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.8 m -58.05 -58.64 7.54 Favored 'General case' 0 C--O 1.249 1.075 0 O-C-N 123.533 0.521 . . . . 41.21 111.369 -177.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.512 HG12 HD11 ' A' ' 8' ' ' ILE . 65.8 mt -63.86 -48.05 88.01 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 CA-C-N 115.179 -0.919 . . . . 72.14 109.446 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.91 -49.24 40.92 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.381 1.472 . . . . 73.01 111.241 178.235 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -74.9 -48.11 26.46 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.835 0.854 . . . . 63.12 111.056 -171.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 77.7 mtm -60.94 -49.06 78.97 Favored 'General case' 0 N--CA 1.482 1.151 0 O-C-N 123.575 0.547 . . . . 71.43 110.612 178.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.7 t -62.54 -39.36 84.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 124.118 0.967 . . . . 62.12 111.131 177.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.02 -30.63 71.62 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 122.74 0.416 . . . . 62.24 110.88 177.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.96 -42.03 79.62 Favored Glycine 0 C--N 1.353 1.501 0 O-C-N 124.063 0.852 . . . . 74.03 111.899 173.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -70.25 -28.7 65.45 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.113 0.565 . . . . 72.12 111.245 176.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.49 ' HA ' HG22 ' A' ' 71' ' ' THR . 26.6 mt -75.58 -38.91 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 124.901 1.281 . . . . 62.11 109.708 177.056 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -61.71 -45.86 92.16 Favored 'General case' 0 C--O 1.248 0.999 0 N-CA-C 109.148 -0.686 . . . . 64.51 109.148 176.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -61.06 -60.23 4.11 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 114.278 -1.328 . . . . 25.55 110.55 177.019 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.49 HG22 ' HA ' ' A' ' 68' ' ' ILE . 15.1 t -62.73 -38.99 92.7 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-O 119.194 -0.431 . . . . 74.25 112.138 -171.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.568 HD22 ' HG3' ' A' 1016 ' ' GLU . 44.8 mt -68.79 -42.34 77.51 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 111.998 0.37 . . . . 54.01 111.998 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -70.28 -46.59 64.03 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 120.786 0.327 . . . . 72.3 110.788 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.446 ' HA ' HD22 ' A' ' 22' ' ' LEU . 15.5 m120 -63.34 -42.84 98.98 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.519 1.128 . . . . 73.44 111.192 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.634 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 35.0 tt0 -75.18 -32.73 61.33 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 123.816 0.697 . . . . 65.44 110.756 -178.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -62.38 -42.6 99.54 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 108.98 -0.748 . . . . 73.41 108.98 175.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.4 mt -69.7 -34.73 74.32 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 115.013 -0.994 . . . . 74.4 111.368 174.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.634 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 5.6 mt -62.33 -64.61 0.88 Allowed 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.681 0.793 . . . . 70.42 109.864 177.718 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.476 ' O ' ' HB2' ' A' ' 83' ' ' GLN . 60.5 pttt -66.07 -29.88 70.3 Favored 'General case' 0 C--O 1.22 -0.495 0 O-C-N 124.044 0.84 . . . . 73.24 111.725 -176.23 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.29 -59.8 8.89 Favored Glycine 0 C--N 1.356 1.644 0 N-CA-C 111.506 -0.637 . . . . 52.42 111.506 174.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.476 HD22 ' HB1' ' A' ' 25' ' ' ALA . 6.8 tt -53.69 -51.42 63.28 Favored 'General case' 0 C--N 1.349 0.576 0 C-N-CA 124.021 0.928 . . . . 72.21 110.663 177.325 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.45 HD13 ' HE1' ' A' 1008 ' ' TRP . 28.9 mt -65.44 -32.02 73.42 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.647 1.179 . . . . 73.2 112.554 -175.5 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.476 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 0.4 OUTLIER -66.06 -48.43 71.07 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 107.57 -1.27 . . . . 75.2 107.57 176.625 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -61.39 -38.95 88.91 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 124.348 1.03 . . . . 73.51 111.494 177.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -69.62 -39.99 76.87 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-N 115.227 -0.897 . . . . 74.53 110.793 -177.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.536 HD11 ' HB3' ' A' 1005 ' ' LEU . 88.3 mt -74.73 -26.11 59.57 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 119.082 -0.485 . . . . 42.53 110.859 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -59.57 -51.69 68.77 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 108.517 -0.92 . . . . 74.22 108.517 168.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -59.37 -60.11 4.38 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 124.792 1.307 . . . . 65.31 110.616 -178.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 95.8 mt -53.7 -41.91 67.46 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.345 1.458 . . . . 54.21 112.162 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 75.2 m . . . . . 0 N--CA 1.482 1.137 0 N-CA-C 110.253 -0.277 . . . . 75.31 110.253 174.7 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 48.3 ttp . . . . . 0 N--CA 1.479 1.011 0 CA-C-O 120.157 0.027 . . . . 64.25 111.034 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 30.5 p -69.9 -41.83 74.2 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.367 0.267 . . . . 71.51 110.882 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 51.6 m -56.8 -47.79 79.41 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.396 0.678 . . . . 61.1 110.82 173.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1004 ' ' ARG . . . . . 0.48 ' HD3' HD22 ' A' ' 34' ' ' LEU . 60.9 mtt-85 -52.71 -60.5 3.18 Favored 'General case' 0 C--N 1.354 0.799 0 O-C-N 124.473 1.108 . . . . 71.44 110.643 175.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1005 ' ' LEU . . . . . 0.59 ' HA ' ' HB3' ' A' 1008 ' ' TRP . 59.7 mt -68.08 -28.71 67.59 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 124.353 1.033 . . . . 63.33 112.89 -171.086 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 41.4 p -71.93 -45.79 59.88 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 118.535 0.607 . . . . 73.32 109.791 175.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -66.19 -27.85 68.31 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 122.903 0.481 . . . . 74.04 111.598 174.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1008 ' ' TRP . . . . . 0.59 ' HB3' ' HA ' ' A' 1005 ' ' LEU . 4.4 t-105 -71.98 -45.26 61.67 Favored 'General case' 0 C--O 1.217 -0.61 0 C-N-CA 125.039 1.335 . . . . 74.12 109.757 179.056 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1009 ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' 1005 ' ' LEU . 72.6 mt -70.81 -32.79 69.98 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 109.505 -0.554 . . . . 55.1 109.505 -178.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 52.5 m -59.67 -48.53 81.29 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 114.334 -1.303 . . . . 71.35 110.18 170.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -70.31 -30.92 68.02 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.697 0.799 . . . . 72.33 111.82 -178.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1012 ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' 1008 ' ' TRP . 18.1 mt -71.07 -54.63 10.47 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.674 0.609 . . . . 71.33 109.755 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 11.5 t70 -63.4 -32.63 74.11 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 115.854 -0.612 . . . . 74.52 110.542 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 5.7 t30 -60.74 -47.99 83.8 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.353 1.061 . . . . 70.42 110.563 172.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1015 ' ' PHE . . . . . 0.428 ' CD2' HG23 ' A' ' 44' ' ' ILE . 38.5 t80 -60.6 -58.63 7.66 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 123.848 0.717 . . . . 73.03 110.187 178.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1016 ' ' GLU . . . . . 0.568 ' HG3' HD22 ' A' ' 72' ' ' LEU . 33.5 tt0 -51.2 -49.77 60.35 Favored 'General case' 0 C--N 1.354 0.777 0 O-C-N 124.646 1.216 . . . . 54.03 112.233 -178.206 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1017 ' ' ALA . . . . . 0.441 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -61.52 -57.99 9.91 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 123.96 0.788 . . . . 70.41 111.025 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -64.4 -30.23 71.27 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 115.762 -0.654 . . . . 50.2 112.163 -175.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1019 ' ' MET . . . . . 0.592 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.8 OUTLIER -84.61 -22.01 30.13 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 120.572 0.225 . . . . 62.44 111.007 -178.161 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -71.78 -27.82 63.21 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.931 0.492 . . . . 54.45 109.998 166.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1021 ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' 1017 ' ' ALA . 85.8 mt -80.5 -24.21 39.57 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.557 0.743 . . . . 43.25 111.752 175.091 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1022 ' ' LEU . . . . . 0.592 ' HG ' ' HA ' ' A' 1019 ' ' MET . 30.9 mt . . . . . 0 N--CA 1.499 1.993 0 C-N-CA 123.499 0.72 . . . . 72.22 111.831 175.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.9 p . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 111.51 0.189 . . . . 64.24 111.51 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.3 p -53.65 -48.33 69.51 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.955 0.902 . . . . 73.44 111.291 174.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 75.9 m -64.12 -54.25 36.76 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.791 1.236 . . . . 64.05 112.631 -177.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.0 p -65.6 -39.8 86.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 123.089 0.556 . . . . 73.51 110.342 -174.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -64.18 -42.3 96.75 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 110.158 -0.312 . . . . 73.03 110.158 175.48 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -55.6 -51.88 65.67 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 123.779 0.832 . . . . 74.44 110.636 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 72.3 mt -63.63 -46.27 95.27 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.996 0 C-N-CA 124.546 1.138 . . . . 62.2 111.347 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -70.22 -36.77 74.77 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.376 0.671 . . . . 63.02 112.038 -175.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.513 ' O ' HG13 ' A' ' 14' ' ' ILE . 69.0 mtt180 -69.47 -46.34 66.88 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 109.075 -0.713 . . . . 63.45 109.075 178.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 30.4 m95 -58.17 -40.63 81.96 Favored 'General case' 0 N--CA 1.483 1.193 0 O-C-N 123.911 0.757 . . . . 73.44 111.603 174.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -64.38 -42.31 96.22 Favored 'General case' 0 C--N 1.35 0.598 0 O-C-N 123.735 0.647 . . . . 64.4 110.125 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.9 ttm-85 -61.8 -43.0 99.71 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 124.071 0.857 . . . . 75.55 110.259 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 10' ' ' ARG . 62.0 mt -65.23 -39.97 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 O-C-N 123.749 0.655 . . . . 60.34 110.628 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.09 -47.5 79.83 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.678 0.791 . . . . 74.22 111.005 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.59 -45.34 87.36 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.893 0.877 . . . . 75.14 110.647 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 51.1 mt -62.15 -47.85 82.71 Favored 'General case' 0 C--O 1.21 -0.999 0 O-C-N 124.044 0.84 . . . . 75.12 110.552 178.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.7 t -62.76 -40.8 98.39 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 123.827 0.704 . . . . 74.54 110.679 -175.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -64.76 -49.95 68.73 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 124.045 0.84 . . . . 62.24 110.689 178.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.483 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 55.9 m -54.68 -50.72 67.56 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 124.402 1.064 . . . . 70.22 110.61 176.102 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.564 HD23 HD12 ' A' ' 24' ' ' LEU . 95.4 mt -66.47 -32.33 73.62 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 124.413 1.085 . . . . 65.23 111.096 -176.231 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.507 HD22 ' HA ' ' A' ' 74' ' ' ASN . 58.6 tp -64.83 -48.8 73.06 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 109.715 -0.476 . . . . 71.34 109.715 176.755 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -57.02 -48.27 78.89 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 124.219 0.95 . . . . 70.33 109.858 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.616 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 92.8 mt -54.2 -44.64 71.8 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.61 0.764 . . . . 71.32 111.208 177.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.602 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -63.98 -35.61 81.25 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.471 0.708 . . . . 61.13 111.569 179.169 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 10.7 mm100 -67.45 -32.24 72.95 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 123.162 0.585 . . . . 74.43 111.57 175.618 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.412 HH11 ' HB2' ' A' ' 26' ' ' GLN . 11.0 mpt_? -86.54 -22.23 26.46 Favored 'General case' 0 N--CA 1.497 1.896 0 C-N-CA 122.811 0.444 . . . . 71.3 111.621 177.49 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.75 32.16 10.42 Favored Glycine 0 N--CA 1.467 0.725 0 N-CA-C 113.323 0.089 . . . . 71.3 113.323 -176.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.616 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 10.1 mm-40 -83.85 63.68 7.66 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.289 1.036 . . . . 65.31 109.572 175.433 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 31.2 m95 -62.6 -32.65 73.7 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.03 0.932 . . . . 74.14 110.567 -175.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -62.59 -53.45 54.47 Favored 'General case' 0 C--O 1.246 0.885 0 C-N-CA 124.381 1.072 . . . . 75.44 110.54 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 78.5 mt -64.36 -28.12 69.48 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 116.025 -0.534 . . . . 72.21 110.822 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.7 mt -66.52 -49.44 66.52 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 122.908 0.483 . . . . 72.52 110.622 173.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.8 mt -65.3 -31.96 73.37 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.767 0.827 . . . . 71.51 112.155 -177.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -74.3 -57.06 4.19 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 123.336 0.654 . . . . 73.51 110.264 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -74.9 -10.81 59.84 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.296 1.039 . . . . 73.35 112.599 -177.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -47.94 -46.27 31.96 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.655 1.182 . . . . 74.03 110.805 169.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.8 t -62.05 -45.98 97.51 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.014 0 CA-C-N 115.356 -0.838 . . . . 72.21 110.633 178.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.2 m -61.48 -45.34 94.67 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.529 0.732 . . . . 73.23 111.748 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -68.0 -49.37 61.99 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.987 0.915 . . . . 63.15 111.424 -175.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.9 mt -68.48 -26.96 65.74 Favored 'General case' 0 CA--C 1.553 1.072 0 O-C-N 123.744 0.652 . . . . 73.43 110.7 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -66.7 -45.27 79.29 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.998 0.519 . . . . 72.24 110.674 171.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.0 m -63.25 -38.87 92.87 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 116.085 -0.507 . . . . 72.41 110.658 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.433 HG23 ' CD2' ' A' 1015 ' ' PHE . 43.5 mt -60.81 -55.26 25.8 Favored 'Isoleucine or valine' 0 C--O 1.252 1.216 0 C-N-CA 124.487 1.115 . . . . 72.31 111.198 176.299 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -63.28 -36.19 82.84 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 116.325 -0.398 . . . . 75.15 110.727 -175.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.2 t -77.88 -27.28 49.65 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-O 119.384 -0.341 . . . . 61.02 111.405 -177.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.417 HG23 ' HB2' ' A' ' 10' ' ' ARG . 1.5 p -75.76 -34.36 28.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 CA-C-N 118.956 0.798 . . . . 75.13 110.616 175.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 35.3 ttm -79.12 -21.63 46.3 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 121.181 0.515 . . . . 75.24 109.764 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 . . . . . 0 N--CA 1.482 1.129 0 C-N-CA 124.916 1.286 . . . . 73.52 110.667 167.877 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.0 t . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.374 0.13 . . . . 73.34 110.744 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 64.9 mmt-85 -68.85 -23.53 64.25 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.918 0.887 . . . . 75.5 112.205 -167.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.4 m -67.11 -53.96 25.86 Favored 'General case' 0 C--O 1.248 0.989 0 C-N-CA 123.275 0.63 . . . . 70.55 109.962 176.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 22.7 mt -60.76 -44.9 98.37 Favored 'Isoleucine or valine' 0 C--N 1.356 0.885 0 CA-C-N 114.937 -1.029 . . . . 74.24 109.179 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -62.46 -41.23 98.62 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 124.289 0.993 . . . . 71.4 111.277 -177.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -64.4 -52.7 56.88 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 123.414 0.446 . . . . 51.4 110.186 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 72.9 mtm -60.41 -51.33 69.94 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 124.03 0.831 . . . . 54.44 111.25 -177.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 37.5 t -62.85 -48.98 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 124.182 0.993 . . . . 62.01 111.372 -177.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.94 -29.33 70.71 Favored 'General case' 0 N--CA 1.482 1.147 0 O-C-N 123.536 0.523 . . . . 62.45 111.009 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.25 -46.81 89.83 Favored Glycine 0 C--N 1.348 1.229 0 O-C-N 123.969 0.793 . . . . 73.31 111.732 173.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -69.83 -30.29 67.75 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.598 0.759 . . . . 71.02 110.758 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.483 HG23 ' HE1' ' A' 1019 ' ' MET . 16.1 mt -64.76 -56.02 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 124.956 1.302 . . . . 63.3 109.838 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -69.84 -31.33 69.14 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 123.411 0.445 . . . . 74.22 110.824 -178.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -59.34 -59.3 5.68 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 123.951 0.782 . . . . 74.53 109.43 174.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.495 ' OG1' HG22 ' A' ' 14' ' ' ILE . 14.0 t -66.37 -43.97 84.45 Favored 'General case' 0 C--O 1.213 -0.839 0 CA-C-O 118.687 -0.673 . . . . 64.53 111.346 -173.63 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.462 HD21 ' SD ' ' A' 1019 ' ' MET . 90.1 mt -63.52 -34.14 77.13 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.124 0.57 . . . . 73.04 111.593 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -66.57 -55.8 13.73 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.06 0.225 . . . . 71.52 110.657 175.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.507 ' HA ' HD22 ' A' ' 22' ' ' LEU . 67.1 m-80 -61.74 -33.95 74.96 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 123.438 0.461 . . . . 64.21 111.112 -177.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.45 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 39.3 tt0 -78.36 -32.87 49.2 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.436 1.094 . . . . 71.31 111.442 -177.412 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -66.95 -43.39 83.29 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 109.322 -0.622 . . . . 70.54 109.322 174.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 34.0 mt -65.91 -38.6 89.11 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-N 115.936 -0.575 . . . . 73.53 110.847 174.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.45 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 16.4 mt -59.24 -44.62 92.35 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.626 0.77 . . . . 42.24 110.3 172.507 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.47 ' HA ' HD22 ' A' 1009 ' ' LEU . 38.7 ttmt -66.07 -44.89 83.18 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 123.768 0.668 . . . . 74.12 110.201 -173.429 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.76 -45.54 74.55 Favored Glycine 0 C--N 1.352 1.423 0 O-C-N 123.946 0.779 . . . . 52.13 112.935 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.602 HD22 ' HB1' ' A' ' 25' ' ' ALA . 10.1 tt -64.7 -48.14 75.76 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.525 0.73 . . . . 72.52 110.527 -178.518 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.2 mt -74.57 -23.17 58.72 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.894 0.877 . . . . 75.22 111.504 -178.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 16.6 tm0? -67.51 -50.76 57.37 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 108.074 -1.084 . . . . 64.44 108.074 172.758 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -65.86 -31.41 72.34 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 124.147 0.905 . . . . 61.12 110.902 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -64.37 -54.77 27.64 Favored 'General case' 0 C--N 1.352 0.683 0 N-CA-C 109.316 -0.624 . . . . 74.52 109.316 176.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.509 HD11 ' HB3' ' A' 1005 ' ' LEU . 90.7 mt -64.47 -33.02 74.92 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 123.674 0.609 . . . . 54.51 111.474 179.22 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -63.53 -47.23 82.49 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.737 0.815 . . . . 65.13 110.125 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -64.04 -56.9 11.66 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 115.153 -0.93 . . . . 71.44 109.844 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 96.3 mt -50.99 -40.81 58.85 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 124.393 1.077 . . . . 64.12 111.844 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.3 m . . . . . 0 N--CA 1.47 0.568 0 O-C-N 124.028 0.83 . . . . 72.34 109.99 175.859 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 46.4 ttp . . . . . 0 CA--C 1.544 0.721 0 CA-C-O 120.654 0.264 . . . . 74.53 110.638 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 40.1 p -66.91 -46.02 76.13 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 115.672 -0.694 . . . . 64.12 111.362 -178.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 48.8 m -56.69 -49.76 74.16 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 122.887 0.475 . . . . 61.52 111.356 179.244 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 60.8 mtt-85 -58.55 -54.9 41.84 Favored 'General case' 0 C--N 1.354 0.761 0 O-C-N 124.191 0.932 . . . . 75.32 110.693 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1005 ' ' LEU . . . . . 0.519 ' HA ' ' HB3' ' A' 1008 ' ' TRP . 63.2 mt -70.28 -29.34 66.08 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 124.048 0.842 . . . . 74.44 112.955 -173.075 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 41.3 p -72.51 -47.15 50.77 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 118.66 0.664 . . . . 54.13 109.836 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 48.6 ttt85 -60.0 -34.97 74.05 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.666 0.786 . . . . 74.4 110.501 173.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1008 ' ' TRP . . . . . 0.519 ' HB3' ' HA ' ' A' 1005 ' ' LEU . 1.0 OUTLIER -66.08 -48.58 70.52 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 124.815 1.246 . . . . 64.14 109.843 178.753 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1009 ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' 1005 ' ' LEU . 88.6 mt -68.13 -33.29 74.22 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 109.493 -0.558 . . . . 53.14 109.493 -176.159 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 95.3 m -60.77 -51.23 70.24 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.16 -1.382 . . . . 63.24 110.075 173.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -68.03 -29.31 68.27 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.612 0.765 . . . . 74.11 110.906 -178.5 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1012 ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' 1008 ' ' TRP . 20.0 mt -66.53 -43.92 83.86 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 109.305 -0.628 . . . . 71.32 109.305 175.469 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 19.6 t70 -72.59 -40.9 66.2 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 114.974 -1.012 . . . . 71.42 111.462 -175.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 52.7 m-80 -72.24 -33.63 67.67 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.998 0.519 . . . . 40.23 110.556 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1015 ' ' PHE . . . . . 0.433 ' CD2' HG23 ' A' ' 44' ' ' ILE . 26.7 t80 -60.25 -60.46 3.78 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 109.004 -0.739 . . . . 73.3 109.004 170.359 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1016 ' ' GLU . . . . . 0.42 ' HG3' HD22 ' A' ' 72' ' ' LEU . 54.6 tt0 -50.28 -43.59 53.44 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 124.811 1.319 . . . . 75.44 112.088 -178.547 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1017 ' ' ALA . . . . . 0.434 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -62.94 -61.68 2.23 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.764 0.665 . . . . 63.13 110.711 179.331 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -62.27 -36.27 81.54 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.891 0.876 . . . . 74.31 112.536 -175.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1019 ' ' MET . . . . . 0.483 ' HE1' HG23 ' A' ' 68' ' ' ILE . 0.5 OUTLIER -79.8 -27.32 40.35 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 110.183 -0.303 . . . . 75.22 110.183 -176.075 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -72.77 -26.86 61.69 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 122.346 0.258 . . . . 70.43 110.614 167.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1021 ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' 1017 ' ' ALA . 95.2 mt -76.19 -19.9 58.0 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.34 0.656 . . . . 70.24 111.713 175.722 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1022 ' ' LEU . . . . . 0.472 ' HG ' ' HA ' ' A' 1019 ' ' MET . 94.4 mt . . . . . 0 N--CA 1.494 1.733 0 CA-C-O 119.317 -0.373 . . . . 73.44 110.526 169.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.2 p . . . . . 0 CA--C 1.548 0.879 0 CA-C-O 120.692 0.282 . . . . 71.44 111.39 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 m -64.59 -25.88 68.16 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.816 0.846 . . . . 71.44 110.971 179.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 87.3 m -63.96 -55.85 19.48 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.317 1.047 . . . . 51.3 110.488 175.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 71.9 t -59.36 -42.37 87.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 CA-C-N 115.883 -0.599 . . . . 73.42 110.242 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.574 ' HB3' HH11 ' A' ' 10' ' ' ARG . 44.8 mt-10 -56.51 -53.23 59.99 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.749 0.419 . . . . 72.01 111.214 176.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -62.56 -52.9 61.61 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.077 0.951 . . . . 74.14 110.967 -173.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.521 HD11 HG12 ' A' ' 60' ' ' ILE . 53.2 mt -69.73 -38.65 76.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 123.541 0.736 . . . . 72.42 111.356 -174.149 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -75.36 -26.57 58.64 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 122.787 0.435 . . . . 65.14 111.544 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.574 HH11 ' HB3' ' A' ' 6' ' ' GLU . 43.1 mtt85 -72.29 -47.11 52.51 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 119.191 -0.433 . . . . 65.42 109.937 172.382 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -60.08 -37.78 80.92 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 122.554 0.342 . . . . 71.1 111.115 174.095 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.442 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 18.6 tp60 -56.19 -53.95 51.06 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.161 0.984 . . . . 53.31 109.405 174.476 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -59.21 -42.37 90.8 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 124.145 0.903 . . . . 65.21 111.274 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 10' ' ' ARG . 73.1 mt -66.11 -42.15 90.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 123.502 0.721 . . . . 74.43 110.456 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.17 -43.95 93.55 Favored 'General case' 0 C--O 1.245 0.853 0 C-N-CA 123.217 0.607 . . . . 71.25 111.023 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 91.5 mt -66.74 -47.19 73.03 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.145 -0.934 . . . . 62.41 110.578 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.7 mt -60.18 -50.91 71.81 Favored 'General case' 0 C--O 1.212 -0.912 0 C-N-CA 123.34 0.656 . . . . 62.33 110.056 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.5 t -60.33 -39.28 86.51 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.439 0.696 . . . . 63.02 111.187 -177.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.42 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 61.2 tt0 -64.33 -47.79 78.04 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.582 0.753 . . . . 73.23 110.824 177.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.471 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 68.0 m -60.49 -54.31 47.03 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 115.475 -0.784 . . . . 61.32 110.094 179.219 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.555 HD13 ' HH2' ' A' 1008 ' ' TRP . 83.9 mt -56.04 -34.35 65.81 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.247 1.419 . . . . 72.01 111.401 178.142 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.626 HD22 ' HA ' ' A' ' 74' ' ' ASN . 52.2 tp -63.89 -53.72 46.11 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 123.812 0.695 . . . . 64.35 110.211 177.498 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 19' ' ' GLN . 16.9 mm-40 -56.05 -43.22 77.69 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 124.15 0.906 . . . . 72.01 110.63 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.504 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 76.7 mt -60.93 -48.04 83.65 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-N 114.136 -1.393 . . . . 72.32 110.667 177.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.503 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -63.17 -38.34 90.8 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.504 0.722 . . . . 74.34 111.38 -178.484 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -66.54 -31.39 72.07 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.53 0.732 . . . . 73.45 110.419 177.124 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 65.8 mtp85 -95.43 -6.33 41.08 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 112.738 0.644 . . . . 75.12 112.738 177.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.36 27.97 41.85 Favored Glycine 0 CA--C 1.537 1.46 0 N-CA-C 115.218 0.847 . . . . 42.33 115.218 175.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.504 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 25.4 mm-40 -89.74 64.86 6.64 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.077 0.951 . . . . 74.32 110.461 178.056 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.412 ' HH2' HD21 ' A' ' 81' ' ' LEU . 32.1 m95 -63.35 -27.97 69.68 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.985 0.914 . . . . 72.12 112.105 -173.129 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.22 -45.92 91.55 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.295 1.038 . . . . 71.13 110.93 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.485 HD12 HD22 ' A' ' 24' ' ' LEU . 80.8 mt -72.81 -24.66 60.94 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 115.56 -0.746 . . . . 63.23 111.036 -179.65 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.547 ' HA ' HD22 ' A' ' 21' ' ' LEU . 11.2 mp -66.05 -46.25 78.5 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 110.11 -0.33 . . . . 72.12 110.11 170.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.5 mt -70.54 -29.98 66.59 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.371 0.668 . . . . 73.23 111.095 -178.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -69.62 -52.19 28.2 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.958 0.903 . . . . 74.13 110.573 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.545 ' HB2' HD21 ' A' ' 21' ' ' LEU . 86.7 mt-30 -87.44 -9.2 55.29 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 114.456 -1.247 . . . . 72.4 111.853 -174.244 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.419 ' HG3' ' HE3' ' A' 1008 ' ' TRP . 32.2 tt0 -46.15 -58.6 3.5 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.626 1.17 . . . . 64.4 112.132 174.293 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.5 p -54.55 -41.97 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 O-C-N 124.188 0.93 . . . . 72.13 110.928 -178.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.3 m -67.21 -47.91 69.43 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.594 0.758 . . . . 73.3 111.251 -177.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -63.3 -47.24 83.12 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.105 0.962 . . . . 74.53 111.751 -178.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -66.72 -38.56 86.95 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.226 0.61 . . . . 75.32 110.68 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.577 ' HA ' ' HG2' ' A' ' 45' ' ' GLU . 98.5 mt-30 -72.29 -28.3 63.01 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 116.171 -0.468 . . . . 60.11 111.298 177.049 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.9 m -67.87 -42.19 81.68 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-O 121.099 0.475 . . . . 71.12 109.999 173.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.491 HG23 ' CD2' ' A' 1015 ' ' PHE . 35.6 mt -57.04 -55.96 17.45 Favored 'Isoleucine or valine' 0 C--O 1.244 0.8 0 C-N-CA 124.721 1.209 . . . . 74.52 110.863 176.291 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.577 ' HG2' ' HA ' ' A' ' 42' ' ' GLN . 12.7 pt-20 -69.03 -33.77 74.15 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.682 -0.69 . . . . 74.34 111.118 -174.667 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.7 t -74.83 -30.53 61.4 Favored 'General case' 0 C--N 1.361 1.076 0 CA-C-O 118.958 -0.544 . . . . 74.4 111.482 -178.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.9 p -76.05 -38.03 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 CA-C-N 118.831 0.742 . . . . 63.53 110.38 175.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 51.8 ttm -73.08 -20.2 61.01 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.789 -0.641 . . . . 65.33 109.753 177.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 . . . . . 0 C--N 1.352 0.678 0 CA-C-N 115.668 -0.696 . . . . 71.01 110.025 171.306 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.8 t . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 111.507 0.188 . . . . 61.54 111.507 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -56.33 -39.73 73.3 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.198 0.999 . . . . 74.54 112.536 -173.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.9 p -56.1 -57.71 11.03 Favored 'General case' 0 C--O 1.25 1.118 0 O-C-N 123.589 0.556 . . . . 72.11 111.093 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.521 HG12 HD11 ' A' ' 8' ' ' ILE . 68.9 mt -60.65 -45.19 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-N 115.565 -0.743 . . . . 72.0 110.04 178.738 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -58.92 -43.44 91.11 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 123.667 0.605 . . . . 71.13 111.507 -175.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -74.32 -43.51 56.41 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 122.701 0.401 . . . . 50.32 111.727 -178.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 71.5 mtm -64.21 -54.52 32.26 Favored 'General case' 0 N--CA 1.483 1.214 0 O-C-N 123.228 0.33 . . . . 64.2 110.147 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 37.8 t -57.89 -43.76 85.14 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.572 0 C-N-CA 123.972 0.909 . . . . 71.35 111.165 177.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.12 -33.64 74.86 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-N 117.944 0.338 . . . . 73.3 111.375 177.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.27 -48.47 82.39 Favored Glycine 0 C--N 1.348 1.24 0 O-C-N 123.95 0.781 . . . . 52.14 111.461 175.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -68.93 -30.68 69.18 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.31 0.644 . . . . 71.1 111.442 178.197 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.473 HG23 ' HE1' ' A' 1019 ' ' MET . 13.5 mt -66.88 -57.59 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.616 1.167 . . . . 74.05 110.263 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -66.39 -33.86 76.66 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 122.496 0.319 . . . . 63.3 111.029 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -60.45 -54.69 42.58 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 123.759 0.662 . . . . 74.14 110.127 175.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.486 ' OG1' HG22 ' A' ' 14' ' ' ILE . 11.3 t -69.57 -35.79 75.69 Favored 'General case' 0 C--O 1.211 -0.947 0 CA-C-O 118.859 -0.591 . . . . 74.2 111.575 -175.051 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.479 HD21 ' SD ' ' A' 1019 ' ' MET . 69.4 mt -69.57 -36.14 76.01 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.03 0.532 . . . . 74.25 111.465 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -72.8 -47.56 45.56 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.014 0.526 . . . . 73.13 110.585 177.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.626 ' HA ' HD22 ' A' ' 22' ' ' LEU . 93.1 m-20 -59.38 -41.68 89.93 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.343 -0.844 . . . . 73.42 110.312 176.63 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 41.0 tt0 -71.26 -35.49 71.4 Favored 'General case' 0 C--O 1.214 -0.804 0 CA-C-N 115.366 -0.834 . . . . 63.13 110.619 179.294 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -58.66 -50.48 73.7 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.271 0.628 . . . . 74.45 110.07 177.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.25 -36.19 81.11 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 114.71 -1.132 . . . . 73.14 110.637 177.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.476 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 8.1 mt -56.52 -63.84 1.06 Allowed 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.511 0.724 . . . . 64.24 110.771 175.425 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.6 ' HB3' HD12 ' A' 1012 ' ' LEU . 34.3 pttt -73.26 -22.08 60.47 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 118.91 -0.567 . . . . 63.13 112.4 -172.326 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -69.29 -50.48 32.71 Favored Glycine 0 C--N 1.346 1.139 0 N-CA-C 111.655 -0.578 . . . . 61.34 111.655 172.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.503 HD22 ' HB1' ' A' ' 25' ' ' ALA . 8.3 tt -66.14 -38.9 89.26 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.054 0.941 . . . . 60.41 110.991 178.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.413 HD13 ' HE1' ' A' 1008 ' ' TRP . 28.4 mt -73.86 -29.43 62.1 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.117 0.967 . . . . 65.23 111.016 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 20.7 tm0? -65.89 -48.51 71.25 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 108.409 -0.96 . . . . 75.35 108.409 172.286 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -66.66 -29.59 69.65 Favored 'General case' 0 N--CA 1.485 1.31 0 O-C-N 123.728 0.643 . . . . 73.24 111.275 178.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.45 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 19.5 tpt180 -67.6 -55.85 11.76 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 109.255 -0.646 . . . . 75.12 109.255 177.26 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.456 HD11 ' HB3' ' A' 1005 ' ' LEU . 96.1 mt -64.91 -26.78 68.46 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.132 0.573 . . . . 63.44 111.463 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -62.26 -52.83 62.14 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.594 1.158 . . . . 64.34 109.611 173.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -58.89 -54.31 48.58 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 114.691 -1.14 . . . . 74.33 110.399 176.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.456 HD12 HD23 ' A' ' 86' ' ' LEU . 98.1 mt -56.55 -44.31 80.78 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.588 1.155 . . . . 61.23 111.92 -176.617 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 88.7 p . . . . . 0 N--CA 1.474 0.744 0 C-N-CA 122.479 0.312 . . . . 43.53 110.312 -179.921 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 47.9 ttp . . . . . 0 N--CA 1.478 0.939 0 N-CA-C 111.878 0.325 . . . . 74.51 111.878 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 41.3 p -66.26 -51.5 56.84 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 122.768 0.427 . . . . 75.52 110.855 -176.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 98.9 m -53.25 -51.05 63.47 Favored 'General case' 0 C--O 1.251 1.159 0 C-N-CA 123.597 0.759 . . . . 73.33 111.484 178.006 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 79.0 mtt-85 -58.73 -59.1 5.94 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.325 -0.852 . . . . 64.45 111.276 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1005 ' ' LEU . . . . . 0.563 ' O ' ' HG ' ' A' 1009 ' ' LEU . 56.2 mt -63.25 -33.39 75.4 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 112.529 0.566 . . . . 62.45 112.529 -174.387 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 38.4 p -68.49 -50.11 54.74 Favored 'General case' 0 N--CA 1.483 1.22 0 CA-C-N 118.35 0.523 . . . . 74.23 111.029 177.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -66.62 -25.59 66.67 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.034 0.445 . . . . 64.45 110.763 177.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1008 ' ' TRP . . . . . 0.555 ' HH2' HD13 ' A' ' 21' ' ' LEU . 1.3 t-105 -67.53 -46.58 72.37 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.928 1.291 . . . . 72.02 110.067 174.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1009 ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' 1005 ' ' LEU . 82.3 mt -67.79 -35.57 78.88 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.953 -0.758 . . . . 61.3 108.953 -177.23 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 93.3 m -59.28 -48.06 83.05 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 114.307 -1.315 . . . . 60.23 110.864 172.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -69.34 -28.31 66.12 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.513 0.725 . . . . 63.12 111.985 -179.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1012 ' ' LEU . . . . . 0.6 HD12 ' HB3' ' A' ' 79' ' ' LYS . 22.5 mt -73.96 -42.95 59.75 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.07 0.548 . . . . 55.25 110.118 178.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 33.2 t70 -67.32 -39.48 85.86 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 115.503 -0.771 . . . . 75.21 110.099 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 44.4 t30 -61.68 -50.09 73.88 Favored 'General case' 0 C--O 1.25 1.098 0 C-N-CA 123.967 0.907 . . . . 72.24 110.221 177.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1015 ' ' PHE . . . . . 0.491 ' CD2' HG23 ' A' ' 44' ' ' ILE . 25.7 t80 -54.52 -63.22 1.22 Allowed 'General case' 0 C--N 1.356 0.89 0 O-C-N 124.49 1.119 . . . . 74.1 110.017 176.65 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1016 ' ' GLU . . . . . 0.456 ' HG3' HD22 ' A' ' 72' ' ' LEU . 39.0 tt0 -49.76 -49.38 48.48 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 124.833 1.333 . . . . 73.14 112.248 -175.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -59.42 -60.58 3.62 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 124.061 0.851 . . . . 74.11 111.123 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -69.98 -29.7 66.86 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 112.134 0.42 . . . . 74.25 112.134 -172.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1019 ' ' MET . . . . . 0.561 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.2 OUTLIER -78.45 -28.17 46.57 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 110.168 -0.308 . . . . 63.42 110.168 -178.929 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -74.81 -27.29 60.24 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 110.03 -0.359 . . . . 55.23 110.03 169.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 96.8 mt -81.37 -13.55 58.2 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.493 0.717 . . . . 53.44 111.962 176.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1022 ' ' LEU . . . . . 0.561 ' HG ' ' HA ' ' A' 1019 ' ' MET . 74.9 mt . . . . . 0 N--CA 1.495 1.823 0 C-N-CA 123.238 0.615 . . . . 75.35 110.229 167.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.6 m . . . . . 0 N--CA 1.484 1.234 0 N-CA-C 112.8 0.667 . . . . 73.43 112.8 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.3 m -59.29 -46.4 88.67 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.779 0.432 . . . . 55.2 110.673 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 96.0 m -63.05 -52.35 63.17 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.391 1.076 . . . . 74.0 112.333 -178.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.1 t -64.4 -46.7 92.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 123.611 0.765 . . . . 62.24 110.088 -174.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -55.96 -56.0 26.01 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 123.435 0.459 . . . . 74.15 111.07 174.199 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.422 ' CD1' HG21 ' A' ' 64' ' ' VAL . 8.1 t80 -58.21 -58.84 6.69 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 123.889 0.876 . . . . 74.5 111.775 -172.261 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.552 HD11 HG12 ' A' ' 60' ' ' ILE . 69.3 mt -62.52 -52.79 55.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 123.91 0.884 . . . . 73.1 111.237 -177.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -68.43 -30.03 68.83 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 112.422 0.526 . . . . 63.24 112.422 -171.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.459 ' HD2' HG23 ' A' ' 46' ' ' THR . 84.1 mtm180 -76.31 -47.04 25.0 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-O 119.053 -0.499 . . . . 65.55 110.387 176.598 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 51.4 m95 -60.67 -37.8 82.77 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-N 118.152 0.433 . . . . 75.45 111.336 176.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -62.21 -47.68 83.35 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.46 1.104 . . . . 64.25 109.834 174.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -60.01 -41.74 92.78 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 124.059 0.849 . . . . 75.11 111.118 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 10' ' ' ARG . 96.3 mt -67.79 -40.17 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.421 1.088 . . . . 71.45 110.35 -179.329 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.16 -47.0 81.59 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.193 0.597 . . . . 71.22 111.187 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.3 mt -69.05 -36.91 78.2 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 114.978 -1.01 . . . . 52.02 111.089 -178.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.9 mt -65.23 -58.42 6.01 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.343 0.657 . . . . 63.22 109.648 177.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.0 p -55.46 -37.82 68.26 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.423 0.689 . . . . 63.42 111.573 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -60.76 -54.43 45.3 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.821 0.849 . . . . 71.54 110.941 175.004 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.3 m -57.18 -54.84 42.26 Favored 'General case' 0 N--CA 1.481 1.122 0 O-C-N 123.701 0.626 . . . . 73.31 110.658 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.653 HD13 ' HH2' ' A' 1008 ' ' TRP . 35.9 mt -52.6 -37.46 58.18 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.813 1.645 . . . . 74.01 112.213 177.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.476 HD22 ' HA ' ' A' ' 74' ' ' ASN . 28.7 tp -65.72 -52.14 53.61 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.238 0.615 . . . . 73.55 110.979 177.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -59.85 -39.99 87.03 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 121.846 0.831 . . . . 71.1 110.592 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.53 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 95.5 mt -66.71 -41.14 88.44 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 114.116 -1.402 . . . . 74.42 110.871 177.383 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.492 ' HB2' HD21 ' A' ' 33' ' ' LEU . . . -64.85 -34.34 78.15 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.115 0.566 . . . . 53.42 111.143 178.33 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -66.76 -37.4 84.52 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.692 0.797 . . . . 62.43 110.744 174.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.1 mmp_? -79.25 -17.25 55.1 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 112.642 0.608 . . . . 75.24 112.642 174.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.0 17.06 61.93 Favored Glycine 0 C--N 1.343 0.951 0 O-C-N 123.313 0.383 . . . . 51.23 113.302 -177.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.53 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 28.2 mm-40 -72.6 70.62 0.93 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.686 0.794 . . . . 64.42 111.1 174.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.505 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 24.7 m95 -67.48 -37.26 82.63 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.745 -0.661 . . . . 74.52 111.205 -173.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -59.37 -39.44 83.3 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.515 0.726 . . . . 74.21 111.728 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.427 HD12 HD22 ' A' ' 24' ' ' LEU . 75.2 mt -69.52 -32.48 71.35 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.049 -0.523 . . . . 74.2 111.224 178.605 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.492 HD21 ' HB2' ' A' ' 25' ' ' ALA . 11.2 mp -65.37 -43.36 91.01 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 122.395 0.278 . . . . 70.44 110.624 171.359 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 30' ' ' TRP . 53.5 mt -74.34 -22.47 59.22 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.668 0.787 . . . . 74.35 111.433 -176.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -79.7 -57.17 3.8 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.658 0.783 . . . . 75.31 109.797 176.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.48 ' HB2' HD21 ' A' ' 21' ' ' LEU . 81.5 mt-30 -73.54 -8.82 57.48 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.94 1.296 . . . . 61.52 111.667 -179.431 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.427 ' HA ' ' CZ3' ' A' 1008 ' ' TRP . 46.2 tt0 -44.49 -56.49 4.26 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.672 1.189 . . . . 73.31 112.408 173.112 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.5 p -59.53 -43.09 90.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-N 115.35 -0.841 . . . . 64.32 110.772 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.3 m -61.66 -45.46 93.94 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.307 0.643 . . . . 43.4 111.75 -177.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -71.13 -49.92 39.01 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.089 -0.96 . . . . 73.24 110.85 -174.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.5 mt -69.2 -29.64 67.66 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 115.968 -0.56 . . . . 71.14 111.825 -177.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -73.58 -39.27 64.78 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.498 0.719 . . . . 61.54 110.179 176.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.1 m -64.86 -40.2 94.77 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 122.655 0.382 . . . . 71.41 110.956 175.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.7 mt -57.59 -50.27 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 124.658 1.183 . . . . 72.32 110.444 173.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -56.19 -56.38 21.68 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 114.72 -1.127 . . . . 72.14 110.844 -179.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.459 HG23 ' HD2' ' A' ' 10' ' ' ARG . 8.0 t -64.42 -38.55 91.41 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 115.932 -0.576 . . . . 55.3 112.067 -175.417 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.5 p -73.42 -36.45 48.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 CA-C-O 120.709 0.29 . . . . 65.23 111.229 -175.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 54.2 ttm -78.61 -25.73 45.22 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 116.295 -0.412 . . . . 71.04 110.376 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 . . . . . 0 CA--C 1.553 1.09 0 N-CA-C 109.432 -0.581 . . . . 71.42 109.432 177.039 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.455 HG22 HD12 ' A' ' 60' ' ' ILE . 4.9 t . . . . . 0 N--CA 1.479 1.002 0 CA-C-O 120.537 0.208 . . . . 62.4 111.303 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -66.15 -45.28 81.54 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.349 1.06 . . . . 74.21 112.732 -164.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.6 m -61.19 -47.72 84.84 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-O 121.128 0.49 . . . . 72.23 111.326 -177.075 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.552 HG12 HD11 ' A' ' 8' ' ' ILE . 71.4 mt -61.82 -53.37 48.97 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 CA-C-N 114.961 -1.018 . . . . 64.55 109.871 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -59.56 -35.71 74.77 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 124.11 0.882 . . . . 74.33 111.628 -177.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -68.16 -55.54 11.99 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.465 0.706 . . . . 72.43 110.475 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 75.8 mtm -59.54 -44.95 93.07 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 123.708 0.63 . . . . 61.43 110.945 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.422 HG21 ' CD1' ' A' ' 7' ' ' PHE . 8.9 t -62.82 -44.76 99.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 124.141 0.977 . . . . 73.24 111.627 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.402 ' HA ' ' HB ' ' A' ' 68' ' ' ILE . . . -65.9 -29.17 69.55 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 120.791 0.329 . . . . 71.11 111.173 178.604 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.5 -45.34 93.41 Favored Glycine 0 C--N 1.351 1.383 0 CA-C-N 115.423 -0.808 . . . . 74.34 111.257 170.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -68.88 -27.73 66.06 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.771 0.828 . . . . 73.43 111.786 177.36 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.54 HG23 ' HE1' ' A' 1019 ' ' MET . 17.8 mt -67.2 -57.72 8.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 124.929 1.291 . . . . 70.43 109.853 178.405 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -67.08 -30.92 71.09 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-O 120.768 0.318 . . . . 61.34 110.588 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -60.06 -57.2 13.88 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-N 115.251 -0.886 . . . . 71.42 110.129 176.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.416 ' OG1' HG22 ' A' ' 14' ' ' ILE . 9.3 t -69.05 -35.74 76.9 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-N 115.407 -0.815 . . . . 63.44 111.525 -174.705 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.477 HD22 ' HG3' ' A' 1016 ' ' GLU . 65.3 mt -65.94 -38.54 88.89 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 123.601 0.563 . . . . 74.53 111.828 179.149 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -74.65 -42.46 58.48 Favored 'General case' 0 N--CA 1.485 1.325 0 O-C-N 123.122 0.264 . . . . 72.14 111.182 178.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.476 ' HA ' HD22 ' A' ' 22' ' ' LEU . 91.6 m-20 -60.22 -42.27 94.81 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.487 0.715 . . . . 72.32 110.576 175.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.565 ' HG2' ' HE2' ' A' ' 79' ' ' LYS . 35.4 tt0 -75.58 -30.57 59.67 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 114.839 -1.073 . . . . 72.43 110.554 -178.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -62.03 -47.2 85.8 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-O 121.521 0.677 . . . . 71.23 109.55 174.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 73.8 mt -67.66 -34.38 76.81 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 114.32 -1.309 . . . . 62.22 111.152 178.135 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.425 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 15.0 mt -60.62 -57.7 11.61 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.469 0.707 . . . . 72.12 110.309 171.602 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.565 ' HE2' ' HG2' ' A' ' 75' ' ' GLU . 47.3 mtmt -59.85 -38.64 82.68 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.98 0.912 . . . . 72.42 112.195 -176.68 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -69.47 -46.76 54.39 Favored Glycine 0 C--N 1.345 1.048 0 O-C-N 123.612 0.57 . . . . 70.3 112.77 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.403 ' O ' ' HD3' ' A' ' 85' ' ' ARG . 9.2 tt -59.42 -58.94 6.43 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.971 0.908 . . . . 74.11 109.36 178.417 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.421 ' HB2' HD21 ' A' 1009 ' ' LEU . 32.2 mt -62.99 -30.79 71.87 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.68 1.192 . . . . 72.44 112.001 -177.326 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -62.05 -51.33 68.39 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 109.604 -0.517 . . . . 73.11 109.604 173.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -64.25 -43.09 95.97 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 124.11 0.881 . . . . 72.23 111.175 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.403 ' HD3' ' O ' ' A' ' 81' ' ' LEU . 2.7 mpt_? -70.63 -43.9 68.3 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.134 0.574 . . . . 73.54 110.847 -173.791 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.527 HD11 ' HB3' ' A' 1005 ' ' LEU . 86.9 mt -67.23 -32.12 72.93 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 122.528 0.331 . . . . 72.34 110.839 175.66 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -59.92 -51.58 69.09 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.588 0.755 . . . . 72.33 110.13 174.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -61.91 -53.05 61.13 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.526 1.13 . . . . 73.34 110.352 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.674 HD13 ' SD ' ' A' 1001 ' ' MET . 95.3 mt -57.21 -42.97 82.33 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.644 1.177 . . . . 61.44 111.968 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.2 m . . . . . 0 N--CA 1.487 1.384 0 C-N-CA 122.371 0.268 . . . . 72.1 111.356 177.971 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1001 ' ' MET . . . . . 0.674 ' SD ' HD13 ' A' ' 89' ' ' LEU . 31.6 ttm . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 121.097 0.475 . . . . 63.12 111.126 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 75.1 p -70.19 -54.18 13.94 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.284 -0.871 . . . . 71.21 111.137 -172.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 15.1 t -57.38 -46.13 83.73 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 118.021 0.373 . . . . 75.21 111.167 -174.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 81.5 mtt-85 -62.01 -57.79 10.32 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 116.182 -0.463 . . . . 74.54 110.501 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1005 ' ' LEU . . . . . 0.549 ' O ' ' HG ' ' A' 1009 ' ' LEU . 61.7 mt -65.67 -24.34 66.99 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 124.107 0.879 . . . . 75.41 112.941 -173.311 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 65.7 p -79.41 -44.21 21.87 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-N 118.856 0.753 . . . . 60.12 111.011 176.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 61.2 mtp85 -62.45 -34.32 76.57 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 121.728 0.775 . . . . 64.12 110.07 173.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1008 ' ' TRP . . . . . 0.653 ' HH2' HD13 ' A' ' 21' ' ' LEU . 17.4 t-105 -62.58 -55.27 28.73 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.821 1.649 . . . . 73.54 110.056 174.428 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1009 ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' 1005 ' ' LEU . 51.8 mt -60.69 -38.38 84.8 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.074 0.55 . . . . 75.2 112.008 -176.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 12.2 t -74.5 -32.32 62.49 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-O 119.397 -0.335 . . . . 64.13 110.859 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -70.49 -33.09 70.84 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.522 0.329 . . . . 74.32 111.324 175.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1012 ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' 1008 ' ' TRP . 20.9 mt -70.99 -47.33 59.45 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.811 0.844 . . . . 44.44 110.145 178.303 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 13.0 t70 -62.16 -41.55 98.41 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 114.953 -1.021 . . . . 74.12 109.757 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 8.7 t30 -62.83 -44.26 96.6 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.993 0.917 . . . . 73.0 111.085 176.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 27.9 t80 -57.76 -56.07 26.73 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 123.583 0.552 . . . . 72.42 109.999 176.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1016 ' ' GLU . . . . . 0.477 ' HG3' HD22 ' A' ' 72' ' ' LEU . 38.3 tt0 -51.71 -45.51 63.57 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 124.445 1.091 . . . . 74.52 111.757 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1017 ' ' ALA . . . . . 0.435 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -63.5 -60.06 3.84 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 123.884 0.74 . . . . 64.32 111.817 -178.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -61.39 -35.15 76.7 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.494 0.718 . . . . 73.32 111.762 -175.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1019 ' ' MET . . . . . 0.643 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.0 OUTLIER -81.3 -25.35 36.55 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.988 -0.551 . . . . 70.52 110.883 -176.183 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -75.77 -24.18 56.0 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.489 0.316 . . . . 64.43 110.616 167.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1021 ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' 1017 ' ' ALA . 77.4 mt -80.01 -20.93 44.26 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-O 118.432 -0.794 . . . . 74.11 111.782 176.306 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1022 ' ' LEU . . . . . 0.643 ' HG ' ' HA ' ' A' 1019 ' ' MET . 85.9 mt . . . . . 0 N--CA 1.501 2.077 0 C-N-CA 123.72 0.808 . . . . 61.41 111.847 173.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.515 ' O ' ' HB2' ' A' ' 6' ' ' GLU . 13.1 t . . . . . 0 CA--C 1.546 0.789 0 N-CA-C 112.386 0.513 . . . . 74.54 112.386 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.5 m -76.06 -29.52 58.04 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 122.79 0.436 . . . . 54.24 111.485 -178.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 87.5 m -63.95 -58.6 6.24 Favored 'General case' 0 C--O 1.246 0.914 0 C-N-CA 123.49 0.716 . . . . 61.33 110.172 175.04 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.5 p -65.27 -30.73 51.16 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 CA-C-N 116.016 -0.538 . . . . 61.22 110.644 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.515 ' HB2' ' O ' ' A' ' 2' ' ' THR . 9.0 tp10 -59.43 -55.54 33.41 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.72 0.808 . . . . 74.34 110.432 175.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -60.63 -54.93 39.42 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 114.406 -1.27 . . . . 51.3 110.266 -175.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 64.0 mt -63.1 -43.34 98.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 115.524 -0.762 . . . . 72.5 111.558 -175.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.467 ' HB3' ' NH1' ' A' ' 13' ' ' ARG . 0.9 OUTLIER -71.59 -33.77 69.31 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 122.271 0.228 . . . . 64.14 111.55 -176.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.449 ' O ' HG13 ' A' ' 14' ' ' ILE . 99.2 mtt180 -63.51 -53.12 56.88 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 109.07 -0.715 . . . . 71.41 109.07 174.334 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -55.03 -35.69 64.72 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 123.697 0.623 . . . . 74.14 112.122 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -59.2 -55.73 31.25 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.669 0.788 . . . . 72.45 110.296 175.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.467 ' NH1' ' HB3' ' A' ' 9' ' ' ASN . 5.2 mpt_? -67.68 -28.44 67.69 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 116.034 -0.53 . . . . 75.53 111.817 -177.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 10' ' ' ARG . 92.0 mt -70.63 -39.11 75.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 123.049 0.54 . . . . 74.32 109.818 177.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.48 -43.13 86.24 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 115.701 -0.681 . . . . 65.03 110.668 176.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.13 -42.58 96.78 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 115.345 -0.843 . . . . 71.53 110.506 176.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 36.6 mt -64.27 -51.75 62.04 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.479 0.712 . . . . 71.12 110.094 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.0 p -59.66 -38.94 82.82 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.168 0.587 . . . . 72.13 111.131 -177.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -63.8 -48.66 75.99 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.737 0.815 . . . . 72.54 111.715 175.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.413 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 70.1 m -66.7 -43.48 84.23 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.155 0.582 . . . . 23.21 110.946 -177.344 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.563 HD23 HD12 ' A' ' 24' ' ' LEU . 96.2 mt -67.76 -31.41 71.29 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.835 1.254 . . . . 64.4 110.141 178.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.419 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 43.4 tp -61.99 -50.14 73.24 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-N 115.717 -0.674 . . . . 64.32 110.232 173.402 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -61.48 -36.94 81.86 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 123.8 0.688 . . . . 75.23 111.339 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.563 HD12 HD23 ' A' ' 21' ' ' LEU . 98.5 mt -61.41 -45.15 95.53 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.877 -0.416 . . . . 54.52 109.877 176.007 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.464 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -67.93 -32.1 72.32 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.027 0.531 . . . . 75.32 112.127 179.506 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 11.2 mm100 -67.22 -36.66 82.15 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.445 0.698 . . . . 54.02 111.056 176.614 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -85.43 -25.3 27.06 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 122.774 0.43 . . . . 74.24 111.419 177.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.63 15.75 42.12 Favored Glycine 0 C--N 1.343 0.925 0 CA-C-N 116.416 -0.357 . . . . 41.55 113.985 -175.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -73.59 78.74 1.48 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 123.72 0.808 . . . . 73.04 110.532 175.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.468 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 12.2 m95 -75.96 -30.03 58.48 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.351 0.66 . . . . 74.14 111.684 -176.284 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -64.63 -49.76 69.79 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.115 0.566 . . . . 74.35 111.496 -176.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 89.3 mt -67.44 -29.84 69.41 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 115.695 -0.684 . . . . 63.41 110.791 175.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.427 HD12 HD22 ' A' ' 21' ' ' LEU . 18.2 tp -64.83 -41.94 95.33 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.154 0.582 . . . . 52.04 110.13 176.445 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.553 HD21 ' HG ' ' A' 1005 ' ' LEU . 86.3 mt -72.02 -35.48 69.42 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.046 0.938 . . . . 70.23 111.208 179.464 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -65.19 -48.8 72.17 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 121.651 0.739 . . . . 73.11 110.749 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.445 ' HB2' HD21 ' A' ' 21' ' ' LEU . 77.0 mt-30 -89.76 -9.08 50.67 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.738 1.215 . . . . 65.41 112.333 -175.679 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -43.92 -58.75 2.6 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.256 1.023 . . . . 74.11 111.259 169.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.3 p -58.03 -36.31 56.03 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.904 0 CA-C-N 115.091 -0.959 . . . . 73.33 111.79 -178.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.7 m -68.14 -42.6 79.89 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.169 0.588 . . . . 43.34 111.339 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -68.09 -46.65 70.4 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.546 0.738 . . . . 63.33 111.099 -179.062 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.7 mt -69.18 -29.55 67.57 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 123.385 0.674 . . . . 70.23 110.814 -178.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -67.59 -45.98 73.95 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.664 0.785 . . . . 72.34 110.852 173.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.3 m -62.62 -41.9 99.27 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.495 0.718 . . . . 74.02 111.244 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 25.1 mt -57.29 -51.77 65.22 Favored 'Isoleucine or valine' 0 C--O 1.25 1.083 0 C-N-CA 124.934 1.294 . . . . 63.41 110.82 173.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -56.73 -54.67 43.55 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.956 -1.02 . . . . 72.41 111.043 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.7 t -67.28 -37.26 83.14 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 115.86 -0.609 . . . . 74.11 111.46 -173.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.7 p -69.61 -36.21 69.71 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 CA-C-N 118.292 0.496 . . . . 61.45 110.695 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 42.3 ttm -73.22 -31.02 63.9 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 116.371 -0.377 . . . . 73.44 110.519 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 . . . . . 0 CA--C 1.55 0.95 0 C-N-CA 123.265 0.626 . . . . 71.11 110.514 173.536 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.0 t . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 111.571 0.211 . . . . 52.41 111.571 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -57.55 -42.75 83.6 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.696 1.198 . . . . 72.35 111.829 -176.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.5 m -55.27 -58.13 8.96 Favored 'General case' 0 C--O 1.25 1.09 0 O-C-N 123.571 0.544 . . . . 74.05 111.252 -178.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 53.8 mt -62.79 -50.13 80.93 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 CA-C-N 114.96 -1.018 . . . . 74.23 109.713 -177.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.9 tm0? -52.66 -47.71 66.94 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 124.329 1.018 . . . . 54.23 110.558 -177.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -69.06 -47.84 64.31 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.169 0.988 . . . . 64.12 111.736 -174.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 77.4 mtm -63.41 -49.16 74.85 Favored 'General case' 0 C--O 1.255 1.376 0 CA-C-O 121.402 0.62 . . . . 74.21 110.583 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.1 t -57.62 -41.56 79.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 CA-C-N 114.694 -1.139 . . . . 54.13 111.008 174.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.446 ' O ' ' HG2' ' A' ' 69' ' ' LYS . . . -64.22 -33.94 76.96 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 123.495 0.497 . . . . 51.13 111.076 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.96 -52.06 54.68 Favored Glycine 0 C--N 1.353 1.517 0 N-CA-C 110.777 -0.929 . . . . 72.23 110.777 173.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -63.26 -29.48 70.8 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 114.925 -0.637 . . . . 74.14 112.564 177.332 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.428 HG23 ' HE1' ' A' 1019 ' ' MET . 19.8 mt -67.45 -44.28 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 124.391 1.076 . . . . 64.25 110.279 177.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 32.3 mmmt -65.49 -40.85 93.56 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.313 -0.403 . . . . 75.45 110.037 177.456 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -60.08 -55.35 35.05 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.034 0.533 . . . . 73.14 110.673 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.4 t -65.21 -43.97 89.82 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-O 118.938 -0.553 . . . . 71.3 111.484 -174.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.0 mt -68.72 -30.33 68.95 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 117.991 0.359 . . . . 73.51 111.827 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -70.88 -50.96 29.42 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-O 121.408 0.623 . . . . 71.23 110.326 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -68.32 -34.07 75.45 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 114.635 -1.166 . . . . 74.33 110.532 -177.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.407 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 40.5 tt0 -75.09 -30.67 60.97 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 123.64 0.776 . . . . 74.34 110.92 176.559 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -65.93 -41.3 91.54 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 121.157 0.503 . . . . 74.52 109.887 174.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 63.3 mt -67.83 -40.25 83.77 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 115.228 -0.897 . . . . 74.31 110.485 175.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.407 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 40.4 mt -61.95 -39.62 92.73 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 123.431 0.692 . . . . 75.45 110.98 171.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -63.88 -52.55 59.46 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.434 1.094 . . . . 74.44 109.638 -175.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.46 -51.05 45.54 Favored Glycine 0 C--N 1.348 1.243 0 CA-C-N 114.99 -1.004 . . . . 70.44 113.051 -179.094 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.464 HD22 ' HB1' ' A' ' 25' ' ' ALA . 9.4 tt -58.06 -51.31 70.22 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.695 0.798 . . . . 74.3 110.332 -177.283 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.496 HD13 ' HE1' ' A' 1008 ' ' TRP . 27.4 mt -77.56 -23.83 49.97 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.418 0.687 . . . . 73.22 112.412 -173.67 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -65.76 -53.88 34.63 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 108.708 -0.849 . . . . 63.4 108.708 170.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -59.08 -38.65 79.98 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 114.921 -1.036 . . . . 73.04 111.113 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -73.9 -51.2 16.9 Favored 'General case' 0 C--O 1.213 -0.826 0 CA-C-N 115.411 -0.813 . . . . 72.32 110.317 -172.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.629 HD11 ' HB3' ' A' 1005 ' ' LEU . 71.1 mt -62.37 -41.26 98.49 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 122.67 0.388 . . . . 63.52 111.637 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -61.0 -50.12 74.66 Favored 'General case' 0 C--O 1.247 0.931 0 O-C-N 123.897 0.748 . . . . 75.13 110.52 178.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -57.84 -56.85 16.67 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 115.136 -0.938 . . . . 73.23 110.741 176.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 86.2 mt -57.12 -40.91 78.03 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.434 1.094 . . . . 71.14 111.989 -177.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 32.8 t . . . . . 0 C--O 1.244 0.809 0 C-N-CA 123.171 0.589 . . . . 72.2 110.414 179.601 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 54.9 ttp . . . . . 0 N--CA 1.481 1.107 0 N-CA-C 112.299 0.481 . . . . 74.31 112.299 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 49.3 p -66.37 -53.87 31.01 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 116.26 -0.427 . . . . 53.12 111.599 -175.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 69.5 m -60.2 -41.6 93.33 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.173 0.589 . . . . 45.42 111.291 -177.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.76 -55.35 27.38 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 115.469 -0.787 . . . . 72.13 111.29 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1005 ' ' LEU . . . . . 0.629 ' HB3' HD11 ' A' ' 86' ' ' LEU . 27.4 mt -72.33 -27.41 62.4 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 112.819 0.674 . . . . 74.53 112.819 -174.157 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 41.6 p -77.09 -39.13 50.74 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 118.658 0.663 . . . . 72.13 110.457 176.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -60.02 -41.06 91.38 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 121.221 0.534 . . . . 71.01 109.676 170.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1008 ' ' TRP . . . . . 0.496 ' HE1' HD13 ' A' ' 82' ' ' LEU . 0.4 OUTLIER -63.5 -45.76 89.21 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 114.486 -1.234 . . . . 75.41 110.315 177.769 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1009 ' ' LEU . . . . . 0.481 HD21 ' HB2' ' A' ' 82' ' ' LEU . 38.5 mt -68.09 -35.15 77.7 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 122.741 0.416 . . . . 74.22 112.075 -177.638 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 6.9 t -78.66 -23.12 45.9 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 109.984 -0.376 . . . . 75.11 109.984 176.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -77.59 -28.73 51.69 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.381 0.672 . . . . 71.25 111.029 172.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1012 ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' 1008 ' ' TRP . 22.5 mt -70.44 -49.46 48.57 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 108.279 -1.008 . . . . 54.43 108.279 173.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 19.4 t70 -61.18 -32.38 72.12 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 114.076 -1.42 . . . . 74.22 110.844 177.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -71.25 -46.52 60.81 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.062 0.545 . . . . 52.14 110.437 178.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 38.0 t80 -59.66 -57.85 11.14 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.418 0.687 . . . . 75.5 110.175 177.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -42.78 -50.69 5.59 Favored 'General case' 0 C--O 1.242 0.675 0 C-N-CA 125.845 1.658 . . . . 42.42 112.325 172.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1017 ' ' ALA . . . . . 0.426 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -61.24 -61.64 2.41 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 123.933 0.771 . . . . 53.42 111.382 179.644 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -60.47 -33.99 73.38 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.067 0.947 . . . . 71.31 112.1 -173.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1019 ' ' MET . . . . . 0.741 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 1.9 ptm -87.26 -21.73 25.62 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 116.224 -0.443 . . . . 73.04 111.037 -174.095 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -78.59 -18.99 53.75 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 110.267 -0.272 . . . . 73.02 110.267 163.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1021 ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' 1017 ' ' ALA . 97.4 mt -87.74 -11.68 47.43 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.814 0.846 . . . . 75.31 111.38 174.566 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1022 ' ' LEU . . . . . 0.741 ' HG ' ' HA ' ' A' 1019 ' ' MET . 34.8 mt . . . . . 0 N--CA 1.498 1.954 0 C-N-CA 123.178 0.591 . . . . 51.32 111.337 172.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 111.905 0.335 . . . . 54.31 111.905 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 p -62.9 -45.71 91.25 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 122.984 0.514 . . . . 45.13 110.519 177.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 33.7 m -55.39 -54.37 44.55 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 124.583 1.177 . . . . 45.13 111.524 176.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.14 -54.81 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-N 115.339 -0.846 . . . . 72.13 110.862 -174.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -56.15 -53.25 59.32 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 123.725 0.64 . . . . 72.3 110.791 -178.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -60.39 -54.4 46.13 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.594 0.758 . . . . 73.2 111.192 -172.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.535 HD11 HG12 ' A' ' 60' ' ' ILE . 90.1 mt -62.89 -46.38 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 123.388 0.675 . . . . 53.25 111.235 -178.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -64.77 -36.62 84.91 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 122.871 0.468 . . . . 72.44 111.681 -175.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.472 ' O ' HG13 ' A' ' 14' ' ' ILE . 57.4 mtt180 -73.16 -48.86 31.79 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 123.444 0.465 . . . . 75.2 109.821 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 62.2 m95 -59.65 -40.7 88.58 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 111.955 0.354 . . . . 61.53 111.955 176.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.477 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 51.6 tt0 -59.65 -48.17 82.72 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.379 1.071 . . . . 72.43 109.841 176.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -58.35 -45.59 87.89 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 124.361 1.038 . . . . 63.12 110.856 -179.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.526 HG22 ' OG1' ' A' ' 71' ' ' THR . 75.6 mt -65.92 -38.93 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 123.923 0.889 . . . . 74.22 110.487 -178.558 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.73 -44.24 86.57 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.165 0.586 . . . . 71.33 111.586 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 85.1 mt -69.75 -43.53 72.07 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 115.58 -0.736 . . . . 74.24 110.467 -178.442 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 69.1 mt -61.31 -51.88 67.01 Favored 'General case' 0 C--O 1.214 -0.811 0 O-C-N 123.944 0.778 . . . . 75.34 110.197 177.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.434 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . 77.6 p -63.38 -35.75 81.43 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.24 0.616 . . . . 64.44 111.806 -177.48 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -62.78 -52.04 64.73 Favored 'General case' 0 C--O 1.251 1.132 0 C-N-CA 123.216 0.606 . . . . 74.34 110.269 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.539 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 50.4 m -55.31 -55.14 34.91 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 124.461 1.101 . . . . 75.44 110.1 176.224 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.58 HD21 ' HB2' ' A' ' 36' ' ' GLN . 85.7 mt -60.74 -32.65 71.92 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.365 1.466 . . . . 54.43 111.619 -176.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.717 HD22 ' HA ' ' A' ' 74' ' ' ASN . 37.4 tp -64.75 -54.04 37.72 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 109.335 -0.616 . . . . 73.44 109.335 176.601 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -57.32 -36.82 71.58 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 124.276 0.985 . . . . 53.25 111.028 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 20' ' ' SER . 95.7 mt -64.97 -45.22 86.59 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.421 0.688 . . . . 74.04 110.747 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.488 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -67.78 -34.7 77.3 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 122.813 0.445 . . . . 74.11 111.2 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -70.14 -28.15 65.13 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 124.007 0.923 . . . . 72.05 111.072 174.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.6 mtp180 -104.14 8.66 36.39 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 124.004 0.921 . . . . 75.44 112.254 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.7 20.26 77.23 Favored Glycine 0 C--N 1.351 1.408 0 N-CA-C 115.258 0.863 . . . . 62.24 115.258 173.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.515 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 41.9 mm-40 -81.53 68.27 7.81 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.939 0.895 . . . . 74.5 109.965 174.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -68.31 -30.31 69.27 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.307 0.643 . . . . 74.14 110.658 -176.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -62.84 -47.85 81.63 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.073 0.949 . . . . 74.32 110.576 176.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.2 mt -70.85 -24.46 62.53 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 115.583 -0.735 . . . . 71.13 111.53 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 78.4 mt -63.4 -54.87 29.89 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 109.096 -0.705 . . . . 72.14 109.096 169.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.445 ' HB3' HH11 ' A' 1004 ' ' ARG . 89.8 mt -66.92 -21.52 65.99 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.749 0.82 . . . . 50.15 112.272 -177.146 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -71.93 -58.0 3.82 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.535 0.734 . . . . 65.25 110.239 175.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.58 ' HB2' HD21 ' A' ' 21' ' ' LEU . 74.7 mt-30 -87.19 -9.04 56.2 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.602 1.161 . . . . 63.21 112.132 -173.073 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.402 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 1.3 tm-20 -47.03 -54.86 9.31 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 125.292 1.437 . . . . 72.41 112.088 176.185 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.4 p -56.15 -43.07 75.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 O-C-N 123.841 0.713 . . . . 62.2 111.57 178.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.5 m -63.77 -40.94 97.92 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.707 0.803 . . . . 63.32 111.168 -178.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.434 ' CE2' ' HB3' ' A' ' 18' ' ' SER . 48.1 t80 -69.46 -47.35 64.26 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.11 -0.95 . . . . 72.23 111.57 -177.412 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.425 HD11 ' HA ' ' A' 1008 ' ' TRP . 46.0 mt -70.72 -28.75 64.96 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 116.179 -0.464 . . . . 33.4 110.647 -178.191 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -71.13 -43.98 66.5 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.745 0.818 . . . . 75.53 110.677 176.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.45 ' HA ' HG22 ' A' ' 46' ' ' THR . 46.7 p -67.01 -37.45 84.2 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.677 0.391 . . . . 73.43 110.895 178.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 26.5 mt -57.1 -51.7 65.66 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 124.35 1.06 . . . . 71.31 110.575 171.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -57.28 -46.46 83.1 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 114.745 -1.116 . . . . 62.14 111.038 -177.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.45 HG22 ' HA ' ' A' ' 43' ' ' SER . 7.5 t -78.88 -25.85 43.92 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 115.575 -0.739 . . . . 74.45 112.086 -173.441 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.1 p -76.51 -35.51 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 CA-C-N 118.649 0.659 . . . . 74.42 110.149 176.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 33.7 ttm -75.73 -27.82 58.29 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.635 -0.712 . . . . 60.15 109.463 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 . . . . . 0 CA--C 1.549 0.912 0 C-N-CA 124.291 1.036 . . . . 73.23 111.094 169.857 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.8 p . . . . . 0 CA--C 1.549 0.908 0 N-CA-C 111.931 0.345 . . . . 62.33 111.931 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -56.07 -52.31 64.71 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.712 1.205 . . . . 71.42 113.019 -175.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.4 m -63.74 -47.26 81.76 Favored 'General case' 0 C--O 1.246 0.885 0 O-C-N 123.864 0.728 . . . . 75.21 111.404 -173.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.535 HG12 HD11 ' A' ' 8' ' ' ILE . 64.2 mt -60.2 -56.01 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 O-C-N 123.809 0.693 . . . . 73.22 109.694 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.6 -41.16 80.66 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 124.062 0.852 . . . . 72.34 110.768 -176.072 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -66.88 -53.99 26.73 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.606 0.762 . . . . 70.51 110.817 -176.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 71.9 mtm -63.14 -44.43 95.58 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 123.842 0.713 . . . . 74.32 110.728 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.0 t -61.93 -39.6 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 123.817 0.847 . . . . 73.3 110.862 177.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.98 -33.99 77.37 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 123.36 0.413 . . . . 41.51 110.558 176.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.23 -47.19 90.19 Favored Glycine 0 C--N 1.353 1.485 0 O-C-N 123.948 0.78 . . . . 25.23 111.486 172.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -63.65 -33.56 75.91 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.564 0.746 . . . . 60.22 111.228 178.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 24.6 mt -68.77 -46.83 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 124.922 1.289 . . . . 75.23 110.39 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -61.13 -46.35 90.92 Favored 'General case' 0 C--O 1.252 1.196 0 C-N-CA 122.984 0.514 . . . . 73.31 110.398 177.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -56.57 -60.05 4.1 Favored 'General case' 0 C--N 1.356 0.862 0 O-C-N 124.447 1.092 . . . . 54.21 110.233 178.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.526 ' OG1' HG22 ' A' ' 14' ' ' ILE . 11.1 t -68.75 -38.13 79.9 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 123.495 0.497 . . . . 74.23 112.305 -169.47 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.409 HD21 ' SD ' ' A' 1019 ' ' MET . 39.9 mt -67.16 -41.12 86.56 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 123.349 0.405 . . . . 62.11 111.601 178.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -73.38 -39.92 64.75 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 120.638 0.256 . . . . 74.43 111.333 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.717 ' HA ' HD22 ' A' ' 22' ' ' LEU . 94.3 m-20 -59.43 -48.21 82.5 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.944 0.898 . . . . 63.22 110.337 174.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -68.95 -32.43 72.03 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.824 1.25 . . . . 75.21 111.077 -179.211 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -63.36 -48.3 78.49 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.467 0.707 . . . . 75.43 109.887 177.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 96.5 mt -67.13 -38.84 86.27 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 115.193 -0.912 . . . . 75.12 110.791 177.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 25.5 mt -57.7 -44.21 85.73 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.972 0.909 . . . . 65.54 111.083 172.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -65.7 -52.75 48.91 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.142 0.977 . . . . 75.2 108.741 -173.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.54 -44.49 95.06 Favored Glycine 0 C--N 1.354 1.552 0 O-C-N 124.204 0.94 . . . . 64.43 113.471 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.488 HD22 ' HB1' ' A' ' 25' ' ' ALA . 10.4 tt -61.95 -56.44 19.15 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.789 0.835 . . . . 71.42 109.994 -178.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 23.9 mt -67.79 -25.09 65.42 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.978 0.911 . . . . 54.13 111.933 -177.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 -67.85 -54.34 19.7 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 123.13 0.269 . . . . 60.31 110.37 174.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.458 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 25.4 mt-30 -63.78 -26.44 68.64 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 123.83 0.707 . . . . 61.45 111.492 176.592 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -74.95 -50.2 17.5 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 109.054 -0.721 . . . . 73.34 109.054 -177.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.531 HD23 HD12 ' A' ' 89' ' ' LEU . 97.6 mt -66.32 -27.72 68.12 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.329 0.652 . . . . 74.41 111.068 176.102 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -61.37 -55.25 33.69 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.093 0.957 . . . . 72.34 109.931 174.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 84' ' ' GLN . 50.9 mt-10 -54.81 -47.77 73.61 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 115.11 -0.95 . . . . 74.04 110.594 177.452 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.531 HD12 HD23 ' A' ' 86' ' ' LEU . 96.3 mt -56.79 -43.42 80.89 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 124.174 0.921 . . . . 75.43 111.568 178.119 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.5 m . . . . . 0 N--CA 1.485 1.278 0 C-N-CA 122.872 0.469 . . . . 74.4 111.22 177.861 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 44.3 ttp . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 111.219 0.081 . . . . 74.01 111.219 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 32.6 p -65.51 -44.32 87.37 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 112.126 0.417 . . . . 44.24 112.126 -175.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 42.8 p -69.84 -42.27 73.81 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.358 0.263 . . . . 75.02 110.893 -177.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1004 ' ' ARG . . . . . 0.445 HH11 ' HB3' ' A' ' 34' ' ' LEU . 95.4 mtt180 -60.22 -48.59 81.09 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 123.751 0.657 . . . . 74.52 110.68 177.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1005 ' ' LEU . . . . . 0.536 ' HA ' ' HB3' ' A' 1008 ' ' TRP . 54.0 mt -73.94 -29.42 62.01 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 123.801 0.688 . . . . 70.52 112.502 -175.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 32.2 p -74.38 -39.59 62.62 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 118.593 0.633 . . . . 51.11 110.522 176.144 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 40.3 mmm-85 -64.08 -37.6 88.04 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-O 121.157 0.503 . . . . 62.5 110.187 171.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1008 ' ' TRP . . . . . 0.536 ' HB3' ' HA ' ' A' 1005 ' ' LEU . 1.6 t-105 -61.88 -49.33 76.66 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 114.72 -1.127 . . . . 70.51 110.258 177.172 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1009 ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' 1005 ' ' LEU . 80.2 mt -70.75 -35.24 72.57 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 109.175 -0.676 . . . . 75.34 109.175 -175.234 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 21.6 m -57.65 -47.09 83.23 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.366 1.067 . . . . 72.14 110.436 173.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -73.1 -28.4 62.25 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.283 0.633 . . . . 74.51 111.499 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1012 ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' 1008 ' ' TRP . 15.9 mt -66.36 -52.69 44.37 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 121.338 0.59 . . . . 54.22 109.686 175.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 23.8 t70 -64.35 -38.61 91.64 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 114.463 -1.244 . . . . 75.45 110.553 -176.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 55.1 t30 -67.21 -44.07 80.46 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 115.655 -0.702 . . . . 70.52 110.745 178.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 45.1 t80 -61.3 -60.52 3.61 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 123.715 0.634 . . . . 73.11 109.846 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -46.53 -50.72 16.76 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.872 1.269 . . . . 40.31 112.22 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -60.22 -59.92 4.65 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 124.09 0.869 . . . . 52.13 111.711 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -63.36 -37.19 86.29 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.987 0.915 . . . . 73.43 111.789 -174.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1019 ' ' MET . . . . . 0.499 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.3 OUTLIER -81.26 -22.25 38.83 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.816 -0.629 . . . . 62.21 110.813 -175.569 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -70.22 -36.66 74.7 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 109.546 -0.539 . . . . 42.12 109.546 166.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.55 -25.88 66.03 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.553 0.741 . . . . 71.31 111.787 176.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1022 ' ' LEU . . . . . 0.499 ' HG ' ' HA ' ' A' 1019 ' ' MET . 85.6 mt . . . . . 0 N--CA 1.495 1.787 0 C-N-CA 123.109 0.563 . . . . 73.55 111.358 170.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.4 p . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 112.83 0.678 . . . . 41.41 112.83 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 m -63.49 -37.04 85.77 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.188 0.595 . . . . 63.13 111.58 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.6 m -63.76 -55.6 21.9 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.137 0.975 . . . . 70.43 111.15 178.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 75.5 t -57.57 -49.01 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 O-C-N 123.647 0.592 . . . . 41.53 110.084 178.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.419 ' HG3' ' CZ ' ' A' ' 10' ' ' ARG . 8.6 tp10 -53.73 -50.53 65.76 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.25 1.02 . . . . 53.14 111.645 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -68.37 -55.2 12.8 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.776 0.83 . . . . 61.32 111.007 -174.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.635 HD11 HG12 ' A' ' 60' ' ' ILE . 84.6 mt -61.1 -42.31 92.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 123.959 0.904 . . . . 54.13 111.278 -178.425 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -74.36 -34.43 63.38 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.8 0.44 . . . . 73.11 111.232 -174.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.465 ' O ' HG13 ' A' ' 14' ' ' ILE . 82.5 mtm180 -66.65 -46.28 76.23 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 119.274 -0.393 . . . . 74.55 110.108 173.185 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 57.9 m95 -64.16 -33.25 75.35 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 123.134 0.271 . . . . 75.02 111.684 177.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -67.12 -40.41 86.83 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.591 0.756 . . . . 71.0 109.206 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -66.21 -42.61 88.52 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.346 -0.843 . . . . 73.54 110.369 178.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 10' ' ' ARG . 84.3 mt -68.96 -33.93 61.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.79 0.836 . . . . 74.03 110.111 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.83 -52.03 58.91 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.326 0.65 . . . . 53.2 110.328 176.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.6 mt -61.02 -44.39 97.48 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 124.285 0.991 . . . . 64.11 110.749 178.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 66.6 mt -61.56 -50.66 71.74 Favored 'General case' 0 C--O 1.211 -0.946 0 C-N-CA 123.218 0.607 . . . . 55.24 110.157 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 85.7 p -63.34 -43.79 96.71 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.162 0.585 . . . . 73.4 112.222 -175.026 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -71.0 -38.59 72.67 Favored 'General case' 0 C--O 1.247 0.964 0 O-C-N 123.417 0.448 . . . . 64.51 111.197 -178.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.527 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 70.4 m -64.8 -40.9 95.98 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 122.822 0.449 . . . . 64.43 110.069 174.634 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.595 HD13 ' HH2' ' A' 1008 ' ' TRP . 41.0 mt -65.23 -34.85 79.33 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.892 0.877 . . . . 73.4 110.492 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.2 tp -67.17 -39.62 86.5 Favored 'General case' 0 C--N 1.349 0.571 0 N-CA-C 109.77 -0.456 . . . . 73.22 109.77 176.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -58.85 -45.49 89.99 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 123.655 0.597 . . . . 63.33 110.337 173.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 20' ' ' SER . 75.9 mt -63.63 -41.1 98.29 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.095 0.958 . . . . 42.42 111.359 -178.238 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.516 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -70.75 -46.66 62.57 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.08 0.552 . . . . 72.24 111.314 -177.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -66.38 -32.79 74.4 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 123.941 0.776 . . . . 73.44 111.429 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -88.85 -22.8 23.01 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.344 0.658 . . . . 74.24 110.181 -177.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.97 16.99 24.23 Favored Glycine 0 C--N 1.354 1.545 0 N-CA-C 115.774 1.07 . . . . 73.03 115.774 173.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -77.78 83.59 4.13 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-N 118.793 1.297 . . . . 54.1 110.009 170.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 39.1 m95 -72.62 -31.06 64.86 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.507 0.723 . . . . 74.11 110.256 178.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -64.17 -43.56 94.78 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.69 0.796 . . . . 73.14 111.203 177.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 76.8 mt -76.69 -21.87 54.74 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 115.967 -0.56 . . . . 75.41 111.244 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.438 HD13 HD21 ' A' ' 82' ' ' LEU . 74.7 mt -63.93 -47.43 80.54 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 109.365 -0.605 . . . . 75.41 109.365 167.502 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.0 mt -68.7 -29.43 67.87 Favored 'General case' 0 N--CA 1.484 1.256 0 O-C-N 123.777 0.673 . . . . 73.42 112.19 177.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -69.47 -52.64 24.73 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.96 0.504 . . . . 62.43 110.067 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.449 ' HB2' HD21 ' A' ' 21' ' ' LEU . 8.9 mp0 -80.3 -12.67 59.58 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-O 118.668 -0.682 . . . . 71.22 111.34 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.68 -56.58 6.97 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 124.439 1.096 . . . . 70.43 111.894 176.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.7 m -61.58 -37.21 77.36 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 CA-C-N 115.361 -0.836 . . . . 75.03 112.001 -178.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.9 m -71.96 -38.97 69.66 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.611 0.765 . . . . 64.04 111.408 -178.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -73.57 -46.15 49.12 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.059 0.944 . . . . 75.42 110.222 -175.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.596 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 78.9 mt -67.07 -39.6 86.89 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.73 -0.668 . . . . 72.12 110.014 178.527 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -60.43 -46.5 89.83 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 122.903 0.481 . . . . 70.02 111.397 176.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.2 p -63.53 -37.77 88.6 Favored 'General case' 0 C--O 1.25 1.109 0 C-N-CA 123.001 0.52 . . . . 72.31 110.819 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.8 mt -57.99 -47.52 86.43 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 C-N-CA 124.2 1.0 . . . . 72.32 111.026 171.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.596 ' HG2' ' O ' ' A' ' 41' ' ' LEU . 6.3 mm-40 -63.94 -48.93 74.57 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 122.701 0.401 . . . . 72.52 111.015 -176.443 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.41 HG23 ' HD2' ' A' ' 10' ' ' ARG . 4.8 t -65.5 -39.8 92.31 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 112.059 0.392 . . . . 74.31 112.059 -177.511 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 p -74.35 -32.52 31.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 CA-C-N 118.125 0.42 . . . . 73.32 111.368 -177.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 49.1 ttm -80.1 -21.13 43.61 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.213 0.605 . . . . 64.23 110.534 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 . . . . . 0 N--CA 1.476 0.839 0 C-N-CA 122.955 0.502 . . . . 73.14 110.283 172.823 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.9 t . . . . . 0 N--CA 1.487 1.397 0 N-CA-C 111.624 0.231 . . . . 72.25 111.624 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.9 mtp-105 -64.15 -23.68 67.41 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 123.582 0.551 . . . . 74.03 112.073 -175.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.3 m -64.93 -59.66 3.93 Favored 'General case' 0 C--O 1.245 0.834 0 C-N-CA 122.566 0.347 . . . . 73.13 110.241 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.635 HG12 HD11 ' A' ' 8' ' ' ILE . 77.8 mt -61.5 -48.81 87.09 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 C-N-CA 123.486 0.714 . . . . 74.33 109.511 179.27 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -55.27 -44.01 75.23 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.866 0.867 . . . . 73.34 111.873 -178.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -71.02 -47.37 59.06 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 122.877 0.471 . . . . 75.03 111.444 -178.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 75.4 mtm -61.81 -47.53 84.71 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-O 120.88 0.372 . . . . 62.23 110.357 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 39.7 t -64.37 -36.29 76.75 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.929 0 C-N-CA 124.343 1.057 . . . . 63.11 111.1 176.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.46 -27.35 66.09 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 118.394 0.543 . . . . 42.52 111.248 177.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.75 -43.58 59.01 Favored Glycine 0 C--N 1.347 1.185 0 N-CA-C 111.153 -0.779 . . . . 73.44 111.153 171.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -67.69 -27.79 67.13 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.648 0.779 . . . . 72.42 111.323 176.011 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.453 ' HA ' HG22 ' A' ' 71' ' ' THR . 12.0 mt -75.85 -38.24 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.597 1.159 . . . . 74.25 109.651 178.66 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.16 -45.77 91.93 Favored 'General case' 0 C--N 1.351 0.631 0 N-CA-C 108.629 -0.878 . . . . 75.43 108.629 172.668 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -59.12 -54.84 42.46 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 123.979 0.799 . . . . 51.01 110.898 -178.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.453 HG22 ' HA ' ' A' ' 68' ' ' ILE . 8.9 t -61.69 -48.4 80.97 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-O 118.955 -0.545 . . . . 65.43 111.312 -176.631 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.2 mt -67.75 -38.84 84.03 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 112.761 0.652 . . . . 43.45 112.761 -176.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -73.76 -52.42 13.21 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.105 0.562 . . . . 73.23 110.273 -175.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -65.23 -34.14 77.65 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 115.1 -0.955 . . . . 74.12 111.104 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -75.39 -31.26 60.39 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.237 0.615 . . . . 72.22 111.437 176.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -65.02 -40.57 95.06 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-O 121.429 0.633 . . . . 64.35 109.685 175.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 80.2 mt -71.31 -37.96 71.76 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 115.016 -0.993 . . . . 74.13 111.061 176.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 35.6 mt -58.41 -41.81 85.77 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.233 0.613 . . . . 63.43 110.452 169.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.489 ' HE3' ' O ' ' A' 1009 ' ' LEU . 19.3 tptm -63.44 -50.27 70.43 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 124.383 1.073 . . . . 72.15 109.775 -175.22 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.97 -54.49 34.69 Favored Glycine 0 C--N 1.346 1.12 0 O-C-N 124.689 1.243 . . . . 72.13 112.818 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.516 HD22 ' HB1' ' A' ' 25' ' ' ALA . 9.7 tt -55.97 -57.79 10.62 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 123.863 0.865 . . . . 73.14 110.755 -178.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.511 HD13 ' HE1' ' A' 1008 ' ' TRP . 44.1 mt -65.2 -32.81 74.67 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.853 0.861 . . . . 71.34 112.334 -173.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -63.11 -49.83 72.87 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 109.682 -0.488 . . . . 74.44 109.682 173.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -65.67 -36.19 82.94 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 123.69 0.619 . . . . 74.22 111.839 -178.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.427 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 11.8 mmm180 -71.74 -48.0 49.99 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 122.792 0.437 . . . . 64.54 110.24 -177.562 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.55 HD11 ' HB3' ' A' 1005 ' ' LEU . 97.5 mt -63.74 -31.19 72.28 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 122.7 0.4 . . . . 75.24 111.359 176.727 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -58.84 -55.05 40.17 Favored 'General case' 0 C--O 1.249 1.046 0 C-N-CA 124.008 0.923 . . . . 52.21 109.848 173.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -57.85 -49.68 75.87 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-N 114.659 -1.155 . . . . 75.4 110.904 177.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 91.8 mt -57.42 -45.1 84.98 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 124.179 0.924 . . . . 74.45 111.638 -175.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.9 m . . . . . 0 N--CA 1.476 0.848 0 C-N-CA 122.804 0.441 . . . . 72.12 110.965 177.901 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 58.5 ttp . . . . . 0 CA--C 1.544 0.721 0 N-CA-C 111.223 0.083 . . . . 71.04 111.223 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 42.0 p -69.32 -46.04 68.05 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 118.999 -0.524 . . . . 71.03 111.719 -173.085 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 63.2 m -64.25 -48.58 75.23 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 118.094 0.406 . . . . 73.42 111.651 -176.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -68.62 -38.26 80.42 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-O 118.677 -0.677 . . . . 61.52 110.974 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1005 ' ' LEU . . . . . 0.55 ' HB3' HD11 ' A' ' 86' ' ' LEU . 40.5 mt -72.91 -32.87 65.63 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-O 118.904 -0.569 . . . . 63.41 112.427 -178.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 40.5 p -72.1 -40.95 67.83 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-N 118.999 0.818 . . . . 64.22 109.764 176.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -63.63 -35.97 82.29 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.669 0.787 . . . . 64.24 110.549 173.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1008 ' ' TRP . . . . . 0.595 ' HH2' HD13 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -66.57 -44.61 81.81 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.179 0.991 . . . . 72.43 109.732 176.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1009 ' ' LEU . . . . . 0.489 ' O ' ' HE3' ' A' ' 79' ' ' LYS . 91.2 mt -66.67 -38.06 86.06 Favored 'General case' 0 C--N 1.358 0.942 0 O-C-N 123.585 0.553 . . . . 73.32 110.605 -178.562 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 12.9 t -75.26 -23.94 57.55 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 118.489 0.586 . . . . 74.12 110.703 177.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -77.46 -27.53 52.11 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 122.879 0.472 . . . . 62.4 111.3 171.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1012 ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' 1008 ' ' TRP . 34.1 mt -72.06 -39.78 68.78 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 108.773 -0.825 . . . . 60.24 108.773 172.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 11.8 t70 -69.81 -35.61 74.95 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 114.944 -1.025 . . . . 73.45 109.967 -178.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 9.6 t30 -66.58 -46.94 74.34 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 115.272 -0.876 . . . . 53.35 110.535 174.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 54.5 t80 -57.38 -57.38 12.9 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 123.702 0.626 . . . . 72.41 109.876 177.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -42.36 -56.72 2.87 Favored 'General case' 0 CA--C 1.549 0.94 0 O-C-N 125.092 1.495 . . . . 73.13 112.277 174.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1017 ' ' ALA . . . . . 0.437 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -60.26 -60.07 4.4 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.478 0.711 . . . . 72.33 112.021 -178.086 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1018 ' ' LYS . . . . . 0.454 ' HD3' HD12 ' A' 1021 ' ' LEU . 32.0 mmtp -69.64 -29.18 66.59 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.642 0.777 . . . . 73.3 112.076 -170.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1019 ' ' MET . . . . . 0.557 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.1 OUTLIER -82.5 -26.8 32.21 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 110.395 -0.224 . . . . 71.25 110.395 179.67 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -71.77 -25.47 62.04 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.451 -0.34 . . . . 74.24 110.404 168.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1021 ' ' LEU . . . . . 0.454 HD12 ' HD3' ' A' 1018 ' ' LYS . 93.6 mt -75.36 -31.12 60.43 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 118.591 -0.718 . . . . 73.22 111.315 173.065 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1022 ' ' LEU . . . . . 0.557 ' HG ' ' HA ' ' A' 1019 ' ' MET . 85.4 mt . . . . . 0 N--CA 1.5 2.074 0 C-N-CA 123.183 0.593 . . . . 62.23 111.533 175.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.4 m . . . . . 0 N--CA 1.482 1.167 0 N-CA-C 112.393 0.516 . . . . 75.24 112.393 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.9 m -60.05 -42.66 94.95 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 123.479 0.487 . . . . 75.41 110.496 178.003 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 93.7 m -57.85 -47.84 81.52 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 124.699 1.2 . . . . 73.55 111.379 177.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 84.1 t -62.46 -58.14 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 123.194 0.598 . . . . 72.41 110.271 -178.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.497 ' HB3' ' NH2' ' A' ' 10' ' ' ARG . 48.9 mt-10 -55.05 -43.63 73.99 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.487 0.715 . . . . 73.51 111.59 -177.136 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -63.93 -60.05 3.75 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 114.844 -1.071 . . . . 71.41 110.788 -176.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.594 HD11 HG12 ' A' ' 60' ' ' ILE . 80.0 mt -65.31 -45.05 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 C-N-CA 123.565 0.746 . . . . 64.04 111.599 -175.746 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -66.2 -39.29 89.56 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.625 0.77 . . . . 71.2 111.537 -176.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.497 ' NH2' ' HB3' ' A' ' 6' ' ' GLU . 53.1 mtm180 -85.97 -23.36 26.93 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-O 118.574 -0.727 . . . . 63.25 112.42 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 15.6 m95 -64.53 -41.77 96.17 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-N 118.648 0.658 . . . . 71.35 109.225 167.223 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.45 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 65.1 tt0 -60.53 -46.64 89.42 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 114.907 -1.042 . . . . 73.24 109.889 174.787 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -59.33 -40.38 86.15 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 123.992 0.808 . . . . 74.42 111.072 -178.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.418 HG22 ' OG1' ' A' ' 71' ' ' THR . 96.4 mt -68.58 -38.3 78.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 123.893 0.877 . . . . 72.54 110.967 178.186 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.13 -43.1 93.01 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 121.299 0.571 . . . . 45.5 110.804 177.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 84.5 mt -62.8 -49.92 73.06 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.522 1.129 . . . . 74.02 110.057 178.353 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.9 mt -62.1 -44.45 96.62 Favored 'General case' 0 C--O 1.209 -1.055 0 CA-C-N 115.049 -0.978 . . . . 62.02 111.138 179.22 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 65.5 p -66.84 -43.57 83.34 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.546 0.338 . . . . 73.14 111.459 -174.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -67.86 -38.26 82.88 Favored 'General case' 0 N--CA 1.484 1.242 0 O-C-N 123.165 0.291 . . . . 71.12 111.067 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.527 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 73.8 m -60.52 -60.3 4.02 Favored 'General case' 0 C--N 1.356 0.862 0 O-C-N 123.67 0.606 . . . . 53.33 109.935 175.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.593 HD13 ' HH2' ' A' 1008 ' ' TRP . 37.7 mt -56.31 -30.39 62.48 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.798 1.639 . . . . 74.3 111.75 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.462 HD22 ' HA ' ' A' ' 74' ' ' ASN . 53.5 tp -66.56 -51.0 61.25 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 123.7 0.625 . . . . 71.35 110.39 177.414 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -60.11 -39.66 86.96 Favored 'General case' 0 N--CA 1.484 1.227 0 O-C-N 123.929 0.768 . . . . 54.44 110.598 178.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 20' ' ' SER . 64.8 mt -63.2 -46.02 88.99 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 115.585 -0.734 . . . . 73.5 110.475 179.273 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.469 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -61.57 -39.04 89.73 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.527 0.731 . . . . 74.44 111.216 177.253 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -68.82 -25.77 64.84 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 115.469 -0.787 . . . . 72.32 111.661 176.259 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -93.03 -1.11 56.91 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 122.986 0.514 . . . . 64.44 112.178 173.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.5 13.94 82.93 Favored Glycine 0 CA--C 1.534 1.281 0 N-CA-C 114.262 0.465 . . . . 62.32 114.262 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -80.36 75.81 7.18 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.612 1.165 . . . . 72.45 110.092 -179.086 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.409 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 8.5 m95 -70.4 -33.9 71.92 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 122.931 0.492 . . . . 71.53 111.655 -172.466 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -58.69 -40.01 82.35 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.997 0.919 . . . . 73.04 111.714 -175.238 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.63 -31.6 71.73 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.345 -0.843 . . . . 73.22 110.894 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' A' ' 37' ' ' GLU . 10.5 mp -70.38 -38.8 74.79 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 122.671 0.389 . . . . 74.03 110.439 172.134 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 30' ' ' TRP . 75.9 mt -64.44 -34.38 78.07 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.241 0.617 . . . . 74.53 111.048 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -76.45 -56.98 4.13 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.387 1.075 . . . . 74.54 110.918 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.522 ' HB2' HD21 ' A' ' 21' ' ' LEU . 86.1 mt-30 -78.43 -8.24 58.27 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.573 1.149 . . . . 74.21 112.289 -173.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 80.6 tt0 -43.8 -65.74 0.47 Allowed 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 125.095 1.358 . . . . 71.41 112.654 175.554 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.0 m -65.66 -26.18 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 O-C-N 123.396 0.435 . . . . 73.02 111.922 -173.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.8 m -71.2 -46.72 60.63 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.532 0.733 . . . . 51.33 110.592 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -61.82 -48.66 79.57 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.019 -0.991 . . . . 64.5 110.055 178.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 64.7 mt -71.64 -28.49 63.8 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 115.101 -0.954 . . . . 61.41 111.262 -176.333 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -67.91 -48.21 66.61 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.014 0.525 . . . . 74.3 110.018 175.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.5 t -61.71 -38.32 87.44 Favored 'General case' 0 CA--C 1.552 1.022 0 O-C-N 124.011 0.82 . . . . 74.01 109.928 179.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.6 mt -56.27 -51.79 59.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 124.775 1.23 . . . . 73.11 110.904 172.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -63.16 -45.49 91.61 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 114.655 -1.157 . . . . 74.22 110.976 -173.148 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.6 t -76.84 -32.88 57.85 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 115.497 -0.774 . . . . 62.31 112.458 -174.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.8 p -74.15 -35.41 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 CA-C-N 118.051 0.387 . . . . 71.24 110.198 178.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.447 ' SD ' ' HD2' ' A' 1018 ' ' LYS . 56.4 ttm -72.32 -30.1 64.45 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.48 -0.782 . . . . 74.45 109.871 177.361 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 . . . . . 0 CA--C 1.553 1.062 0 CA-C-N 115.725 -0.67 . . . . 63.34 110.715 172.799 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.48 1.067 0 N-CA-C 111.989 0.366 . . . . 65.31 111.989 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -51.5 68.55 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 125.145 1.378 . . . . 73.52 112.968 -173.143 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.4 m -60.12 -52.74 64.06 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 123.557 0.536 . . . . 52.43 111.211 -177.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.594 HG12 HD11 ' A' ' 8' ' ' ILE . 53.1 mt -62.52 -40.4 88.06 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 CA-C-N 115.584 -0.734 . . . . 75.4 110.185 -179.169 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -62.67 -52.47 63.2 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.756 0.422 . . . . 64.31 110.376 -177.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.61 -47.78 80.01 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.655 0.597 . . . . 74.45 111.214 -176.501 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 73.1 mtm -62.98 -60.17 3.82 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 123.349 0.405 . . . . 72.51 111.066 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.3 t -55.77 -44.75 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 123.765 0.826 . . . . 75.24 111.626 -178.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.59 -35.27 80.33 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 122.68 0.392 . . . . 74.11 111.406 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.85 -40.02 96.99 Favored Glycine 0 C--N 1.348 1.202 0 O-C-N 123.578 0.549 . . . . 71.45 112.148 175.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -73.21 -35.72 66.37 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.34 0.656 . . . . 72.53 110.658 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 37.6 mt -66.37 -44.95 90.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.246 1.018 . . . . 73.21 110.081 177.022 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -66.72 -40.6 88.47 Favored 'General case' 0 C--O 1.243 0.735 0 N-CA-C 109.223 -0.658 . . . . 55.11 109.223 -177.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -59.07 -56.12 26.27 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 114.509 -1.223 . . . . 73.41 110.46 176.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.418 ' OG1' HG22 ' A' ' 14' ' ' ILE . 10.2 t -70.51 -33.11 70.83 Favored 'General case' 0 C--O 1.211 -0.927 0 O-C-N 123.556 0.535 . . . . 74.2 112.086 -172.423 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.542 HD22 ' HG3' ' A' 1016 ' ' GLU . 51.7 mt -68.98 -40.36 78.86 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 118.149 0.431 . . . . 74.43 110.587 177.044 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -63.66 -52.64 59.83 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 123.5 0.5 . . . . 71.31 109.903 177.018 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.462 ' HA ' HD22 ' A' ' 22' ' ' LEU . 13.3 m120 -68.67 -35.84 77.74 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.256 -0.883 . . . . 53.42 111.747 -174.234 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.579 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 27.3 tt0 -78.95 -32.01 45.29 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 123.469 0.481 . . . . 54.54 111.153 -179.13 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -66.94 -39.84 87.43 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 109.212 -0.662 . . . . 61.5 109.212 175.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.4 mt -66.34 -35.23 79.84 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 114.845 -1.07 . . . . 73.12 110.874 171.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.579 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 7.9 mt -61.84 -65.06 0.75 Allowed 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.14 0.576 . . . . 71.21 110.191 176.166 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.525 ' HA ' HD22 ' A' 1009 ' ' LEU . 19.7 pttm -66.5 -26.72 67.3 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 112.526 0.565 . . . . 73.14 112.526 -174.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.78 -57.39 11.12 Favored Glycine 0 C--N 1.346 1.126 0 N-CA-C 112.19 -0.364 . . . . 73.42 112.19 172.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.501 ' O ' ' HG2' ' A' ' 85' ' ' ARG . 7.4 tt -58.63 -52.01 67.5 Favored 'General case' 0 C--O 1.212 -0.87 0 C-N-CA 123.483 0.713 . . . . 54.54 110.763 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.485 HD13 ' HE1' ' A' 1008 ' ' TRP . 48.7 mt -63.42 -36.1 82.6 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.512 1.125 . . . . 70.23 111.989 -176.417 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -62.11 -45.34 93.89 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 109.929 -0.397 . . . . 74.01 109.929 173.057 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -62.98 -39.54 95.02 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 124.019 0.824 . . . . 62.54 111.29 178.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 81' ' ' LEU . 31.6 mmm-85 -73.17 -47.19 45.85 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 109.863 -0.421 . . . . 74.44 109.863 -176.007 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.444 HD11 ' HB3' ' A' 1005 ' ' LEU . 96.3 mt -66.09 -25.78 67.17 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.359 0.664 . . . . 43.13 111.192 175.771 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -65.17 -48.19 74.38 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 108.873 -0.788 . . . . 71.22 108.873 174.375 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -59.03 -60.23 4.2 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 124.163 0.914 . . . . 73.44 110.374 175.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 96.2 mt -52.05 -50.35 61.67 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.212 1.405 . . . . 74.42 112.092 -176.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 N--CA 1.475 0.792 0 CA-C-O 119.347 -0.358 . . . . 60.52 110.889 -178.864 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 46.9 ttp . . . . . 0 CA--C 1.544 0.745 0 N-CA-C 111.583 0.216 . . . . 72.23 111.583 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 46.6 p -70.42 -42.04 72.13 Favored 'General case' 0 C--O 1.218 -0.57 0 C-N-CA 122.81 0.444 . . . . 53.4 110.996 -174.148 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 95.5 m -62.19 -45.51 93.06 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 122.983 0.513 . . . . 74.31 110.514 176.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 64.6 mtt-85 -55.49 -51.77 65.87 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 123.723 0.639 . . . . 52.3 110.78 174.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1005 ' ' LEU . . . . . 0.568 ' O ' ' HG ' ' A' 1009 ' ' LEU . 53.8 mt -68.64 -35.53 77.39 Favored 'General case' 0 C--O 1.21 -0.987 0 O-C-N 123.823 0.702 . . . . 72.34 112.258 -174.486 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 45.2 p -74.91 -38.51 61.81 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-N 118.94 0.791 . . . . 72.03 110.805 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -61.87 -39.07 90.63 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-O 121.648 0.737 . . . . 74.11 110.127 170.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1008 ' ' TRP . . . . . 0.593 ' HH2' HD13 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -65.64 -42.23 91.69 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 114.711 -1.131 . . . . 73.43 109.972 177.27 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1009 ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' 1005 ' ' LEU . 62.0 mt -70.45 -33.68 71.58 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 122.959 0.504 . . . . 74.33 111.437 -178.046 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 5.3 t -74.64 -30.27 61.56 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 109.857 -0.423 . . . . 74.24 109.857 176.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -72.91 -30.76 64.16 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.33 0.652 . . . . 54.44 111.238 173.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1012 ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' 1008 ' ' TRP . 20.4 mt -69.66 -46.09 66.91 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 121.456 0.646 . . . . 64.4 109.54 175.454 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 24.1 t70 -63.09 -37.99 89.4 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 114.93 -1.032 . . . . 73.4 110.283 177.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 6.2 t30 -64.33 -44.58 91.08 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.869 0.868 . . . . 61.12 111.046 176.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 40.8 t80 -62.02 -58.95 5.92 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 123.698 0.624 . . . . 70.21 109.821 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1016 ' ' GLU . . . . . 0.542 ' HG3' HD22 ' A' ' 72' ' ' LEU . 34.5 tt0 -54.78 -44.53 73.79 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 123.969 0.793 . . . . 73.24 111.684 -177.634 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1017 ' ' ALA . . . . . 0.424 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -63.97 -57.49 9.58 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.203 0.601 . . . . 62.11 111.729 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1018 ' ' LYS . . . . . 0.447 ' HD2' ' SD ' ' A' ' 48' ' ' MET . 1.0 OUTLIER -69.47 -33.01 72.28 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.808 0.843 . . . . 73.02 110.383 -173.174 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1019 ' ' MET . . . . . 0.567 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.1 OUTLIER -77.56 -25.57 50.18 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.948 -0.47 . . . . 73.33 110.21 179.23 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -69.55 -30.73 68.61 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 110.022 -0.362 . . . . 63.42 110.022 166.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1021 ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' 1017 ' ' ALA . 80.9 mt -72.78 -21.14 61.04 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.23 0.612 . . . . 63.31 111.721 174.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1022 ' ' LEU . . . . . 0.567 ' HG ' ' HA ' ' A' 1019 ' ' MET . 90.6 mt . . . . . 0 N--CA 1.496 1.863 0 CA-C-N 118.009 0.368 . . . . 53.32 110.572 168.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.3 m . . . . . 0 N--CA 1.486 1.352 0 N-CA-C 112.912 0.708 . . . . 65.11 112.912 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.7 p -62.03 -42.0 98.7 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.802 0.441 . . . . 33.13 110.941 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 33.4 m -62.76 -58.39 7.62 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.817 1.247 . . . . 72.43 111.515 -177.564 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.8 p -61.87 -38.82 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 123.701 0.8 . . . . 51.21 110.857 -178.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -61.16 -50.11 74.49 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.724 0.809 . . . . 55.53 110.737 -179.351 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -65.96 -46.62 77.43 Favored 'General case' 0 CA--C 1.552 1.039 0 CA-C-N 114.653 -1.158 . . . . 64.45 111.469 -177.043 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.415 HG23 ' HE1' ' A' ' 67' ' ' TYR . 91.0 mt -68.96 -33.65 60.11 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 C-N-CA 124.322 1.049 . . . . 60.54 111.196 -178.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -73.96 -32.52 63.5 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 122.916 0.486 . . . . 63.42 111.279 177.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.423 ' O ' HG13 ' A' ' 14' ' ' ILE . 68.2 mtt180 -64.42 -51.63 62.19 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 109.853 -0.425 . . . . 71.15 109.853 172.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 54.4 m95 -61.5 -34.09 74.89 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 123.574 0.547 . . . . 70.24 111.772 176.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.438 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 60.7 tt0 -61.4 -50.09 74.27 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.321 0.648 . . . . 53.4 109.383 176.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -57.45 -46.47 83.59 Favored 'General case' 0 C--O 1.21 -0.995 0 O-C-N 124.219 0.949 . . . . 62.44 111.149 177.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.461 HG22 ' OG1' ' A' ' 71' ' ' THR . 77.6 mt -64.99 -38.02 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 123.27 0.628 . . . . 73.12 111.573 -176.251 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.18 -46.7 66.88 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 122.558 0.343 . . . . 54.45 111.167 177.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 84.5 mt -65.8 -39.9 91.38 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.357 0.663 . . . . 71.1 110.776 -179.375 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.3 mt -69.77 -49.48 52.53 Favored 'General case' 0 C--O 1.212 -0.896 0 C-N-CA 123.774 0.83 . . . . 72.44 110.148 -178.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.8 p -60.83 -36.76 79.92 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 118.15 0.432 . . . . 60.31 110.922 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -65.22 -49.36 70.0 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.486 0.715 . . . . 71.01 111.315 176.366 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.405 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 59.5 m -59.56 -55.74 30.66 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.741 0.816 . . . . 73.41 110.628 179.134 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.572 HD13 ' HH2' ' A' 1008 ' ' TRP . 66.9 mt -58.7 -31.8 68.57 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.12 1.368 . . . . 71.11 111.574 179.26 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.6 tp -65.41 -50.17 66.49 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 122.609 0.364 . . . . 73.43 110.535 175.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.473 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 48.4 mt-10 -55.76 -48.57 75.03 Favored 'General case' 0 N--CA 1.482 1.151 0 O-C-N 124.308 1.005 . . . . 74.24 109.949 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.465 HD22 ' HG2' ' A' ' 29' ' ' GLU . 64.9 mt -59.23 -47.54 84.98 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 114.369 -1.287 . . . . 52.22 110.854 179.503 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.497 ' HB2' HD21 ' A' ' 33' ' ' LEU . . . -64.11 -36.41 83.95 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.408 0.683 . . . . 62.15 111.745 -178.771 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -67.39 -38.8 85.28 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.264 0.626 . . . . 54.5 110.493 176.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 25.7 mmm180 -79.02 -14.39 59.21 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.076 0.55 . . . . 75.04 111.826 -179.148 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.0 7.27 58.69 Favored Glycine 0 N--CA 1.476 1.343 0 O-C-N 123.003 0.189 . . . . 71.13 113.391 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.465 ' HG2' HD22 ' A' ' 24' ' ' LEU . 10.6 tp10 -76.39 95.22 3.77 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.434 1.094 . . . . 65.1 110.986 176.197 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 29.1 m95 -90.39 -30.28 17.49 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 123.492 0.717 . . . . 72.34 112.692 -177.365 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -64.88 -39.44 93.54 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.624 0.77 . . . . 71.35 111.637 -172.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.412 ' HB2' HD13 ' A' ' 24' ' ' LEU . 81.8 mt -74.72 -21.33 59.43 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 116.503 -0.317 . . . . 70.11 111.316 178.235 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.497 HD21 ' HB2' ' A' ' 25' ' ' ALA . 10.4 mp -69.92 -45.54 67.31 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 109.352 -0.61 . . . . 72.04 109.352 170.281 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.62 -31.84 73.13 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 124.0 0.812 . . . . 74.55 111.379 177.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -76.73 -52.84 8.85 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 120.968 0.413 . . . . 74.34 110.922 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.517 ' HB2' HD21 ' A' ' 21' ' ' LEU . 81.4 mt-30 -78.78 -9.94 59.61 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.941 0.896 . . . . 72.53 112.618 -176.355 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.487 ' HG3' ' HE3' ' A' 1008 ' ' TRP . 34.5 tt0 -44.43 -51.74 8.4 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.629 1.172 . . . . 51.14 112.127 175.003 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.3 p -56.7 -45.12 82.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 O-C-N 123.833 0.708 . . . . 73.55 111.622 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.1 m -70.88 -40.06 72.47 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.509 0.724 . . . . 73.33 112.06 -174.389 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -69.93 -49.79 48.49 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.383 0.673 . . . . 75.31 110.676 -177.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.9 mt -68.16 -31.41 70.94 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 123.845 0.716 . . . . 74.23 110.968 -179.269 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -66.73 -44.31 81.89 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.054 0.542 . . . . 73.2 110.656 175.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.445 ' HA ' HG22 ' A' ' 46' ' ' THR . 9.2 t -67.02 -38.63 86.28 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.314 0.646 . . . . 75.23 110.235 -178.696 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.8 mt -58.02 -50.72 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.807 1.243 . . . . 63.44 110.53 172.369 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -63.78 -42.19 97.8 Favored 'General case' 0 C--N 1.345 0.411 0 CA-C-N 115.163 -0.926 . . . . 74.34 110.598 -175.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.445 HG22 ' HA ' ' A' ' 43' ' ' SER . 14.3 t -79.02 -25.75 43.25 Favored 'General case' 0 CA--C 1.548 0.868 0 O-C-N 123.359 0.412 . . . . 72.55 111.95 -174.39 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.5 p -79.5 -32.99 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 CA-C-N 118.558 0.617 . . . . 44.44 110.697 175.056 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.7 ttm -75.94 -34.98 59.87 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.781 -0.645 . . . . 61.1 109.492 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 . . . . . 0 N--CA 1.47 0.555 0 CA-C-N 115.219 -0.901 . . . . 73.35 110.297 171.968 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 112.102 0.408 . . . . 63.32 112.102 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 -55.35 -30.78 60.95 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.393 1.077 . . . . 72.41 112.76 -176.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.1 m -66.45 -58.04 6.09 Favored 'General case' 0 C--O 1.248 1.002 0 C-N-CA 122.842 0.457 . . . . 73.33 111.19 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 62.6 mt -63.5 -42.56 96.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 115.502 -0.772 . . . . 74.53 109.329 -177.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -61.13 -39.94 91.94 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.791 0.836 . . . . 72.51 111.066 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -63.19 -52.91 60.4 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.161 0.585 . . . . 71.1 110.858 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 69.2 mtm -67.79 -49.52 61.94 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 115.448 -0.796 . . . . 73.25 111.594 -175.413 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.7 t -59.83 -48.01 89.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 123.832 0.853 . . . . 63.33 111.105 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.487 ' HA ' ' HB ' ' A' ' 68' ' ' ILE . . . -66.5 -27.64 67.94 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 123.204 0.315 . . . . 71.22 111.293 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.36 -53.24 47.23 Favored Glycine 0 C--N 1.352 1.468 0 N-CA-C 111.494 -0.642 . . . . 64.01 111.494 171.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.415 ' HE1' HG23 ' A' ' 8' ' ' ILE . 25.1 m-85 -60.17 -34.39 73.52 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 114.919 -0.64 . . . . 70.5 111.692 176.304 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.487 ' HB ' ' HA ' ' A' ' 65' ' ' ALA . 20.8 mt -64.26 -50.21 77.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.843 1.257 . . . . 64.32 111.044 179.726 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 74.0 mmtt -66.37 -40.77 89.94 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 120.64 0.257 . . . . 73.21 110.51 -178.443 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -61.57 -50.59 72.0 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.427 -0.806 . . . . 75.11 110.915 177.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.461 ' OG1' HG22 ' A' ' 14' ' ' ILE . 6.3 t -73.68 -34.85 65.08 Favored 'General case' 0 C--O 1.213 -0.851 0 CA-C-O 119.236 -0.411 . . . . 63.14 111.827 -173.365 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.445 HD21 ' SD ' ' A' 1019 ' ' MET . 43.6 mt -67.66 -40.73 84.47 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 117.964 0.347 . . . . 75.11 110.645 177.237 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -63.53 -50.77 68.25 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.952 0.501 . . . . 74.42 110.807 176.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.429 HD22 ' N ' ' A' ' 74' ' ' ASN . 0.8 OUTLIER -73.11 -32.97 65.28 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 115.078 -0.965 . . . . 43.02 111.343 -172.275 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.448 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 30.1 tt0 -79.67 -28.42 40.74 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 122.975 0.51 . . . . 72.0 110.479 176.688 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -65.69 -39.56 91.39 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-O 121.205 0.526 . . . . 62.21 109.799 172.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.1 mt -69.25 -39.43 78.49 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 115.163 -0.926 . . . . 75.35 110.9 174.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.448 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 20.3 mt -60.07 -48.75 80.4 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.353 0.661 . . . . 73.41 110.922 172.639 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -65.59 -43.88 88.33 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.515 1.126 . . . . 62.5 109.98 -173.153 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.35 -50.62 55.0 Favored Glycine 0 C--N 1.345 1.049 0 CA-C-N 115.024 -0.989 . . . . 74.33 112.583 177.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.401 HD22 ' HB1' ' A' ' 25' ' ' ALA . 10.1 tt -61.71 -46.6 88.98 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.704 0.802 . . . . 65.21 111.041 -177.512 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.401 ' HB2' HD21 ' A' 1009 ' ' LEU . 39.5 mt -76.67 -35.59 57.83 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.632 0.773 . . . . 74.13 111.801 -172.602 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 26.1 tp60 -67.89 -43.55 79.06 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 109.553 -0.536 . . . . 61.22 109.553 175.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.3 tm0? -58.81 -45.44 89.95 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.652 1.181 . . . . 72.22 110.52 175.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.8 -55.77 13.4 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 115.271 -0.877 . . . . 71.15 109.884 -174.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.484 HD11 ' HB3' ' A' 1005 ' ' LEU . 94.9 mt -60.79 -31.32 70.7 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.994 0.918 . . . . 74.12 111.693 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -60.4 -54.78 41.46 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.944 0.897 . . . . 74.14 109.88 175.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -64.33 -41.19 96.91 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 115.156 -0.929 . . . . 74.14 111.36 178.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 85.0 mt -58.56 -43.38 89.35 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.113 0.965 . . . . 73.21 110.703 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 67.4 m . . . . . 0 N--CA 1.476 0.861 0 C-N-CA 122.969 0.507 . . . . 72.41 111.017 177.164 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 52.3 ttp . . . . . 0 N--CA 1.474 0.754 0 CA-C-O 120.372 0.13 . . . . 73.22 110.725 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 28.2 p -66.07 -47.72 73.35 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 123.576 0.548 . . . . 61.41 111.979 -176.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 65.2 p -70.11 -35.54 74.19 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 111.797 0.295 . . . . 74.43 111.797 -176.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 57.1 mtt-85 -63.92 -46.84 82.98 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.521 0.328 . . . . 74.13 110.154 174.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1005 ' ' LEU . . . . . 0.546 ' HA ' ' HB3' ' A' 1008 ' ' TRP . 41.8 mt -73.55 -28.21 61.74 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.625 0.602 . . . . 72.51 112.625 -177.263 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 35.0 p -73.25 -41.73 63.35 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 118.775 0.716 . . . . 74.42 109.733 175.375 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 56.1 ttt180 -64.88 -33.77 76.81 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.236 0.541 . . . . 75.53 110.154 174.014 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1008 ' ' TRP . . . . . 0.572 ' HH2' HD13 ' A' ' 21' ' ' LEU . 1.3 t-105 -62.96 -50.76 69.5 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.436 1.094 . . . . 75.14 109.982 175.043 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1009 ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' 1005 ' ' LEU . 98.7 mt -63.14 -37.84 88.81 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.272 0.629 . . . . 74.54 111.826 -177.282 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 13.4 t -76.24 -27.04 56.62 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 122.483 -0.136 . . . . 63.44 110.834 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -73.26 -30.58 63.54 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 122.57 0.348 . . . . 62.24 110.668 173.014 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1012 ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' 1008 ' ' TRP . 26.9 mt -68.3 -42.91 78.76 Favored 'General case' 0 C--N 1.356 0.854 0 C-N-CA 123.34 0.656 . . . . 72.43 109.3 174.219 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 29.6 t70 -66.21 -39.88 89.96 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.478 -0.783 . . . . 62.34 111.289 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 46.9 t30 -62.95 -46.12 89.24 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.487 0.715 . . . . 75.4 109.628 178.179 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 56.6 t80 -57.49 -62.5 1.74 Allowed 'General case' 0 C--N 1.357 0.904 0 O-C-N 123.943 0.777 . . . . 72.31 110.407 174.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -44.36 -53.62 6.61 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 126.267 1.827 . . . . 73.33 112.492 -177.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -68.96 -52.63 26.97 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.338 -0.846 . . . . 70.23 111.557 -176.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -63.38 -35.63 81.05 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 121.428 0.632 . . . . 73.14 111.279 -177.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1019 ' ' MET . . . . . 0.635 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.3 OUTLIER -80.77 -24.45 38.63 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.168 -0.469 . . . . 72.34 110.957 -176.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -69.22 -31.92 70.82 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.912 -0.403 . . . . 63.41 109.912 168.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 96.6 mt -71.99 -29.84 64.63 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 118.52 -0.752 . . . . 75.11 112.254 176.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1022 ' ' LEU . . . . . 0.635 ' HG ' ' HA ' ' A' 1019 ' ' MET . 85.7 mt . . . . . 0 N--CA 1.503 2.18 0 O-C-N 123.67 0.606 . . . . 74.22 111.957 174.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.4 m . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 119.787 -0.149 . . . . 72.53 110.836 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 m -51.85 -46.89 64.58 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.003 0.921 . . . . 71.21 111.477 177.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 48.5 m -56.87 -58.92 6.04 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 114.203 -1.362 . . . . 73.24 111.662 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.2 t -62.27 -54.71 30.69 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.799 0 CA-C-N 115.486 -0.779 . . . . 71.21 109.817 -175.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -48.9 -51.38 30.29 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.77 0.828 . . . . 73.53 112.82 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -67.43 -54.01 24.04 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 115.496 -0.775 . . . . 73.31 111.623 -174.246 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.576 HD11 HG12 ' A' ' 60' ' ' ILE . 95.9 mt -63.84 -39.05 84.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 115.076 -0.965 . . . . 71.14 111.043 -177.432 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.505 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 4.5 m-20 -69.53 -40.02 77.16 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.301 0.64 . . . . 70.51 110.52 -178.158 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.481 ' HD3' ' HA ' ' A' ' 47' ' ' VAL . 70.1 mtt85 -61.37 -54.17 47.21 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 123.538 0.524 . . . . 74.45 110.666 174.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -58.51 -33.11 69.48 Favored 'General case' 0 N--CA 1.484 1.229 0 O-C-N 123.656 0.598 . . . . 62.05 111.977 177.044 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.414 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 62.8 tt0 -63.07 -46.01 89.47 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.193 0.997 . . . . 71.22 109.905 176.028 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 71.1 mmt-85 -60.51 -46.02 91.67 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 123.727 0.642 . . . . 74.22 109.966 177.412 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 10' ' ' ARG . 64.3 mt -62.68 -39.24 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.038 0.935 . . . . 73.33 111.215 -176.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.47 -43.76 69.11 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 122.851 0.46 . . . . 73.24 111.047 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 96.0 mt -61.11 -45.9 92.8 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.77 0.828 . . . . 72.3 110.133 177.303 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 71.9 mt -65.53 -50.23 65.99 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-N 115.171 -0.922 . . . . 71.22 110.151 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.7 p -64.14 -37.65 88.22 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 112.43 0.53 . . . . 65.2 112.43 -175.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.44 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 2.9 pt20 -71.77 -41.43 68.37 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 123.101 0.25 . . . . 74.11 110.414 178.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.514 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 66.6 m -60.5 -46.11 91.31 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 123.535 0.522 . . . . 72.45 110.305 175.405 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.585 HD13 ' HH2' ' A' 1008 ' ' TRP . 61.8 mt -64.89 -35.26 80.56 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.63 1.172 . . . . 61.02 110.576 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.0 tp -63.59 -42.69 98.25 Favored 'General case' 0 C--N 1.347 0.495 0 N-CA-C 109.577 -0.527 . . . . 75.14 109.577 177.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.46 ' O ' ' HD3' ' A' ' 27' ' ' ARG . 6.0 mm-40 -61.8 -45.59 93.19 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 123.498 0.499 . . . . 71.35 110.945 176.06 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 20' ' ' SER . 60.6 mt -61.7 -42.25 98.69 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.798 0.839 . . . . 62.34 111.125 -179.155 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.455 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -71.59 -41.55 68.82 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.333 0.653 . . . . 72.43 111.71 -177.148 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -67.43 -35.05 78.47 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.497 -0.774 . . . . 73.23 111.338 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.46 ' HD3' ' O ' ' A' ' 23' ' ' GLU . 6.7 mpt_? -88.22 -21.56 24.46 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 122.638 0.375 . . . . 60.53 111.423 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.33 20.17 18.63 Favored Glycine 0 C--N 1.35 1.312 0 N-CA-C 115.553 0.981 . . . . 74.32 115.553 177.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -79.39 74.82 6.0 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-N 117.832 0.816 . . . . 64.13 109.808 166.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.403 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 33.5 m95 -68.47 -30.24 69.06 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.646 0.779 . . . . 75.4 109.849 178.561 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -59.69 -49.9 75.95 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 114.095 -1.411 . . . . 71.14 110.344 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.7 mt -75.37 -19.23 59.69 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 115.043 -0.981 . . . . 73.04 110.954 -177.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.74 -50.1 68.2 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 109.476 -0.564 . . . . 71.55 109.476 167.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 30' ' ' TRP . 73.4 mt -68.39 -23.01 64.6 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 123.897 0.748 . . . . 73.41 111.741 -179.303 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -72.82 -59.06 2.89 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.48 0.712 . . . . 74.54 110.5 175.261 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -75.93 -11.16 59.91 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.0 0.52 . . . . 63.33 112.009 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.404 ' HG3' ' CE3' ' A' 1008 ' ' TRP . 35.5 tt0 -45.43 -59.58 2.62 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.166 1.387 . . . . 64.14 112.67 178.323 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.5 m -60.72 -33.93 56.94 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 O-C-N 123.999 0.812 . . . . 53.35 111.669 -176.013 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.9 m -69.66 -39.52 76.99 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.946 0.899 . . . . 73.45 110.779 178.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -71.69 -44.6 63.94 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.516 -0.765 . . . . 71.35 110.448 -177.11 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 67.3 mt -71.26 -29.36 65.0 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.267 0.627 . . . . 73.12 110.696 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -66.75 -50.04 64.0 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 116.239 -0.437 . . . . 73.22 110.748 173.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.488 ' HA ' HG22 ' A' ' 46' ' ' THR . 66.2 p -64.21 -36.94 85.71 Favored 'General case' 0 CA--C 1.551 0.995 0 O-C-N 123.84 0.713 . . . . 55.52 110.751 -177.627 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.2 mt -57.58 -53.28 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 124.602 1.161 . . . . 72.43 110.858 171.188 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -63.93 -43.99 94.22 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.862 -0.608 . . . . 73.03 111.147 -174.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.488 HG22 ' HA ' ' A' ' 43' ' ' SER . 14.2 t -73.54 -29.75 62.65 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.334 0.653 . . . . 60.21 110.929 -175.625 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.481 ' HA ' ' HD3' ' A' ' 10' ' ' ARG . 2.3 p -78.45 -33.1 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 CA-C-N 118.122 0.419 . . . . 71.02 111.208 177.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 34.5 ttm -74.04 -29.49 61.94 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 109.191 -0.67 . . . . 73.32 109.191 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 . . . . . 0 CA--C 1.55 0.975 0 CA-C-N 115.709 -0.678 . . . . 72.21 110.385 167.31 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 C--O 1.244 0.785 0 CA-C-O 120.366 0.127 . . . . 45.02 110.825 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.1 mtp-105 -66.51 -21.46 66.17 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 112.657 0.614 . . . . 55.43 112.657 -172.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 64.5 p -67.45 -51.29 53.29 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 122.751 0.421 . . . . 71.31 109.949 177.178 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.576 HG12 HD11 ' A' ' 8' ' ' ILE . 57.0 mt -58.23 -51.23 73.72 Favored 'Isoleucine or valine' 0 C--N 1.362 1.115 0 O-C-N 123.865 0.728 . . . . 73.43 109.308 174.58 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -55.61 -41.33 73.31 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 124.302 1.002 . . . . 52.04 111.529 -176.333 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -73.39 -50.94 19.22 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.288 0.635 . . . . 64.34 111.52 -176.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 73.5 mtm -62.92 -45.81 90.75 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.559 0.343 . . . . 72.13 110.681 -178.267 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.0 t -62.81 -45.58 98.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 123.876 0.87 . . . . 73.44 111.036 177.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.26 -24.61 67.36 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-N 117.893 0.315 . . . . 55.45 111.245 177.541 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.59 -44.3 50.01 Favored Glycine 0 C--N 1.348 1.244 0 N-CA-C 111.308 -0.717 . . . . 63.14 111.308 173.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -69.05 -33.48 73.66 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.288 0.635 . . . . 73.12 111.042 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 22.3 mt -68.95 -47.77 73.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 124.681 1.193 . . . . 75.35 109.562 178.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -66.23 -40.28 90.16 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.035 -0.53 . . . . 75.23 109.952 -178.403 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -60.81 -53.51 56.42 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 124.449 1.093 . . . . 74.45 109.416 177.366 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.454 ' OG1' HG22 ' A' ' 14' ' ' ILE . 5.3 t -71.52 -33.66 69.4 Favored 'General case' 0 C--O 1.207 -1.161 0 CA-C-O 118.761 -0.637 . . . . 75.22 112.336 -172.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.441 HD21 ' SD ' ' A' 1019 ' ' MET . 34.0 mt -72.05 -39.4 69.09 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 118.291 0.496 . . . . 75.53 110.836 178.793 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -68.34 -46.06 71.2 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-O 121.498 0.666 . . . . 64.14 110.472 179.006 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.436 HD22 ' N ' ' A' ' 74' ' ' ASN . 0.8 OUTLIER -72.14 -38.01 69.3 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 114.843 -1.071 . . . . 73.01 110.607 -176.613 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.435 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 34.9 tt0 -71.66 -31.82 67.23 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 123.798 0.686 . . . . 51.52 110.332 175.31 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -58.17 -53.99 52.02 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 109.073 -0.714 . . . . 71.23 109.073 174.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.8 mt -60.46 -40.74 92.28 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.594 -1.185 . . . . 74.03 111.151 177.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.435 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 21.2 mt -56.1 -60.43 3.49 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.757 0.823 . . . . 65.01 111.554 174.443 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -70.49 -28.31 64.88 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.56 0.744 . . . . 74.21 111.597 -168.317 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.78 -47.64 19.54 Favored Glycine 0 C--N 1.349 1.282 0 O-C-N 123.578 0.549 . . . . 71.54 111.941 174.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.455 HD22 ' HB1' ' A' ' 25' ' ' ALA . 7.2 tt -58.27 -47.7 82.79 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.828 0.851 . . . . 72.41 110.283 176.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.469 HD13 ' HE1' ' A' 1008 ' ' TRP . 41.5 mt -72.25 -31.87 66.18 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.826 1.25 . . . . 74.11 111.489 -176.716 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -61.15 -53.73 53.33 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 109.867 -0.42 . . . . 63.13 109.867 173.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.404 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 60.9 tt0 -68.98 -32.48 72.08 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.217 -0.901 . . . . 71.15 111.144 -178.263 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.42 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 27.4 tpt180 -70.23 -47.08 63.0 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.713 0.405 . . . . 75.1 109.933 -179.251 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.538 HD11 ' HB3' ' A' 1005 ' ' LEU . 83.6 mt -63.54 -32.0 73.34 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 123.461 0.476 . . . . 71.22 110.663 175.468 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -62.23 -44.18 97.16 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.199 0.6 . . . . 71.3 110.352 174.492 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 84' ' ' GLN . 46.3 mt-10 -60.27 -55.97 27.27 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.563 0.745 . . . . 72.52 110.204 175.579 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.504 HD12 HD23 ' A' ' 86' ' ' LEU . 74.0 mt -54.42 -44.01 72.04 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.686 1.195 . . . . 64.41 111.141 -178.66 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 70.4 m . . . . . 0 N--CA 1.475 0.786 0 C-N-CA 123.554 0.742 . . . . 65.42 111.595 179.21 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 50.1 ttp . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 112.318 0.488 . . . . 72.44 112.318 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 33.7 p -71.53 -48.21 50.17 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 118.898 -0.572 . . . . 62.51 111.51 -174.118 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 5.4 t -63.22 -43.14 98.95 Favored 'General case' 0 C--N 1.359 1.014 0 CA-C-N 118.248 0.476 . . . . 75.24 110.047 -177.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 71.3 mtt-85 -60.82 -57.02 14.42 Favored 'General case' 0 C--N 1.357 0.899 0 CA-C-N 115.567 -0.742 . . . . 71.1 110.376 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1005 ' ' LEU . . . . . 0.6 ' HA ' ' HB3' ' A' 1008 ' ' TRP . 72.4 mt -67.27 -26.12 66.4 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.062 0.764 . . . . 62.25 113.062 -174.39 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 42.2 p -71.63 -48.95 44.47 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 118.951 0.796 . . . . 72.22 110.103 174.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 34.8 mtt180 -61.5 -31.73 71.72 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-O 121.179 0.514 . . . . 65.32 110.373 175.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1008 ' ' TRP . . . . . 0.6 ' HB3' ' HA ' ' A' 1005 ' ' LEU . 4.1 t-105 -70.32 -45.81 65.47 Favored 'General case' 0 C--O 1.218 -0.597 0 C-N-CA 125.235 1.414 . . . . 73.11 111.055 -178.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1009 ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' 1005 ' ' LEU . 71.5 mt -71.05 -34.5 71.29 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 109.062 -0.718 . . . . 64.32 109.062 -177.458 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 84.5 m -59.62 -44.23 93.53 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 114.837 -1.074 . . . . 63.3 110.469 169.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -71.77 -28.95 63.97 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.701 0.8 . . . . 42.03 111.858 -178.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1012 ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' 1008 ' ' TRP . 22.8 mt -73.14 -41.09 64.34 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 109.267 -0.642 . . . . 73.4 109.267 178.418 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 29.2 t70 -73.98 -31.72 63.11 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 115.543 -0.753 . . . . 72.12 110.391 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 54.8 t30 -65.14 -46.42 81.02 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.021 0.928 . . . . 63.3 109.557 175.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 47.5 t80 -57.6 -62.02 2.09 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 114.699 -1.137 . . . . 74.34 110.188 174.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -49.62 -42.98 46.32 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 124.682 1.239 . . . . 75.02 111.847 -178.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -64.61 -63.4 1.14 Allowed 'General case' 0 C--N 1.348 0.528 0 O-C-N 123.816 0.697 . . . . 73.13 111.285 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 14.6 mptt -61.91 -34.03 75.32 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.579 0.352 . . . . 74.45 111.575 -176.058 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1019 ' ' MET . . . . . 0.625 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.1 OUTLIER -78.83 -32.25 46.1 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.486 -0.324 . . . . 75.33 110.528 -173.508 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -70.76 -31.1 67.78 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 120.842 0.354 . . . . 74.11 110.521 170.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 95.5 mt -82.6 -14.4 54.86 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-O 118.279 -0.867 . . . . 74.32 112.169 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1022 ' ' LEU . . . . . 0.625 ' HG ' ' HA ' ' A' 1019 ' ' MET . 45.4 mt . . . . . 0 N--CA 1.502 2.144 0 C-N-CA 123.57 0.748 . . . . 75.21 111.711 176.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 N--CA 1.474 0.759 0 CA-C-O 119.741 -0.171 . . . . 72.35 110.72 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.8 m -61.71 -35.1 77.08 Favored 'General case' 0 C--N 1.349 0.572 0 C-N-CA 123.267 0.627 . . . . 64.42 110.751 -178.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.9 m -61.82 -58.92 6.11 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.407 1.083 . . . . 43.04 111.57 176.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.7 p -64.33 -37.96 81.31 Favored 'Isoleucine or valine' 0 C--N 1.358 0.962 0 O-C-N 123.273 0.358 . . . . 75.24 110.78 -174.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -61.96 -59.25 5.39 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 109.431 -0.581 . . . . 74.31 109.431 177.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -48.62 -49.55 36.59 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.889 1.275 . . . . 74.34 111.724 -176.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.543 HD11 HG12 ' A' ' 60' ' ' ILE . 75.7 mt -69.46 -42.61 80.98 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.974 0 CA-C-N 115.341 -0.845 . . . . 73.51 111.45 -177.628 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -72.62 -24.93 61.13 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 122.772 0.429 . . . . 73.1 111.732 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -77.36 -49.7 14.36 Favored 'General case' 0 C--O 1.219 -0.512 0 N-CA-C 108.657 -0.868 . . . . 74.14 108.657 178.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 53.8 m95 -58.32 -38.28 76.8 Favored 'General case' 0 N--CA 1.485 1.29 0 O-C-N 123.522 0.514 . . . . 73.51 110.99 173.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.414 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 62.8 tt0 -61.0 -50.58 72.82 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 123.987 0.805 . . . . 74.21 109.929 176.075 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -57.36 -44.15 84.1 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 124.466 1.104 . . . . 73.13 111.22 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 84.3 mt -69.13 -36.73 74.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.338 1.055 . . . . 73.03 110.647 -178.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.1 -43.92 90.53 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.026 0.53 . . . . 43.34 110.465 177.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 95.8 mt -63.92 -47.51 80.24 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 124.513 1.125 . . . . 72.45 110.351 178.253 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.5 mt -63.25 -42.79 99.21 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.702 0.801 . . . . 71.15 110.645 178.234 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.7 t -66.38 -45.85 78.65 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.226 0.611 . . . . 65.44 110.787 -174.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -70.81 -35.24 72.42 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 123.456 0.472 . . . . 73.23 110.825 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.2 m -62.4 -54.81 34.79 Favored 'General case' 0 C--N 1.36 1.033 0 O-C-N 123.365 0.416 . . . . 73.13 110.045 176.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.675 HD21 ' HB2' ' A' ' 36' ' ' GLN . 93.6 mt -59.28 -32.22 69.82 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.718 1.207 . . . . 73.4 111.225 179.441 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.55 HD22 ' HA ' ' A' ' 74' ' ' ASN . 57.6 tp -66.3 -52.19 49.86 Favored 'General case' 0 C--N 1.35 0.587 0 C-N-CA 123.054 0.541 . . . . 51.43 111.109 176.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.507 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 32.6 mt-10 -55.61 -48.77 74.35 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 124.265 0.978 . . . . 72.12 109.751 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.553 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 93.4 mt -63.69 -35.91 82.11 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 114.275 -1.33 . . . . 72.35 111.402 -178.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.559 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -63.91 -43.28 96.44 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.113 0.565 . . . . 73.23 110.551 175.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -70.79 -22.38 62.37 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 114.961 -1.018 . . . . 74.13 111.739 176.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 29.3 mmt180 -84.54 -25.87 28.45 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.898 0.479 . . . . 74.03 111.004 174.294 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.21 18.44 36.51 Favored Glycine 0 C--N 1.351 1.416 0 N-CA-C 113.891 0.316 . . . . 72.25 113.891 -175.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.553 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 20.3 mm-40 -82.04 67.7 8.15 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.434 1.094 . . . . 72.3 110.779 177.206 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.4 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 40.8 m95 -66.33 -33.42 75.69 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.352 0.661 . . . . 73.45 111.701 -172.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -64.62 -40.53 95.64 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.55 0.74 . . . . 72.25 111.033 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.404 HD12 HD22 ' A' ' 24' ' ' LEU . 62.9 mt -67.57 -33.02 74.18 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 122.607 0.363 . . . . 63.11 110.549 178.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.642 ' HA ' HD22 ' A' ' 21' ' ' LEU . 11.2 mp -61.9 -48.8 78.83 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.926 0.49 . . . . 42.42 111.129 169.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.401 HD13 HH11 ' A' 1004 ' ' ARG . 93.9 mt -67.39 -26.49 66.48 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.481 0.712 . . . . 63.25 112.037 -178.079 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -76.09 -58.12 3.47 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.682 0.793 . . . . 72.43 110.416 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.675 ' HB2' HD21 ' A' ' 21' ' ' LEU . 69.7 mt-30 -76.06 -10.0 59.06 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.419 1.088 . . . . 75.01 111.907 -178.362 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.413 ' HG3' ' CE3' ' A' 1008 ' ' TRP . 35.2 tt0 -44.92 -54.56 6.35 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.848 1.259 . . . . 71.34 111.779 171.434 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.2 p -57.84 -47.31 86.48 Favored 'Isoleucine or valine' 0 C--N 1.355 0.845 0 O-C-N 123.855 0.722 . . . . 70.25 110.761 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.8 m -61.8 -40.13 94.17 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.408 0.683 . . . . 72.35 111.508 -177.373 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -70.8 -49.2 49.02 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.132 0.973 . . . . 72.53 110.902 -176.233 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.2 mt -69.9 -33.98 72.91 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.014 0.525 . . . . 75.12 111.334 -176.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -72.3 -40.83 67.24 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 119.102 -0.475 . . . . 73.32 110.913 177.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 77.7 p -66.98 -35.75 80.66 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 122.595 0.358 . . . . 60.55 111.096 177.045 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.6 mt -57.8 -51.97 63.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 124.829 1.252 . . . . 73.44 110.518 171.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -63.88 -35.71 81.54 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 114.547 -1.206 . . . . 73.03 109.531 -177.092 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.99 -40.84 68.28 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.967 1.707 . . . . 71.43 112.453 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.3 p -75.46 -33.58 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 O-C-N 122.019 -0.426 . . . . 65.55 109.858 -177.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 35.4 ttm -73.96 -33.21 63.8 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.721 -0.672 . . . . 43.42 109.263 178.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 . . . . . 0 N--CA 1.477 0.919 0 C-N-CA 123.701 0.8 . . . . 71.02 111.194 171.929 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 119.277 -0.392 . . . . 74.14 111.172 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -42.89 -63.68 0.75 Allowed 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.941 1.696 . . . . 72.51 113.322 -173.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.3 m -64.74 -45.64 85.62 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 124.034 0.834 . . . . 74.24 111.742 -172.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.543 HG12 HD11 ' A' ' 8' ' ' ILE . 36.5 mt -60.77 -51.82 68.77 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 O-C-N 123.554 0.533 . . . . 65.52 109.925 -177.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -57.54 -49.69 75.54 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.513 0.725 . . . . 74.43 111.116 -178.294 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -64.95 -54.3 32.81 Favored 'General case' 0 C--O 1.248 0.981 0 O-C-N 123.879 0.737 . . . . 72.44 111.866 -174.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 73.9 mtm -61.85 -52.08 65.6 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.149 0.58 . . . . 73.04 111.064 -177.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.3 t -59.39 -44.92 93.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 123.333 0.653 . . . . 71.42 111.159 -179.138 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.47 -35.98 79.16 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 123.344 0.402 . . . . 64.34 111.253 178.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.71 -44.06 98.06 Favored Glycine 0 C--N 1.355 1.627 0 O-C-N 123.363 0.415 . . . . 74.53 112.301 173.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -70.12 -25.97 63.74 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.592 0.757 . . . . 54.12 111.375 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.497 HG12 ' HE1' ' A' 1019 ' ' MET . 30.6 mt -71.86 -45.69 63.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.389 1.076 . . . . 75.04 109.856 176.309 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -59.05 -42.43 90.3 Favored 'General case' 0 C--O 1.244 0.813 0 O-C-N 123.691 0.619 . . . . 73.22 110.078 175.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -59.17 -62.44 1.88 Allowed 'General case' 0 C--N 1.352 0.706 0 O-C-N 124.293 0.996 . . . . 61.11 110.489 176.16 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.8 t -63.67 -37.24 86.6 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 112.206 0.447 . . . . 51.32 112.206 -169.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.448 HD21 ' SD ' ' A' 1019 ' ' MET . 66.9 mt -75.75 -40.48 55.31 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 112.968 0.729 . . . . 74.02 112.968 -178.546 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -73.78 -40.89 63.11 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-N 118.511 0.596 . . . . 70.11 110.931 178.028 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.55 ' HA ' HD22 ' A' ' 22' ' ' LEU . 13.3 m120 -64.32 -37.77 88.67 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.207 0.603 . . . . 73.11 110.239 177.051 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.498 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 16.3 tt0 -72.3 -35.71 68.75 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 123.423 0.452 . . . . 64.03 111.144 175.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -57.64 -48.24 80.0 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 121.637 0.732 . . . . 74.32 109.459 177.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.8 mt -70.74 -38.81 73.56 Favored 'General case' 0 CA--C 1.554 1.121 0 CA-C-N 114.134 -1.393 . . . . 74.41 111.372 178.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.498 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 5.0 mt -57.56 -61.59 2.4 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 124.083 0.953 . . . . 62.5 110.395 176.117 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.443 ' HG3' HD22 ' A' 1009 ' ' LEU . 33.9 ttpt -63.95 -35.64 81.33 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.803 1.641 . . . . 53.25 111.582 -174.515 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.73 -51.54 52.99 Favored Glycine 0 C--N 1.351 1.394 0 O-C-N 123.409 0.443 . . . . 73.03 112.129 173.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.559 HD22 ' HB1' ' A' ' 25' ' ' ALA . 9.7 tt -62.86 -42.38 99.73 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.217 1.007 . . . . 70.23 111.08 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.434 HD13 ' HE1' ' A' 1008 ' ' TRP . 23.2 mt -74.06 -36.8 64.38 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.928 0.891 . . . . 73.21 111.302 -174.329 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.3 tm0? -61.62 -45.08 95.59 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 123.695 0.622 . . . . 63.54 109.524 172.367 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -61.09 -39.71 90.99 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.144 -0.935 . . . . 63.11 110.756 176.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -73.42 -35.78 65.87 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.501 0.72 . . . . 65.24 112.208 -177.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.1 mt -72.92 -36.07 67.17 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 110.082 -0.34 . . . . 64.4 110.082 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -66.86 -38.85 87.16 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 123.724 0.64 . . . . 54.04 110.658 173.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -64.09 -47.94 78.09 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.592 0.757 . . . . 65.31 110.277 176.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 68.9 mt -56.63 -40.94 76.27 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.2 1.0 . . . . 74.31 110.817 177.038 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 70.8 m . . . . . 0 N--CA 1.474 0.757 0 C-N-CA 123.528 0.731 . . . . 64.44 111.23 176.04 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 50.5 ttp . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 112.343 0.497 . . . . 64.21 112.343 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 36.1 p -67.47 -55.14 14.8 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.056 0.542 . . . . 72.45 111.642 -175.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 33.0 m -60.4 -44.85 95.29 Favored 'General case' 0 CA--C 1.549 0.94 0 O-C-N 123.462 0.476 . . . . 73.21 110.932 -175.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1004 ' ' ARG . . . . . 0.401 HH11 HD13 ' A' ' 34' ' ' LEU . 56.8 mtt85 -57.77 -61.65 2.37 Favored 'General case' 0 C--N 1.354 0.785 0 O-C-N 124.102 0.876 . . . . 44.51 110.415 177.192 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1005 ' ' LEU . . . . . 0.541 ' O ' ' HG ' ' A' 1009 ' ' LEU . 63.5 mt -61.4 -36.91 81.62 Favored 'General case' 0 C--N 1.362 1.126 0 O-C-N 124.015 0.822 . . . . 62.21 112.761 -173.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 44.4 p -66.02 -49.87 66.2 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 118.231 0.469 . . . . 73.11 110.88 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 74.7 mtp85 -67.1 -25.45 66.22 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-O 120.8 0.333 . . . . 72.01 111.079 177.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1008 ' ' TRP . . . . . 0.507 ' O ' ' HG ' ' A' 1012 ' ' LEU . 0.1 OUTLIER -71.31 -42.6 68.43 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.619 1.167 . . . . 73.42 109.673 176.639 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1009 ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' 1005 ' ' LEU . 89.4 mt -69.43 -33.06 72.4 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.765 -0.828 . . . . 60.52 108.765 -178.64 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 71.5 m -63.63 -44.48 93.77 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 114.735 -1.121 . . . . 73.31 111.288 173.236 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -70.32 -24.74 63.06 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.365 0.666 . . . . 63.42 111.284 176.305 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1012 ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' 1008 ' ' TRP . 31.6 mt -71.88 -45.65 60.58 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 123.172 0.589 . . . . 72.42 110.154 175.471 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -64.55 -36.35 83.92 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.147 0.579 . . . . 60.55 111.04 176.544 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 6.1 t30 -57.66 -54.15 50.18 Favored 'General case' 0 C--O 1.246 0.906 0 C-N-CA 124.55 1.14 . . . . 71.34 110.272 174.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 41.1 t80 -60.56 -61.92 2.24 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 114.559 -1.201 . . . . 64.13 110.55 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -43.22 -51.69 5.99 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 124.851 1.344 . . . . 65.14 112.128 178.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1017 ' ' ALA . . . . . 0.42 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -59.96 -61.81 2.33 Favored 'General case' 0 C--N 1.352 0.675 0 O-C-N 124.052 0.845 . . . . 73.12 111.284 -178.358 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -64.87 -35.37 80.9 Favored 'General case' 0 C--O 1.247 0.967 0 O-C-N 123.541 0.526 . . . . 73.04 112.299 -172.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1019 ' ' MET . . . . . 0.557 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.2 OUTLIER -81.48 -26.28 35.35 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 116.528 -0.305 . . . . 63.5 111.264 -175.08 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -77.06 -25.39 52.34 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 110.135 -0.32 . . . . 64.54 110.135 171.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1021 ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' 1017 ' ' ALA . 76.2 mt -83.06 -12.02 57.51 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 115.902 -0.59 . . . . 74.44 111.952 175.094 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1022 ' ' LEU . . . . . 0.557 ' HG ' ' HA ' ' A' 1019 ' ' MET . 93.7 mt . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 119.291 -0.385 . . . . 74.32 110.326 163.011 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.416 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 15.3 t . . . . . 0 N--CA 1.481 1.1 0 N-CA-C 112.102 0.408 . . . . 62.12 112.102 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.5 m -65.58 -38.62 90.03 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.597 0.759 . . . . 73.53 110.648 178.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 52.2 m -64.45 -44.37 91.32 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 124.575 1.15 . . . . 55.11 111.107 175.281 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 89.6 t -65.91 -44.73 92.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 122.737 0.415 . . . . 51.35 110.085 -178.159 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 2' ' ' THR . 30.5 mm-40 -58.28 -49.79 75.91 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 123.303 0.377 . . . . 74.0 110.177 175.248 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -54.21 -59.16 5.04 Favored 'General case' 0 CA--C 1.557 1.237 0 C-N-CA 124.389 1.076 . . . . 74.22 111.495 -177.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 71.9 mt -63.24 -42.32 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 124.362 1.065 . . . . 51.43 111.44 -176.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -73.79 -29.39 62.16 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 122.94 0.496 . . . . 75.33 111.907 -175.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.5 ' O ' HG13 ' A' ' 14' ' ' ILE . 85.8 mtt180 -74.46 -41.87 60.05 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 109.607 -0.516 . . . . 72.32 109.607 176.05 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 67.3 m95 -62.94 -39.28 94.15 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 123.238 0.336 . . . . 75.5 111.112 174.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -61.54 -44.06 97.73 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.812 0.845 . . . . 73.03 109.837 174.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -60.82 -43.54 98.1 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.252 1.021 . . . . 71.3 110.781 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.546 HG22 ' OG1' ' A' ' 71' ' ' THR . 79.5 mt -70.06 -38.55 75.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 123.696 0.798 . . . . 64.24 110.651 -178.355 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.47 -46.81 81.48 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.131 0.572 . . . . 63.32 110.901 177.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.52 -45.29 93.67 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.358 -0.837 . . . . 74.12 110.814 177.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.481 HD13 ' HA ' ' A' ' 40' ' ' TYR . 31.1 mt -60.68 -52.3 65.71 Favored 'General case' 0 C--O 1.213 -0.834 0 CA-C-N 116.05 -0.523 . . . . 74.53 110.41 179.34 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.6 p -63.15 -42.12 99.39 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.347 0.659 . . . . 63.41 112.314 -174.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.436 ' O ' ' HG3' ' A' ' 23' ' ' GLU . 13.8 pt20 -67.28 -40.55 86.14 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 123.413 0.446 . . . . 71.12 110.728 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.7 m -61.74 -50.45 72.36 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 123.468 0.48 . . . . 75.31 110.212 176.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.557 ' HA ' HD12 ' A' ' 24' ' ' LEU . 62.7 mt -58.6 -35.57 72.65 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.834 1.254 . . . . 73.44 111.024 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.8 tp -65.61 -51.45 59.58 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 123.7 0.625 . . . . 74.41 110.357 178.071 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 19' ' ' GLN . 44.1 mt-10 -59.82 -37.69 79.9 Favored 'General case' 0 N--CA 1.484 1.238 0 O-C-N 124.13 0.894 . . . . 75.41 111.001 -179.091 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.564 HD13 ' HB2' ' A' ' 32' ' ' LEU . 38.5 mt -64.64 -46.18 83.64 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 114.556 -1.202 . . . . 73.22 110.587 176.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.475 ' HB2' HD21 ' A' ' 33' ' ' LEU . . . -71.1 -31.98 68.48 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.387 0.675 . . . . 75.1 111.562 -178.4 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -68.35 -39.66 81.77 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.954 0.902 . . . . 63.32 110.302 175.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -85.78 -19.96 29.95 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 123.158 0.583 . . . . 73.35 110.954 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.06 11.03 47.26 Favored Glycine 0 C--N 1.349 1.28 0 N-CA-C 115.747 1.059 . . . . 75.03 115.747 177.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -77.86 91.28 4.13 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-N 118.729 1.265 . . . . 73.34 110.533 169.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 33.8 m95 -79.78 -13.53 59.37 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.778 0.831 . . . . 74.21 111.002 176.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -57.36 -59.85 4.51 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.067 1.347 . . . . 74.12 111.634 -177.556 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.564 ' HB2' HD13 ' A' ' 24' ' ' LEU . 69.5 mt -71.42 -16.43 62.39 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 114.974 -1.012 . . . . 75.52 111.381 -178.516 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.475 HD21 ' HB2' ' A' ' 25' ' ' ALA . 11.0 mp -66.0 -51.16 60.84 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 109.352 -0.61 . . . . 71.33 109.352 167.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.3 mt -69.61 -25.07 63.77 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 123.67 0.606 . . . . 74.33 111.967 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -80.33 -58.37 3.17 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 121.341 0.591 . . . . 71.21 109.863 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -73.44 -9.83 59.09 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.581 1.152 . . . . 62.02 112.0 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.415 ' HA ' ' CZ3' ' A' 1008 ' ' TRP . 42.1 tt0 -43.63 -57.66 3.05 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 124.855 1.262 . . . . 74.43 112.648 174.303 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.0 p -60.73 -37.12 75.14 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 O-C-N 123.659 0.599 . . . . 62.41 110.899 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.8 m -76.61 -30.43 56.94 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.737 0.815 . . . . 72.11 112.381 -175.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.481 ' HA ' HD13 ' A' ' 17' ' ' LEU . 34.7 t80 -77.66 -44.11 29.13 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 109.305 -0.628 . . . . 74.04 109.305 -179.336 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.0 mt -73.04 -26.63 61.37 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 115.779 -0.646 . . . . 62.23 110.834 178.319 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -69.65 -47.79 62.12 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.774 0.429 . . . . 73.13 110.336 173.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.417 ' HA ' HG22 ' A' ' 46' ' ' THR . 59.5 p -63.87 -40.14 95.85 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 122.889 0.476 . . . . 70.44 110.948 -179.037 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 25.8 mt -57.46 -52.79 52.52 Favored 'Isoleucine or valine' 0 C--O 1.248 1.016 0 C-N-CA 124.249 1.02 . . . . 71.33 110.436 173.047 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.31 -44.0 97.52 Favored 'General case' 0 C--N 1.347 0.491 0 CA-C-N 115.335 -0.848 . . . . 73.11 111.159 -175.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.482 HG23 ' HD3' ' A' ' 10' ' ' ARG . 12.1 t -75.97 -29.33 58.21 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 122.867 0.467 . . . . 74.4 111.86 -173.754 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 p -77.0 -36.67 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 CA-C-N 118.426 0.557 . . . . 75.2 110.035 177.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 52.5 ttm -74.27 -25.82 59.84 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 116.001 -0.545 . . . . 70.12 109.544 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 . . . . . 0 CA--C 1.546 0.792 0 C-N-CA 123.968 0.907 . . . . 65.21 110.623 173.739 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.419 HG22 HD12 ' A' ' 60' ' ' ILE . 10.5 t . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 120.423 0.154 . . . . 52.15 111.213 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -66.74 -43.7 83.48 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.341 1.057 . . . . 74.24 112.579 -165.052 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.3 m -67.85 -43.77 78.71 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 122.729 0.412 . . . . 53.55 111.779 -177.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.419 HD12 HG22 ' A' ' 57' ' ' THR . 70.4 mt -60.92 -52.92 56.13 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 O-C-N 123.638 0.586 . . . . 74.35 109.442 176.335 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -62.93 -31.35 72.41 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 123.896 0.748 . . . . 53.25 111.561 -177.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -68.65 -53.57 21.68 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.7 0.4 . . . . 71.04 110.307 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 74.7 mtm -61.34 -49.85 75.33 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 124.076 0.86 . . . . 72.55 110.602 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.3 t -58.69 -50.44 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 124.53 1.132 . . . . 72.13 111.192 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.403 ' O ' ' HG2' ' A' ' 69' ' ' LYS . . . -63.63 -28.59 70.02 Favored 'General case' 0 N--CA 1.482 1.162 0 O-C-N 123.474 0.484 . . . . 75.34 111.036 178.309 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.5 -51.98 54.21 Favored Glycine 0 C--N 1.352 1.453 0 N-CA-C 111.043 -0.823 . . . . 40.34 111.043 172.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -64.03 -32.08 73.5 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.765 0.826 . . . . 75.3 111.329 178.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 53.4 mt -67.29 -49.89 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.361 1.065 . . . . 74.54 110.331 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 10.2 mmpt? -63.57 -41.52 98.38 Favored 'General case' 0 C--O 1.246 0.89 0 O-C-N 123.293 0.37 . . . . 73.51 110.463 -178.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -59.17 -58.34 9.08 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 124.578 1.174 . . . . 71.41 110.011 176.16 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.546 ' OG1' HG22 ' A' ' 14' ' ' ILE . 6.5 t -65.25 -39.1 92.21 Favored 'General case' 0 C--O 1.214 -0.798 0 N-CA-C 112.217 0.451 . . . . 54.53 112.217 -170.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 68.8 mt -67.55 -35.4 78.99 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.131 0.572 . . . . 72.03 111.819 177.111 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -67.49 -50.77 57.46 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-O 120.847 0.356 . . . . 75.4 110.478 176.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -65.84 -36.61 83.96 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.778 0.831 . . . . 71.21 111.301 -178.289 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -73.69 -34.39 64.85 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.734 0.814 . . . . 55.52 110.56 178.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -61.85 -47.01 86.96 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-O 121.33 0.586 . . . . 71.41 109.854 174.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 81.9 mt -64.16 -41.74 97.03 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.799 -1.091 . . . . 64.54 110.566 177.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.4 mt -57.53 -45.87 84.52 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.899 0.88 . . . . 64.2 110.832 172.15 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.448 ' HA ' HD22 ' A' 1009 ' ' LEU . 82.8 tttt -62.02 -51.37 68.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.802 -1.09 . . . . 74.14 110.297 -172.432 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -69.74 -39.66 76.71 Favored Glycine 0 C--N 1.353 1.522 0 O-C-N 124.029 0.831 . . . . 74.42 112.864 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.408 HD22 ' HB1' ' A' ' 25' ' ' ALA . 9.3 tt -58.23 -61.57 2.47 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.107 0.963 . . . . 73.34 109.227 179.501 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.524 ' HB2' HD21 ' A' 1009 ' ' LEU . 27.1 mt -62.72 -33.13 74.5 Favored 'General case' 0 C--O 1.212 -0.876 0 C-N-CA 124.711 1.204 . . . . 71.5 111.777 -178.022 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -62.07 -50.07 73.44 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.794 0.438 . . . . 72.45 110.893 177.123 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -75.32 -24.48 57.41 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 123.304 0.377 . . . . 62.41 111.211 -178.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.405 ' HA ' ' NE ' ' A' ' 85' ' ' ARG . 13.6 mmp_? -72.55 -44.96 61.41 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 123.501 0.501 . . . . 65.1 109.903 175.021 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.437 HD11 ' HB3' ' A' 1005 ' ' LEU . 89.1 mt -68.74 -37.61 79.54 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.295 0.638 . . . . 74.31 110.792 179.169 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.72 -50.63 71.65 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 124.241 0.963 . . . . 71.13 109.791 176.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -57.61 -56.87 16.36 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.302 -0.863 . . . . 72.13 111.207 175.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 82.4 mt -55.29 -44.21 75.51 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.684 1.194 . . . . 72.35 111.593 -178.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 92.2 p . . . . . 0 N--CA 1.477 0.878 0 C-N-CA 122.325 0.25 . . . . 55.41 110.948 -179.4 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 25.2 ttm . . . . . 0 N--CA 1.482 1.155 0 CA-C-O 120.967 0.413 . . . . 71.42 110.84 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 39.9 p -68.1 -45.69 73.0 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.175 -0.92 . . . . 72.25 111.047 -176.09 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 90.6 m -62.18 -42.11 98.97 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.103 0.561 . . . . 62.14 111.384 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 75.6 mtt-85 -57.64 -56.41 22.32 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 123.831 0.707 . . . . 74.14 110.077 175.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1005 ' ' LEU . . . . . 0.552 ' HA ' ' HB3' ' A' 1008 ' ' TRP . 63.3 mt -74.44 -24.27 59.05 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 124.077 0.861 . . . . 71.2 112.991 -170.687 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 38.6 p -77.32 -40.54 43.92 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-N 118.935 0.789 . . . . 64.31 110.058 174.036 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 23.6 tpt180 -62.83 -34.46 77.37 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-O 121.503 0.668 . . . . 64.3 110.084 172.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1008 ' ' TRP . . . . . 0.552 ' HB3' ' HA ' ' A' 1005 ' ' LEU . 9.4 t-105 -65.27 -52.3 55.21 Favored 'General case' 0 C--O 1.216 -0.66 0 C-N-CA 124.955 1.302 . . . . 75.4 109.671 175.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1009 ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' 1005 ' ' LEU . 92.1 mt -63.87 -33.83 76.58 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.183 0.593 . . . . 73.31 112.32 -176.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 13.8 t -78.57 -29.7 46.37 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 110.583 -0.154 . . . . 70.53 110.583 177.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -70.97 -32.45 69.31 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 122.773 0.429 . . . . 72.45 110.777 172.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1012 ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' 1008 ' ' TRP . 28.1 mt -67.88 -44.12 77.76 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 123.455 0.702 . . . . 64.11 109.142 174.482 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 21.9 t70 -63.56 -34.92 78.87 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.143 -0.935 . . . . 71.5 110.72 178.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 61.8 t30 -68.82 -44.71 72.93 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.575 0.75 . . . . 74.41 110.286 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 49.2 t80 -62.33 -60.09 4.06 Favored 'General case' 0 C--O 1.214 -0.797 0 O-C-N 123.746 0.654 . . . . 64.25 110.043 176.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -42.2 -57.47 2.51 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.98 1.712 . . . . 71.53 112.265 177.201 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1017 ' ' ALA . . . . . 0.466 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -62.77 -60.09 3.97 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.275 -0.875 . . . . 41.04 111.554 -177.366 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 20.4 tptm -67.06 -29.94 69.86 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 112.171 0.434 . . . . 62.1 112.171 -172.236 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1019 ' ' MET . . . . . 0.535 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.1 OUTLIER -78.1 -28.9 48.75 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 109.903 -0.406 . . . . 73.2 109.903 178.24 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -74.54 -15.38 60.86 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.405 0.282 . . . . 61.04 110.781 168.039 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1021 ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' 1017 ' ' ALA . 86.2 mt -89.02 -16.47 31.58 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.484 0.714 . . . . 73.03 111.756 171.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1022 ' ' LEU . . . . . 0.535 ' HG ' ' HA ' ' A' 1019 ' ' MET . 85.2 mt . . . . . 0 N--CA 1.503 2.22 0 C-N-CA 123.039 0.535 . . . . 73.2 110.831 169.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.7 p . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 112.365 0.506 . . . . 62.03 112.365 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.7 m -62.33 -41.13 98.32 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 123.407 0.683 . . . . 75.04 111.973 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 95.6 m -59.71 -57.29 13.55 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.051 0.94 . . . . 62.1 110.66 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 75.5 t -59.58 -52.42 61.18 Favored 'Isoleucine or valine' 0 C--N 1.348 0.512 0 CA-C-N 115.287 -0.87 . . . . 44.41 110.851 -176.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -64.35 -39.95 94.91 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 119.207 -0.425 . . . . 75.34 111.073 -174.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -61.54 -51.91 66.62 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.43 0.692 . . . . 74.12 111.116 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 95.1 mt -67.44 -33.28 61.46 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 CA-C-N 115.047 -0.979 . . . . 74.52 111.076 -177.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -80.99 -24.83 37.72 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.508 0.723 . . . . 75.32 111.747 -179.151 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.478 ' O ' HG13 ' A' ' 14' ' ' ILE . 80.4 mtt180 -72.73 -44.86 61.13 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 108.797 -0.816 . . . . 55.12 108.797 172.627 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 37.3 m95 -60.46 -40.7 92.15 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 123.575 0.547 . . . . 64.01 111.194 173.529 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -65.16 -40.2 94.0 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.576 0.75 . . . . 63.13 110.311 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -62.01 -45.71 92.41 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 123.96 0.788 . . . . 75.34 110.272 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 10' ' ' ARG . 67.5 mt -63.75 -45.6 96.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 124.018 0.824 . . . . 72.04 110.874 178.569 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.57 -50.45 72.58 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.571 0.748 . . . . 73.31 111.59 -176.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.45 -41.94 96.24 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 123.992 0.808 . . . . 73.52 110.64 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.5 mt -62.74 -39.44 94.09 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.005 0.522 . . . . 73.14 110.874 175.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.9 t -69.58 -43.84 72.02 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.364 0.665 . . . . 70.21 110.786 -173.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -72.32 -34.48 68.11 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 123.405 0.44 . . . . 75.24 111.397 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.42 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 72.4 m -63.6 -52.56 60.37 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 122.576 0.35 . . . . 74.43 110.363 174.324 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.62 HD13 ' HH2' ' A' 1008 ' ' TRP . 80.4 mt -63.15 -28.76 70.28 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.155 0.982 . . . . 70.41 110.876 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.539 HD22 ' HA ' ' A' ' 74' ' ' ASN . 32.2 tp -66.47 -50.12 64.36 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 123.386 0.429 . . . . 74.22 110.345 175.428 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -52.49 -45.89 66.38 Favored 'General case' 0 N--CA 1.485 1.325 0 O-C-N 124.078 0.861 . . . . 71.41 110.047 176.225 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.572 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 82.1 mt -69.54 -35.0 75.02 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 113.847 -1.524 . . . . 74.22 112.087 -177.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.519 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -68.32 -38.73 81.85 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 122.88 0.472 . . . . 72.23 110.467 178.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -65.66 -38.82 90.39 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 115.28 -0.873 . . . . 74.31 110.202 175.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -76.04 -20.75 57.52 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.514 0.726 . . . . 74.35 112.282 177.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.49 23.59 53.39 Favored Glycine 0 C--N 1.339 0.736 0 CA-C-N 116.808 -0.178 . . . . 63.04 113.34 -178.248 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.572 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 23.1 mm-40 -76.47 75.54 3.21 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.501 1.12 . . . . 64.01 110.448 175.059 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 20.1 m95 -72.05 -35.19 69.25 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.06 0.544 . . . . 73.21 111.612 -173.093 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -63.81 -36.74 84.9 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.562 0.745 . . . . 50.35 110.666 -179.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.0 mt -72.32 -37.47 68.92 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 123.233 0.613 . . . . 72.4 110.691 178.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.453 ' HA ' HD22 ' A' ' 21' ' ' LEU . 9.4 mp -61.04 -43.36 99.0 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 122.753 0.421 . . . . 74.22 110.815 172.341 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.6 mt -73.95 -27.55 61.06 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.051 0.94 . . . . 64.11 111.883 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -74.92 -49.32 20.62 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.697 0.799 . . . . 65.11 110.294 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.489 ' HB2' HD21 ' A' ' 21' ' ' LEU . 70.4 mt-30 -85.75 -9.96 56.29 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.044 0.938 . . . . 74.42 111.61 -176.345 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.446 ' HG3' ' HE3' ' A' 1008 ' ' TRP . 40.9 tt0 -44.44 -52.71 7.58 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.347 1.459 . . . . 71.35 112.446 173.048 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.9 p -53.4 -46.95 59.0 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 O-C-N 124.177 0.923 . . . . 63.44 111.32 178.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.3 m -68.77 -38.99 80.44 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.137 0.975 . . . . 73.34 111.985 -175.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -73.04 -49.73 27.07 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.485 0.714 . . . . 62.23 110.61 -174.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.0 mt -64.99 -37.93 89.29 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 123.906 0.754 . . . . 62.3 110.729 179.146 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -61.82 -45.7 92.72 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.282 0.633 . . . . 74.11 111.024 176.057 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.459 ' HA ' HG22 ' A' ' 46' ' ' THR . 8.9 t -66.03 -37.21 85.29 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 123.06 0.544 . . . . 74.0 110.735 -178.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 17.6 mt -59.64 -56.95 13.91 Favored 'Isoleucine or valine' 0 C--O 1.251 1.15 0 C-N-CA 124.659 1.183 . . . . 54.3 111.119 175.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -68.74 -29.94 68.45 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.739 -0.664 . . . . 72.5 111.002 -174.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.459 HG22 ' HA ' ' A' ' 43' ' ' SER . 6.7 t -79.28 -30.12 42.84 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 111.931 0.345 . . . . 71.55 111.931 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 p -75.83 -35.6 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-N 118.979 0.809 . . . . 62.54 110.014 176.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 41.9 ttm -73.58 -26.11 60.67 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 109.547 -0.538 . . . . 54.32 109.547 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 . . . . . 0 N--CA 1.477 0.882 0 C-N-CA 124.229 1.012 . . . . 74.12 110.632 167.674 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.6 t . . . . . 0 CA--C 1.553 1.085 0 N-CA-C 111.907 0.336 . . . . 52.04 111.907 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -53.75 -55.5 25.74 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.17 1.388 . . . . 73.22 112.863 -170.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.9 m -65.45 -44.15 88.15 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.236 0.614 . . . . 51.33 111.835 -173.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 65.7 mt -60.82 -51.16 76.39 Favored 'Isoleucine or valine' 0 C--N 1.358 0.938 0 N-CA-C 109.304 -0.628 . . . . 61.02 109.304 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 23.9 tm0? -57.54 -45.09 85.51 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 123.945 0.778 . . . . 54.43 110.744 -178.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -62.9 -54.56 36.78 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.86 0.864 . . . . 64.41 111.264 -176.267 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 78.3 mtm -62.03 -49.53 75.64 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 123.784 0.677 . . . . 73.11 110.787 -178.067 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.2 t -58.36 -44.69 88.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 123.858 0.863 . . . . 75.21 111.079 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.94 -30.9 71.55 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.451 0.701 . . . . 74.0 111.281 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.69 -47.27 85.33 Favored Glycine 0 C--N 1.35 1.317 0 N-CA-C 111.42 -0.672 . . . . 64.34 111.42 173.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -67.96 -33.48 74.73 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.61 0.764 . . . . 63.42 111.356 179.041 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.472 HG23 ' HE1' ' A' 1019 ' ' MET . 18.0 mt -65.57 -48.0 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 124.695 1.198 . . . . 63.4 109.654 177.206 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -63.06 -41.99 99.58 Favored 'General case' 0 C--O 1.246 0.911 0 C-N-CA 123.541 0.736 . . . . 74.03 110.19 -179.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -59.81 -58.71 7.41 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 115.213 -0.903 . . . . 72.31 110.195 176.343 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.1 t -65.95 -33.78 76.6 Favored 'General case' 0 C--O 1.206 -1.2 0 CA-C-O 119.002 -0.523 . . . . 75.45 111.894 -173.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.558 HD21 ' SD ' ' A' 1019 ' ' MET . 56.4 mt -67.84 -40.78 83.66 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 118.466 0.575 . . . . 74.1 111.386 177.574 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.422 ' O ' ' HB3' ' A' ' 76' ' ' GLN . 27.9 t70 -73.78 -47.24 40.33 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-O 121.578 0.704 . . . . 63.45 111.442 -179.257 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.539 ' HA ' HD22 ' A' ' 22' ' ' LEU . 15.0 m120 -69.41 -38.27 77.86 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.259 -0.882 . . . . 61.21 110.644 -176.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.674 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 34.9 tt0 -75.18 -32.24 61.2 Favored 'General case' 0 C--O 1.209 -1.072 0 O-C-N 123.439 0.462 . . . . 71.13 110.676 175.464 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.422 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 19.1 tt0 -52.22 -49.25 64.33 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 121.516 0.674 . . . . 70.55 109.713 170.751 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.4 mt -71.93 -31.65 66.55 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 114.745 -1.116 . . . . 74.33 111.711 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.674 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 11.0 mt -62.42 -65.53 0.68 Allowed 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 123.042 0.537 . . . . 71.24 111.093 175.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 19.7 pttp -70.2 -23.39 62.95 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.194 0.598 . . . . 75.12 112.038 -175.56 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.92 -50.66 45.46 Favored Glycine 0 C--N 1.348 1.198 0 N-CA-C 112.344 -0.302 . . . . 72.31 112.344 170.231 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.519 HD22 ' HB1' ' A' ' 25' ' ' ALA . 8.6 tt -65.82 -40.32 91.71 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.879 0.872 . . . . 61.45 110.993 179.513 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.456 HD13 ' HE1' ' A' 1008 ' ' TRP . 37.7 mt -79.72 -30.45 40.94 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.768 0.827 . . . . 74.41 111.961 -173.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -69.62 -43.63 72.31 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 108.726 -0.842 . . . . 71.22 108.726 170.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.405 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 59.8 tp60 -59.24 -40.17 85.07 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 123.843 0.715 . . . . 65.44 109.89 174.652 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.578 ' HA ' ' HE ' ' A' ' 85' ' ' ARG . 0.1 OUTLIER -64.74 -56.78 11.5 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 123.623 0.769 . . . . 75.11 110.335 -177.095 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.528 HD11 ' HB3' ' A' 1005 ' ' LEU . 86.3 mt -69.61 -21.81 63.55 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 123.621 0.576 . . . . 65.22 112.114 -176.269 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -76.6 -43.39 38.76 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.111 0.564 . . . . 73.53 110.104 175.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 84' ' ' GLN . 14.1 mm-40 -61.19 -48.56 80.98 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.153 0.581 . . . . 74.1 109.686 173.506 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 89.5 mt -59.08 -43.89 91.84 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 124.407 1.083 . . . . 72.14 110.979 178.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.1 t . . . . . 0 N--CA 1.482 1.167 0 C-N-CA 123.026 0.53 . . . . 63.43 110.752 177.617 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 47.1 ttp . . . . . 0 CA--C 1.538 0.488 0 N-CA-C 110.048 -0.353 . . . . 64.4 110.048 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 25.2 p -65.73 -48.46 71.86 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 123.457 0.473 . . . . 52.44 111.076 -178.231 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 39.1 p -63.15 -45.19 93.04 Favored 'General case' 0 C--O 1.248 0.982 0 O-C-N 123.426 0.454 . . . . 73.54 112.053 -176.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -66.21 -44.07 84.94 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-O 118.949 -0.548 . . . . 74.03 110.809 178.267 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1005 ' ' LEU . . . . . 0.528 ' HB3' HD11 ' A' ' 86' ' ' LEU . 35.7 mt -70.51 -29.24 65.7 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 118.902 -0.57 . . . . 72.13 112.504 -178.522 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 41.2 p -73.28 -44.44 59.19 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 118.991 0.814 . . . . 61.44 110.446 176.184 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -57.48 -40.57 78.86 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.43 0.692 . . . . 63.3 110.364 171.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1008 ' ' TRP . . . . . 0.62 ' HH2' HD13 ' A' ' 21' ' ' LEU . 3.4 t-105 -61.49 -49.07 78.22 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 125.069 1.348 . . . . 74.3 110.142 177.439 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1009 ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' 1005 ' ' LEU . 63.6 mt -64.9 -40.76 95.59 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.045 0.538 . . . . 74.02 111.734 -176.508 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 14.7 t -72.04 -28.8 63.59 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 119.524 -0.274 . . . . 60.3 110.551 178.126 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -75.21 -30.01 60.47 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.195 0.598 . . . . 70.44 111.351 175.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1012 ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' 1008 ' ' TRP . 16.6 mt -72.42 -49.8 30.97 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 121.272 0.558 . . . . 72.42 110.066 177.357 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 19.6 t70 -62.16 -36.96 83.42 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 115.198 -0.91 . . . . 75.43 110.113 177.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 8.2 t30 -60.9 -46.17 91.71 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.065 0.946 . . . . 72.13 110.768 172.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 34.6 t80 -59.28 -61.22 2.79 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-O 119.151 -0.452 . . . . 71.14 109.896 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.05 -48.65 52.8 Favored 'General case' 0 C--O 1.248 1.02 0 C-N-CA 124.797 1.239 . . . . 73.2 112.039 -177.166 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1017 ' ' ALA . . . . . 0.4 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -61.4 -60.29 3.96 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 115.278 -0.874 . . . . 53.32 111.811 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -67.43 -29.42 68.89 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.576 0.75 . . . . 60.44 111.369 -173.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1019 ' ' MET . . . . . 0.608 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.4 OUTLIER -80.85 -26.67 36.82 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 120.484 0.183 . . . . 74.33 110.657 -178.902 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -68.68 -32.96 73.16 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 110.043 -0.355 . . . . 60.41 110.043 166.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1021 ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' 1017 ' ' ALA . 91.0 mt -80.73 -12.35 59.48 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.553 0.741 . . . . 74.12 112.826 178.579 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1022 ' ' LEU . . . . . 0.608 ' HG ' ' HA ' ' A' 1019 ' ' MET . 57.6 mt . . . . . 0 N--CA 1.494 1.764 0 C-N-CA 122.833 0.453 . . . . 63.34 111.553 169.369 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.5 m . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 111.536 0.199 . . . . 74.14 111.536 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.8 m -63.02 -44.09 96.94 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.835 0.854 . . . . 53.14 110.938 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 87.2 m -55.32 -57.95 9.72 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.584 1.154 . . . . 64.0 110.839 176.117 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.9 t -60.64 -44.42 96.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 115.116 -0.947 . . . . 74.44 110.237 -175.033 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -56.32 -53.11 61.19 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.217 1.007 . . . . 73.42 110.725 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.497 ' HA ' HH21 ' A' ' 10' ' ' ARG . 10.7 t80 -64.88 -52.9 54.03 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 114.663 -1.153 . . . . 72.43 110.894 -171.737 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.456 HD11 HG12 ' A' ' 60' ' ' ILE . 82.4 mt -62.18 -45.75 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 O-C-N 124.139 0.899 . . . . 74.04 111.237 -177.686 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -65.58 -42.02 92.2 Favored 'General case' 0 N--CA 1.484 1.24 0 O-C-N 123.649 0.593 . . . . 64.14 111.251 -176.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.521 ' NH1' ' HA ' ' A' ' 47' ' ' VAL . 87.7 mtm180 -62.16 -54.35 42.37 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 123.41 0.444 . . . . 64.34 110.442 177.479 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 77.4 m95 -61.12 -33.03 72.74 Favored 'General case' 0 N--CA 1.483 1.177 0 O-C-N 123.705 0.628 . . . . 75.24 112.134 -178.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -65.08 -47.06 78.62 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.171 0.588 . . . . 74.31 109.71 177.222 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -60.39 -46.9 88.33 Favored 'General case' 0 C--N 1.355 0.821 0 O-C-N 123.886 0.741 . . . . 72.15 110.725 177.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 10' ' ' ARG . 79.9 mt -63.59 -38.91 83.5 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 123.761 0.824 . . . . 62.5 110.983 -176.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.17 -45.69 76.22 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.337 0.655 . . . . 63.41 111.14 178.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.1 mt -71.09 -32.84 69.57 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.0 0.52 . . . . 63.53 111.132 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 40' ' ' TYR . 40.7 mt -66.64 -54.26 25.22 Favored 'General case' 0 C--O 1.213 -0.841 0 C-N-CA 123.282 0.633 . . . . 75.43 109.347 177.43 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.4 p -62.68 -35.51 79.92 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.489 0.716 . . . . 55.32 110.969 -177.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.402 ' HA ' ' OD1' ' A' ' 74' ' ' ASN . 25.4 tt0 -56.59 -63.09 1.31 Allowed 'General case' 0 C--O 1.249 1.032 0 C-N-CA 124.203 1.001 . . . . 64.12 110.982 173.461 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.481 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 57.3 m -52.83 -54.63 31.61 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 124.634 1.209 . . . . 73.22 110.456 179.181 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.599 HD21 ' HB2' ' A' ' 36' ' ' GLN . 82.1 mt -58.47 -36.19 73.34 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.831 1.252 . . . . 60.23 111.864 -177.287 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.579 HD22 ' HA ' ' A' ' 74' ' ' ASN . 43.6 tp -65.24 -49.46 69.56 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 109.98 -0.378 . . . . 51.32 109.98 177.078 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -59.86 -34.65 73.4 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 123.927 0.767 . . . . 75.33 110.447 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.526 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 92.4 mt -74.59 -32.03 62.23 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.971 0.908 . . . . 73.4 111.096 178.768 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.491 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -69.81 -38.13 76.49 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.098 0.559 . . . . 73.53 110.082 177.238 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -67.6 -36.97 81.86 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.236 -0.893 . . . . 71.05 110.411 174.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.1 mtp85 -74.08 -25.24 59.7 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.422 0.689 . . . . 72.44 112.066 177.128 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.13 24.13 52.95 Favored Glycine 0 C--N 1.339 0.731 0 O-C-N 123.215 0.322 . . . . 72.32 113.218 -175.1 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.526 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 52.5 mm-40 -77.56 68.08 3.59 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.683 0.793 . . . . 75.31 110.235 172.733 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.404 ' HE3' HD12 ' A' ' 33' ' ' LEU . 32.5 m95 -66.09 -30.37 70.86 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.154 0.582 . . . . 61.44 110.827 -173.351 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -69.25 -41.97 76.21 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.763 0.825 . . . . 70.32 110.678 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 71.8 mt -67.94 -32.35 72.72 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 122.896 0.478 . . . . 73.24 110.866 176.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.404 HD12 ' HE3' ' A' ' 30' ' ' TRP . 65.9 mt -62.81 -47.43 83.47 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.528 0.518 . . . . 73.04 110.21 173.295 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.9 mt -64.64 -38.17 90.1 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 124.149 0.906 . . . . 54.31 111.762 179.309 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -62.32 -56.18 20.9 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 121.808 0.813 . . . . 71.51 110.02 -179.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.599 ' HB2' HD21 ' A' ' 21' ' ' LEU . 81.6 mt-30 -83.46 -10.23 58.5 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 114.238 -1.346 . . . . 72.14 112.047 -174.135 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.27 -53.03 11.48 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.957 1.303 . . . . 62.22 111.022 174.252 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.5 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 72.0 t -52.34 -61.55 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.883 0 O-C-N 124.533 1.146 . . . . 64.52 109.627 178.231 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.8 m -50.45 -43.49 55.23 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 124.728 1.267 . . . . 75.45 112.01 -176.006 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.412 ' HA ' HD13 ' A' ' 17' ' ' LEU . 35.5 t80 -68.82 -47.32 66.35 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 123.947 0.779 . . . . 71.42 110.854 -175.586 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.574 HD11 ' HA ' ' A' 1008 ' ' TRP . 76.9 mt -71.93 -29.12 63.96 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 123.402 0.439 . . . . 43.12 111.983 -176.049 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 18.0 mm100 -76.63 -34.88 58.31 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 122.944 0.498 . . . . 63.44 110.069 177.712 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.6 m -64.81 -43.66 92.43 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.0 0.52 . . . . 61.21 110.354 173.104 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 25.6 mt -55.69 -49.8 71.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.695 1.198 . . . . 51.31 110.596 174.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -59.86 -55.76 30.17 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.107 -0.951 . . . . 64.02 110.377 -178.076 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.2 t -64.13 -31.08 72.15 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 123.857 0.723 . . . . 73.31 111.648 -173.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.521 ' HA ' ' NH1' ' A' ' 10' ' ' ARG . 1.9 p -75.72 -38.85 38.3 Favored 'Isoleucine or valine' 0 C--N 1.363 1.174 0 N-CA-C 110.473 -0.195 . . . . 72.11 110.473 179.42 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 42.1 ttm -79.29 -12.45 59.94 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.148 0.579 . . . . 54.45 110.827 -177.31 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 . . . . . 0 CA--C 1.553 1.07 0 N-CA-C 112.048 0.388 . . . . 72.4 112.048 171.074 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.0 t . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 111.855 0.317 . . . . 64.12 111.855 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -31.49 66.85 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.771 0.829 . . . . 74.13 112.375 -170.74 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.9 m -67.17 -57.78 6.09 Favored 'General case' 0 C--O 1.256 1.423 0 C-N-CA 123.45 0.7 . . . . 64.51 110.442 -177.307 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.456 HG12 HD11 ' A' ' 8' ' ' ILE . 65.7 mt -62.43 -47.45 92.96 Favored 'Isoleucine or valine' 0 C--N 1.36 1.03 0 CA-C-N 115.046 -0.979 . . . . 74.12 109.721 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -59.08 -43.25 91.77 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 123.916 0.76 . . . . 74.31 111.281 -178.024 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -65.24 -52.09 56.77 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 123.396 0.435 . . . . 72.53 110.618 -177.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 58.8 mtm -61.74 -48.76 79.27 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.697 0.623 . . . . 61.1 110.804 -178.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.409 HG11 ' CE1' ' A' ' 7' ' ' PHE . 18.6 t -64.09 -41.03 91.18 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.823 0 C-N-CA 124.044 0.938 . . . . 73.11 111.441 -178.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.443 ' HA ' ' HB ' ' A' ' 68' ' ' ILE . . . -69.31 -29.33 67.15 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 122.843 0.457 . . . . 43.32 110.658 179.722 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.72 -41.15 93.93 Favored Glycine 0 C--N 1.347 1.17 0 N-CA-C 111.272 -0.731 . . . . 71.01 111.272 170.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -67.93 -33.8 75.37 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.793 0.837 . . . . 71.33 110.796 175.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.481 HG23 ' HE1' ' A' 1019 ' ' MET . 20.0 mt -68.7 -47.82 74.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 125.127 1.371 . . . . 62.21 109.714 -179.164 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -69.81 -37.73 76.37 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 123.683 0.614 . . . . 62.22 110.049 -178.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -60.43 -53.41 57.92 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 123.98 0.8 . . . . 61.24 110.061 175.241 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.434 ' OG1' HG22 ' A' ' 14' ' ' ILE . 5.9 t -71.66 -35.1 70.24 Favored 'General case' 0 C--O 1.203 -1.367 0 CA-C-O 118.926 -0.559 . . . . 63.0 111.412 -173.749 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 72' ' ' LEU . 19.4 mt -67.86 -40.6 83.6 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 118.272 0.487 . . . . 73.13 110.924 178.43 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -64.92 -55.33 19.92 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.797 0.685 . . . . 71.24 110.081 177.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.579 ' HA ' HD22 ' A' ' 22' ' ' LEU . 0.8 OUTLIER -69.96 -31.4 69.11 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 114.864 -1.062 . . . . 64.1 111.48 -171.938 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -79.6 -37.88 35.24 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 123.47 0.481 . . . . 74.12 111.286 178.55 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -63.51 -35.85 81.84 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 109.417 -0.586 . . . . 73.12 109.417 175.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.6 mt -68.34 -40.94 81.39 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.418 0.687 . . . . 55.1 110.807 173.415 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.8 mt -58.06 -43.89 87.16 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.208 0.603 . . . . 61.33 110.85 171.146 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 83' ' ' GLN . 8.3 tmtt? -67.53 -46.3 73.23 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.252 1.021 . . . . 61.21 109.048 -172.393 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -72.88 -41.17 50.11 Favored Glycine 0 C--N 1.343 0.927 0 O-C-N 124.066 0.854 . . . . 55.11 113.112 -177.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.491 HD22 ' HB1' ' A' ' 25' ' ' ALA . 10.0 tt -64.02 -48.68 75.38 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.604 0.761 . . . . 71.22 109.711 179.451 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.467 ' HB2' HD21 ' A' 1009 ' ' LEU . 39.1 mt -77.07 -23.2 51.98 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.644 0.778 . . . . 65.53 111.813 -176.018 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 0.5 OUTLIER -65.91 -53.61 37.23 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 107.503 -1.295 . . . . 71.43 107.503 170.162 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.27 -37.02 76.6 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 124.648 1.218 . . . . 52.52 109.933 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -69.43 -55.51 10.09 Favored 'General case' 0 C--N 1.346 0.421 0 C-N-CA 123.961 0.904 . . . . 74.51 110.806 -176.083 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.535 HD11 ' HB3' ' A' 1005 ' ' LEU . 96.0 mt -66.17 -36.86 84.22 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.904 0.482 . . . . 71.5 111.043 -177.456 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -64.79 -45.03 88.01 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 124.338 1.024 . . . . 63.43 110.423 177.411 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -63.06 -53.75 48.8 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 123.744 0.652 . . . . 71.12 110.036 178.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 92.6 mt -50.15 -52.92 31.29 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.476 1.11 . . . . 72.1 110.66 178.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 78.2 p . . . . . 0 N--CA 1.474 0.729 0 C-N-CA 123.283 0.633 . . . . 73.42 111.336 -178.714 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 54.2 ttp . . . . . 0 N--CA 1.472 0.642 0 CA-C-O 120.438 0.161 . . . . 75.24 110.955 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 29.0 p -67.61 -48.31 67.15 Favored 'General case' 0 C--N 1.345 0.398 0 O-C-N 123.772 0.67 . . . . 74.32 111.657 -173.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 14.5 t -64.02 -40.23 95.87 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 123.156 0.285 . . . . 75.25 111.426 -177.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -69.94 -39.26 76.17 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 123.255 0.347 . . . . 64.41 110.728 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1005 ' ' LEU . . . . . 0.589 ' HA ' ' HB3' ' A' 1008 ' ' TRP . 39.4 mt -77.16 -22.78 51.97 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 118.684 -0.674 . . . . 71.45 112.664 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 27.8 p -78.92 -42.51 26.92 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-N 119.273 0.942 . . . . 74.04 109.834 175.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -57.36 -40.05 77.28 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 115.816 -0.629 . . . . 61.34 110.276 169.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1008 ' ' TRP . . . . . 0.589 ' HB3' ' HA ' ' A' 1005 ' ' LEU . 1.2 t-105 -61.16 -53.52 55.95 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 114.712 -1.131 . . . . 73.3 110.799 175.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1009 ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' 1005 ' ' LEU . 88.4 mt -62.29 -39.14 92.01 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.259 0.624 . . . . 75.53 111.469 -175.353 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 13.0 t -74.14 -30.05 62.1 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 122.888 0.117 . . . . 64.4 110.943 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -74.45 -29.41 61.46 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 122.83 0.452 . . . . 72.42 110.808 175.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1012 ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' 1008 ' ' TRP . 21.4 mt -69.1 -48.34 62.85 Favored 'General case' 0 C--N 1.359 0.986 0 N-CA-C 109.073 -0.714 . . . . 75.54 109.073 174.168 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 33.3 t70 -58.4 -40.7 83.14 Favored 'General case' 0 C--O 1.246 0.892 0 CA-C-N 114.561 -1.2 . . . . 74.33 110.148 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 8.0 t30 -62.7 -48.63 78.42 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.578 1.151 . . . . 74.43 110.823 176.028 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 67.2 t80 -60.28 -59.48 5.33 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 123.287 0.635 . . . . 64.31 110.235 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -46.63 -56.8 5.53 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.459 1.503 . . . . 74.24 110.737 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -61.29 -53.82 51.86 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 124.027 0.829 . . . . 53.2 111.85 -175.623 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -71.84 -25.06 61.82 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.274 0.629 . . . . 61.3 111.911 -173.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1019 ' ' MET . . . . . 0.597 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.6 OUTLIER -88.43 -19.3 26.72 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 110.501 -0.185 . . . . 74.45 110.501 179.133 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -75.49 -25.02 56.96 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 109.339 -0.615 . . . . 71.04 109.339 165.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 92.8 mt -75.08 -31.04 61.11 Favored 'General case' 0 C--N 1.358 0.971 0 CA-C-O 118.377 -0.82 . . . . 72.2 111.552 171.152 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1022 ' ' LEU . . . . . 0.597 ' HG ' ' HA ' ' A' 1019 ' ' MET . 61.0 mt . . . . . 0 N--CA 1.505 2.295 0 O-C-N 123.743 0.652 . . . . 72.01 111.958 174.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.486 1.345 0 N-CA-C 111.829 0.307 . . . . 63.22 111.829 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.8 p -67.08 -37.94 84.87 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.1 0.56 . . . . 74.13 111.13 176.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.1 m -59.59 -47.5 85.32 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.52 1.128 . . . . 64.34 110.784 174.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.8 t -64.32 -47.46 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 115.804 -0.635 . . . . 65.24 110.298 -178.452 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -52.1 -59.92 3.81 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 123.862 0.726 . . . . 75.25 110.175 176.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -58.62 -59.2 5.77 Favored 'General case' 0 CA--C 1.556 1.208 0 CA-C-N 114.994 -1.003 . . . . 71.4 111.82 -172.074 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.593 HD11 HG12 ' A' ' 60' ' ' ILE . 71.0 mt -63.42 -47.73 90.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 123.588 0.755 . . . . 74.34 111.607 -175.217 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -72.15 -30.49 65.06 Favored 'General case' 0 N--CA 1.485 1.308 0 O-C-N 123.31 0.381 . . . . 63.22 111.554 -172.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.507 ' O ' HG13 ' A' ' 14' ' ' ILE . 95.2 mtt180 -71.57 -46.62 58.89 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 119.185 -0.436 . . . . 75.54 110.235 174.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 59.5 m95 -59.75 -37.51 79.19 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-O 120.769 0.319 . . . . 63.13 111.356 175.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -66.21 -41.62 89.88 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.954 0.902 . . . . 70.5 109.997 177.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -62.04 -42.3 99.03 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.878 0.871 . . . . 75.13 110.761 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.554 HG22 ' OG1' ' A' ' 71' ' ' THR . 59.8 mt -68.74 -38.71 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.416 0.686 . . . . 63.32 110.209 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.52 -44.83 89.63 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 122.864 0.466 . . . . 74.3 111.18 178.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.5 mt -66.3 -44.19 84.15 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.555 0.742 . . . . 72.41 110.822 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 45.9 mt -64.11 -44.62 91.73 Favored 'General case' 0 C--O 1.212 -0.891 0 CA-C-N 115.842 -0.617 . . . . 73.25 110.162 178.205 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.7 t -65.0 -40.72 95.35 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.166 0.586 . . . . 65.34 111.442 -175.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.502 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 13.5 pt20 -70.18 -39.99 74.94 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 123.408 0.443 . . . . 74.31 110.514 178.44 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.451 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 65.5 m -61.73 -52.5 64.02 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 123.326 0.391 . . . . 73.15 110.268 177.167 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.581 HD13 ' HH2' ' A' 1008 ' ' TRP . 65.0 mt -62.31 -34.24 76.22 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.766 1.226 . . . . 62.52 110.84 -179.098 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.8 tp -62.71 -50.97 69.02 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 123.462 0.477 . . . . 64.3 110.219 175.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.502 ' HG2' ' O ' ' A' ' 19' ' ' GLN . 19.5 mm-40 -58.5 -35.19 71.85 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 123.777 0.673 . . . . 74.51 111.083 178.047 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.527 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 88.7 mt -75.77 -30.9 59.3 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.717 0.807 . . . . 72.0 111.526 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.524 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -71.95 -35.32 69.54 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-O 121.109 0.48 . . . . 73.22 110.187 176.482 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -70.67 -38.53 73.78 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.26 -0.882 . . . . 72.45 109.86 175.168 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -73.31 -27.41 61.52 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.763 0.825 . . . . 54.44 111.281 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.53 17.1 53.75 Favored Glycine 0 C--N 1.341 0.828 0 CA-C-N 116.285 -0.416 . . . . 44.02 113.435 -175.488 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.527 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 22.5 mm-40 -76.94 71.41 3.45 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.535 0.734 . . . . 73.41 110.452 171.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.403 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 27.6 m95 -67.29 -31.98 72.66 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 115.666 -0.697 . . . . 73.12 110.091 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -66.02 -38.73 89.18 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 114.894 -1.048 . . . . 62.13 111.179 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.1 mt -74.7 -27.02 60.21 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 122.927 0.491 . . . . 73.32 111.235 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 74.3 mt -63.72 -45.38 90.24 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 109.435 -0.58 . . . . 51.24 109.435 170.195 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.473 HD21 ' HG ' ' A' 1005 ' ' LEU . 88.4 mt -68.28 -33.46 74.4 Favored 'General case' 0 N--CA 1.481 1.097 0 O-C-N 123.931 0.769 . . . . 33.24 112.216 178.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -68.4 -51.94 38.48 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 121.706 0.765 . . . . 73.33 109.994 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.436 ' HB2' HD21 ' A' ' 21' ' ' LEU . 83.2 mt-30 -85.43 -8.52 58.35 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.817 1.247 . . . . 74.22 112.448 -176.746 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.444 ' HG3' ' CE3' ' A' 1008 ' ' TRP . 35.7 tt0 -43.7 -54.79 4.81 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.7 1.2 . . . . 75.05 112.106 175.158 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 31.4 t -61.28 -36.69 74.54 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 O-C-N 124.126 0.891 . . . . 71.34 111.132 -177.119 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.4 t -68.48 -41.52 80.01 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.067 0.947 . . . . 44.12 111.878 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -72.45 -43.93 63.09 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.07 0.548 . . . . 74.34 110.496 -175.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.4 mt -68.43 -32.42 72.44 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 115.399 -0.819 . . . . 63.53 110.192 178.157 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -60.37 -54.6 43.72 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.451 0.7 . . . . 62.43 110.747 173.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.7 p -61.9 -37.14 83.48 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 123.948 0.78 . . . . 61.15 111.563 -177.228 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.7 mt -61.65 -50.91 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.767 0.827 . . . . 60.42 111.219 174.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -60.19 -46.49 89.54 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 123.776 0.672 . . . . 64.2 110.518 -177.083 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.402 HG23 ' HD3' ' A' ' 10' ' ' ARG . 14.9 t -74.79 -29.48 61.12 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 115.603 -0.726 . . . . 62.33 112.226 -173.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.8 p -77.27 -37.25 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 CA-C-N 118.665 0.666 . . . . 73.1 110.688 177.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 46.8 ttm -74.53 -26.17 59.81 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 109.421 -0.585 . . . . 75.45 109.421 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 . . . . . 0 CA--C 1.552 1.044 0 CA-C-N 115.268 -0.878 . . . . 63.45 110.597 168.208 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 112.123 0.416 . . . . 63.44 112.123 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -53.41 -45.44 69.35 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 124.844 1.258 . . . . 74.22 113.067 -171.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.5 m -58.14 -57.34 13.29 Favored 'General case' 0 C--O 1.25 1.091 0 C-N-CA 123.188 0.595 . . . . 71.34 111.584 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.593 HG12 HD11 ' A' ' 8' ' ' ILE . 61.5 mt -63.37 -47.36 92.28 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 CA-C-N 115.023 -0.989 . . . . 74.43 110.617 -178.262 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -56.49 -46.16 80.63 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.133 0.973 . . . . 71.52 111.574 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -66.54 -51.97 50.74 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.309 0.644 . . . . 71.22 111.026 -178.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 74.3 mtm -59.96 -47.35 86.17 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 123.599 0.562 . . . . 73.34 110.706 -178.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 37.0 t -66.95 -35.4 74.61 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.82 0 C-N-CA 124.088 0.955 . . . . 64.43 111.219 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.67 -34.21 77.77 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.748 0.419 . . . . 73.34 110.608 175.01 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.97 -46.87 90.35 Favored Glycine 0 C--N 1.351 1.385 0 CA-C-N 114.806 -1.088 . . . . 74.44 111.535 172.636 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -67.47 -34.43 77.16 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.431 0.692 . . . . 75.31 111.669 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 15.3 mt -68.7 -56.87 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 124.501 1.121 . . . . 61.52 110.137 -178.268 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -68.92 -27.21 65.56 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 119.41 -0.328 . . . . 70.54 111.357 -178.465 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -64.05 -59.39 4.52 Favored 'General case' 0 C--N 1.358 0.977 0 N-CA-C 109.439 -0.578 . . . . 72.41 109.439 172.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.554 ' OG1' HG22 ' A' ' 14' ' ' ILE . 12.5 t -65.6 -32.27 73.76 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 123.506 0.504 . . . . 52.21 111.7 -174.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 26.3 mt -69.52 -47.67 63.0 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.398 0.436 . . . . 65.52 110.755 177.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -59.41 -44.79 92.79 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-O 121.487 0.661 . . . . 34.45 110.708 178.118 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.439 HD22 ' N ' ' A' ' 74' ' ' ASN . 0.8 OUTLIER -75.19 -35.42 61.54 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 114.649 -1.16 . . . . 74.54 110.524 -173.778 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.598 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 31.9 tt0 -79.37 -24.42 42.66 Favored 'General case' 0 N--CA 1.482 1.141 0 O-C-N 123.752 0.657 . . . . 65.35 110.713 176.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -67.26 -47.48 70.61 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 108.714 -0.846 . . . . 74.44 108.714 174.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.8 mt -63.53 -39.06 93.44 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 114.4 -1.273 . . . . 75.25 110.751 174.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.598 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 13.9 mt -57.73 -63.43 1.25 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.353 0.661 . . . . 74.43 110.886 174.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.3 pptp? -66.09 -28.97 69.23 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 123.415 0.447 . . . . 72.13 111.494 -171.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.28 -51.19 34.0 Favored Glycine 0 C--N 1.351 1.381 0 O-C-N 123.714 0.634 . . . . 75.32 112.141 175.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.524 HD22 ' HB1' ' A' ' 25' ' ' ALA . 8.5 tt -60.71 -45.85 92.64 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.094 0.958 . . . . 74.44 110.452 178.561 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.638 HD13 ' HE1' ' A' 1008 ' ' TRP . 53.5 mt -75.4 -36.4 60.87 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.352 1.061 . . . . 71.44 111.337 -171.571 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.1 tm0? -62.19 -51.26 68.54 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 108.372 -0.973 . . . . 62.21 108.372 172.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -55.92 -41.78 75.11 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 124.214 0.946 . . . . 74.03 111.364 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -65.12 -51.93 58.37 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.996 0.918 . . . . 70.4 109.828 -177.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.591 HD11 ' HB3' ' A' 1005 ' ' LEU . 92.4 mt -71.73 -26.28 62.41 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.161 0.584 . . . . 71.32 112.023 -177.632 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -70.82 -47.84 57.26 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.005 0.922 . . . . 71.51 108.62 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.79 -53.54 57.22 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-N 114.689 -1.141 . . . . 70.32 110.187 172.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 76.4 mt -53.34 -39.19 63.93 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 124.126 0.971 . . . . 74.21 112.035 178.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 73.9 m . . . . . 0 N--CA 1.477 0.889 0 N-CA-C 109.784 -0.45 . . . . 71.22 109.784 176.429 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 47.9 ttp . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 111.798 0.296 . . . . 75.1 111.798 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 41.3 p -66.19 -39.6 89.8 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 116.207 -0.452 . . . . 71.0 111.529 -177.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1003 ' ' THR . . . . . 0.511 ' O ' ' HG2' ' A' 1007 ' ' ARG . 95.9 m -60.42 -49.52 77.26 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.284 0.634 . . . . 60.45 109.888 179.587 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -54.56 -53.16 58.25 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.973 0.796 . . . . 72.32 110.477 176.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1005 ' ' LEU . . . . . 0.591 ' HB3' HD11 ' A' ' 86' ' ' LEU . 51.0 mt -72.33 -22.05 61.23 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 113.376 0.88 . . . . 74.25 113.376 -174.537 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 32.6 p -80.62 -40.97 24.74 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 119.045 0.839 . . . . 60.41 110.387 177.117 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1007 ' ' ARG . . . . . 0.511 ' HG2' ' O ' ' A' 1003 ' ' THR . 35.0 mmt180 -64.46 -36.74 85.16 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-O 121.621 0.724 . . . . 62.42 109.657 173.295 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1008 ' ' TRP . . . . . 0.638 ' HE1' HD13 ' A' ' 82' ' ' LEU . 20.4 t-105 -61.27 -52.77 63.34 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.176 -1.375 . . . . 73.34 110.432 174.752 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1009 ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' 1005 ' ' LEU . 40.2 mt -64.65 -36.06 83.04 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.033 0.533 . . . . 71.34 112.341 -177.014 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 14.0 t -75.47 -27.88 59.02 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 117.66 0.209 . . . . 44.4 110.501 178.386 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -73.54 -32.99 64.49 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.846 0.458 . . . . 73.51 111.221 173.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1012 ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' 1008 ' ' TRP . 26.3 mt -68.3 -45.25 73.55 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 109.322 -0.622 . . . . 74.43 109.322 173.557 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 35.5 t70 -61.35 -37.43 83.3 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 114.623 -1.171 . . . . 51.4 110.401 178.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 8.7 t30 -63.02 -53.05 59.94 Favored 'General case' 0 C--N 1.349 0.554 0 O-C-N 124.33 1.019 . . . . 73.24 110.011 175.547 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 52.2 t80 -59.49 -60.67 3.47 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 123.705 0.628 . . . . 74.21 110.314 -178.137 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -44.53 -55.26 5.26 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.257 1.423 . . . . 63.14 112.646 176.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -64.37 -56.27 15.51 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.089 0.556 . . . . 74.32 112.323 -177.268 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1018 ' ' LYS . . . . . 0.523 ' HE2' ' HA ' ' A' 1018 ' ' LYS . 9.7 mmpt? -63.27 -39.63 95.13 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.266 0.626 . . . . 63.43 111.557 -175.266 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1019 ' ' MET . . . . . 0.534 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.0 OUTLIER -79.08 -22.66 44.94 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.056 -0.52 . . . . 62.23 110.68 -176.68 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -67.34 -36.7 81.97 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.52 0.328 . . . . 33.21 110.232 166.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 79.8 mt -77.41 -20.41 54.66 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 118.336 -0.84 . . . . 32.13 112.717 179.349 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1022 ' ' LEU . . . . . 0.534 ' HG ' ' HA ' ' A' 1019 ' ' MET . 47.4 mt . . . . . 0 N--CA 1.5 2.048 0 C-N-CA 123.413 0.685 . . . . 71.43 111.727 174.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.8 m . . . . . 0 N--CA 1.485 1.276 0 CA-C-O 120.72 0.295 . . . . 75.55 111.393 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p -62.11 -46.41 89.19 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.418 1.087 . . . . 75.44 111.643 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 78.2 m -56.24 -57.82 10.59 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 124.833 1.253 . . . . 74.21 111.176 178.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.5 t -58.16 -45.16 88.76 Favored 'Isoleucine or valine' 0 C--N 1.35 0.605 0 C-N-CA 123.576 0.75 . . . . 62.55 110.775 -178.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.0 -55.66 31.32 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 115.762 -0.654 . . . . 70.3 110.5 -176.411 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -59.84 -52.22 66.36 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 124.821 1.249 . . . . 73.44 111.493 -175.529 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.472 HG23 ' HE1' ' A' ' 67' ' ' TYR . 93.1 mt -61.46 -50.5 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 123.681 0.792 . . . . 71.11 111.176 -177.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -67.73 -32.73 73.56 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.158 0.583 . . . . 71.02 111.741 -173.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.439 ' O ' HG13 ' A' ' 14' ' ' ILE . 99.2 mtt180 -66.92 -52.86 38.02 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 109.857 -0.423 . . . . 74.3 109.857 174.726 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -59.67 -35.11 73.8 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 112.04 0.385 . . . . 64.11 112.04 177.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.436 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 47.2 tt0 -63.05 -50.38 70.85 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.968 0.907 . . . . 74.51 109.858 179.262 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.3 tpt180 -55.44 -45.94 76.78 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 124.607 1.192 . . . . 72.53 110.415 177.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 10' ' ' ARG . 80.7 mt -63.36 -37.68 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 123.942 0.897 . . . . 64.35 111.232 -178.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.33 -42.3 93.04 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.038 0.535 . . . . 64.51 110.858 177.187 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 81.2 mt -70.26 -34.04 72.33 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.561 0.744 . . . . 52.33 111.003 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.592 HD13 ' HA ' ' A' ' 40' ' ' TYR . 80.1 mt -66.1 -60.39 2.86 Favored 'General case' 0 C--O 1.206 -1.219 0 C-N-CA 123.673 0.789 . . . . 72.43 109.301 177.136 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.1 p -57.27 -34.9 69.11 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.943 0.897 . . . . 52.33 111.953 -178.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -62.73 -54.08 44.66 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.95 0.9 . . . . 61.02 111.406 175.032 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.546 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 73.2 p -63.82 -42.72 97.6 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.877 -0.601 . . . . 73.44 110.285 -178.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.51 HD23 HD12 ' A' ' 24' ' ' LEU . 98.7 mt -63.43 -38.66 92.0 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.329 1.451 . . . . 61.55 110.967 179.138 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.455 HD22 ' HA ' ' A' ' 74' ' ' ASN . 48.4 tp -61.8 -47.52 84.76 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 123.631 0.582 . . . . 54.44 109.54 176.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.485 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 38.5 tt0 -59.14 -40.97 87.12 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 124.46 1.1 . . . . 65.42 110.467 178.212 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 20' ' ' SER . 91.3 mt -58.7 -49.36 77.85 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.227 0.611 . . . . 74.12 110.165 178.286 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.57 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -63.6 -35.85 81.87 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.439 0.695 . . . . 72.51 111.992 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -71.56 -28.17 63.67 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 123.59 0.756 . . . . 55.12 111.203 177.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 29.7 mmt180 -91.62 -19.45 22.69 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 123.511 0.724 . . . . 73.02 111.631 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.32 17.21 51.07 Favored Glycine 0 N--CA 1.474 1.178 0 N-CA-C 113.597 0.199 . . . . 72.13 113.597 -176.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -84.77 92.62 8.27 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.029 0.932 . . . . 64.13 110.463 174.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 29.7 m95 -89.74 -23.03 21.9 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.045 0.938 . . . . 75.31 111.793 -177.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -71.18 -52.78 17.27 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-N 117.628 0.195 . . . . 73.31 110.868 -177.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 68.1 mt -66.01 -25.1 66.92 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.032 0.133 . . . . 73.43 110.912 176.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.454 HD12 HD22 ' A' ' 21' ' ' LEU . 17.1 tp -65.55 -46.25 80.25 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 123.714 0.634 . . . . 54.34 109.926 175.685 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.3 mt -74.38 -25.41 59.47 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.951 0.9 . . . . 74.35 112.026 178.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -78.56 -40.95 33.34 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 121.551 0.691 . . . . 75.45 110.167 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -87.58 -10.09 52.52 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.511 1.124 . . . . 52.12 111.815 176.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -45.39 -60.24 2.26 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 124.207 1.003 . . . . 73.42 111.067 171.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.4 m -65.74 -29.08 45.85 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-N 114.633 -1.167 . . . . 75.41 112.083 -175.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.0 m -68.79 -44.84 72.77 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.384 0.674 . . . . 61.41 110.487 177.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.592 ' HA ' HD13 ' A' ' 17' ' ' LEU . 54.2 t80 -65.75 -47.41 75.35 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.189 0.996 . . . . 75.43 110.588 -178.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 76.7 mt -68.94 -34.47 75.41 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 123.924 0.765 . . . . 53.42 110.902 -177.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -62.91 -45.21 93.56 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 122.912 0.485 . . . . 64.41 110.776 174.153 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 42.1 m -64.52 -37.0 86.02 Favored 'General case' 0 CA--C 1.551 1.015 0 CA-C-N 115.615 -0.72 . . . . 50.53 111.306 179.144 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.0 mt -57.2 -50.85 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.521 1.128 . . . . 72.34 110.578 173.453 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 45.6 mt-10 -57.78 -56.1 26.32 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-N 114.658 -1.156 . . . . 74.14 110.545 -179.467 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.0 t -66.72 -33.14 74.98 Favored 'General case' 0 CA--C 1.55 0.943 0 O-C-N 123.415 0.447 . . . . 52.1 111.913 -172.153 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.7 p -74.4 -33.61 33.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 O-C-N 121.955 -0.465 . . . . 41.1 110.76 178.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 45.5 ttm -76.2 -22.04 55.75 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 116.043 -0.526 . . . . 63.32 110.116 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 23.6 mm-40 . . . . . 0 N--CA 1.474 0.75 0 C-N-CA 123.28 0.632 . . . . 71.5 110.392 170.261 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.472 0.651 0 N-CA-C 112.046 0.387 . . . . 63.44 112.046 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.623 HH21 ' HB3' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -52.66 -40.06 62.47 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.512 1.125 . . . . 75.32 111.637 -173.055 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 59.5 p -59.95 -57.29 13.49 Favored 'General case' 0 C--O 1.25 1.083 0 C-N-CA 123.434 0.694 . . . . 70.12 111.657 -178.584 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.1 mt -61.09 -54.07 40.45 Favored 'Isoleucine or valine' 0 C--N 1.359 1.004 0 C-N-CA 123.392 0.677 . . . . 54.33 109.278 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -52.16 -40.84 61.98 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.758 1.223 . . . . 60.15 112.291 -177.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.623 ' HB3' HH21 ' A' ' 58' ' ' ARG . 34.2 t70 -77.87 -38.74 45.29 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.381 0.672 . . . . 74.54 111.633 -175.526 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 63.4 mtm -65.94 -45.58 81.3 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 109.835 -0.432 . . . . 73.11 109.835 175.328 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.8 t -61.86 -41.49 90.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 124.68 1.192 . . . . 62.12 110.745 175.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' A' ' 69' ' ' LYS . . . -64.95 -31.98 73.48 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 122.96 0.504 . . . . 73.01 109.944 176.554 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.04 -45.66 95.1 Favored Glycine 0 C--N 1.35 1.355 0 N-CA-C 111.472 -0.651 . . . . 71.24 111.472 173.25 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.472 ' HE1' HG23 ' A' ' 8' ' ' ILE . 16.0 m-85 -69.2 -32.34 71.54 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.206 0.602 . . . . 62.1 111.471 178.336 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.0 mt -69.74 -46.69 73.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.396 1.079 . . . . 75.24 110.286 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 14.6 mmmm -71.84 -31.88 66.95 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.541 -0.299 . . . . 71.1 110.615 179.562 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -56.87 -59.41 5.08 Favored 'General case' 0 C--N 1.358 0.951 0 O-C-N 123.78 0.675 . . . . 64.13 109.408 169.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.4 t -69.81 -34.87 74.28 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 115.947 -0.569 . . . . 70.11 111.965 -169.446 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 53.3 mt -72.55 -36.89 68.36 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 122.957 0.503 . . . . 63.4 111.67 178.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -72.73 -45.54 58.19 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-O 121.058 0.456 . . . . 75.43 109.957 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.455 ' HA ' HD22 ' A' ' 22' ' ' LEU . 11.5 m120 -66.86 -36.41 82.25 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.367 -0.833 . . . . 54.32 110.92 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.449 ' HG2' ' HD2' ' A' ' 79' ' ' LYS . 39.4 tt0 -70.72 -37.78 73.55 Favored 'General case' 0 C--O 1.209 -1.043 0 O-C-N 123.752 0.658 . . . . 64.13 110.295 175.475 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -64.03 -42.04 97.22 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 121.234 0.54 . . . . 43.0 110.233 -179.427 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.5 mt -68.52 -36.57 79.05 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.1 -0.955 . . . . 63.43 110.956 174.223 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.9 mt -59.07 -64.06 1.08 Allowed 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.498 0.719 . . . . 72.12 110.818 174.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.449 ' HD2' ' HG2' ' A' ' 75' ' ' GLU . 10.9 ptmt -65.71 -29.06 69.54 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.34 1.056 . . . . 74.0 111.187 -172.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.85 -62.77 5.38 Favored Glycine 0 C--N 1.352 1.444 0 O-C-N 124.085 0.866 . . . . 53.52 111.799 169.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.57 HD22 ' HB1' ' A' ' 25' ' ' ALA . 9.1 tt -56.76 -42.15 78.85 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.766 0.826 . . . . 53.41 110.885 -178.012 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 40.3 mt -71.2 -44.58 65.13 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 114.852 -1.067 . . . . 73.04 111.351 -173.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.418 ' HG3' ' N ' ' A' ' 84' ' ' GLN . 4.0 pt20 -67.8 -39.31 84.02 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 109.606 -0.516 . . . . 64.51 109.606 179.304 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.418 ' N ' ' HG3' ' A' ' 83' ' ' GLN . 20.2 mm-40 -59.1 -45.22 91.44 Favored 'General case' 0 C--N 1.361 1.106 0 O-C-N 123.88 0.737 . . . . 74.34 110.446 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.429 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 50.4 ttt-85 -72.24 -35.83 68.92 Favored 'General case' 0 C--O 1.212 -0.91 0 CA-C-N 115.09 -0.959 . . . . 63.02 110.269 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.453 HD11 ' HB3' ' A' 1005 ' ' LEU . 75.6 mt -69.41 -25.31 64.08 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-O 119.199 -0.429 . . . . 74.14 110.438 176.066 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -68.45 -44.23 75.35 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.587 0.755 . . . . 63.31 109.01 173.032 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -59.22 -60.75 3.36 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 115.08 -0.964 . . . . 74.41 110.06 175.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 86.0 mt -56.35 -40.5 74.6 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.196 1.398 . . . . 74.4 111.839 -176.665 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 93.4 p . . . . . 0 CA--C 1.545 0.776 0 C-N-CA 122.521 0.328 . . . . 61.32 110.86 179.634 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 48.7 ttp . . . . . 0 N--CA 1.477 0.909 0 CA-C-O 120.426 0.155 . . . . 73.41 111.276 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 62.9 p -66.16 -54.06 29.93 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 116.274 -0.421 . . . . 65.22 111.42 -174.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 66.6 p -61.46 -43.55 98.67 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.019 0.528 . . . . 71.33 111.821 -173.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -70.5 -44.05 68.43 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 123.362 0.414 . . . . 71.5 111.053 -178.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1005 ' ' LEU . . . . . 0.538 ' O ' ' HG ' ' A' 1009 ' ' LEU . 40.3 mt -66.07 -39.17 89.86 Favored 'General case' 0 C--N 1.357 0.923 0 O-C-N 123.264 0.352 . . . . 71.21 111.675 178.685 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 66.5 p -69.27 -38.56 78.46 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 118.14 0.427 . . . . 73.41 110.86 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -65.87 -35.2 79.98 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.398 0.679 . . . . 73.32 110.392 173.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1008 ' ' TRP . . . . . 0.555 ' O ' ' HG ' ' A' 1012 ' ' LEU . 0.3 OUTLIER -65.58 -41.34 92.98 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 114.916 -1.038 . . . . 72.24 109.658 175.877 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1009 ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' 1005 ' ' LEU . 88.6 mt -71.65 -30.82 66.16 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.145 0.578 . . . . 74.05 109.571 -178.351 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 64.9 m -64.85 -44.81 88.57 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.44 1.096 . . . . 53.4 110.167 173.221 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -71.48 -29.13 64.48 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.54 0.736 . . . . 41.02 111.468 179.284 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1012 ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' 1008 ' ' TRP . 22.7 mt -70.04 -44.13 69.85 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 109.268 -0.641 . . . . 52.35 109.268 176.399 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 31.0 t70 -62.27 -40.12 95.18 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.067 0.947 . . . . 73.4 110.492 178.284 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -62.37 -51.11 68.88 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 115.267 -0.879 . . . . 44.01 110.724 177.199 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 46.1 t80 -57.4 -60.44 3.63 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 123.973 0.795 . . . . 73.45 110.075 178.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -41.87 -54.88 3.27 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.637 1.575 . . . . 70.3 111.983 177.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1017 ' ' ALA . . . . . 0.409 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -60.76 -60.0 4.5 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 124.075 0.859 . . . . 64.11 112.468 -178.16 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -70.67 -30.58 67.22 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.283 0.633 . . . . 75.04 111.867 -170.419 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1019 ' ' MET . . . . . 0.495 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.0 OUTLIER -80.71 -28.22 36.72 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 116.229 -0.441 . . . . 71.15 110.025 -179.111 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -67.27 -37.13 82.96 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 109.359 -0.608 . . . . 64.23 109.359 168.34 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1021 ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' 1017 ' ' ALA . 91.7 mt -71.8 -23.28 61.53 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 118.43 -0.795 . . . . 74.24 112.315 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1022 ' ' LEU . . . . . 0.495 ' HG ' ' HA ' ' A' 1019 ' ' MET . 62.2 mt . . . . . 0 N--CA 1.494 1.752 0 O-C-N 123.727 0.642 . . . . 74.21 110.835 171.115 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.1 p . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.432 0.158 . . . . 72.25 111.264 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.2 t -59.37 -46.97 87.18 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.369 0.668 . . . . 75.41 110.553 174.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.3 m -57.74 -54.33 48.05 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.382 1.073 . . . . 50.41 111.891 178.398 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 84.8 t -59.09 -57.01 13.25 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 O-C-N 123.943 0.777 . . . . 73.34 109.842 -176.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -57.6 -45.03 85.82 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 123.801 0.688 . . . . 73.52 111.196 -178.144 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -60.26 -55.28 35.62 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.425 0.69 . . . . 73.35 111.157 -175.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.66 HD11 HG12 ' A' ' 60' ' ' ILE . 74.5 mt -64.16 -42.29 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 123.448 0.699 . . . . 74.32 111.088 -178.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -67.15 -37.2 83.37 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.047 0.539 . . . . 74.03 110.853 -177.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.55 ' HD3' HG23 ' A' ' 46' ' ' THR . 91.3 mtt180 -71.68 -47.76 51.97 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.704 0.402 . . . . 71.22 110.012 -179.536 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -57.93 -38.66 76.33 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 123.146 0.279 . . . . 71.41 111.121 174.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.469 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 57.8 tt0 -58.48 -57.73 11.64 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 123.795 0.685 . . . . 74.31 109.977 177.37 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.438 ' HG2' ' HA ' ' A' ' 10' ' ' ARG . 12.1 ptm180 -66.22 -25.92 67.14 Favored 'General case' 0 C--O 1.212 -0.879 0 O-C-N 123.644 0.59 . . . . 60.21 111.79 -175.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 10' ' ' ARG . 88.3 mt -70.15 -41.82 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 C-N-CA 123.176 0.59 . . . . 73.11 110.13 176.003 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.5 -41.26 89.13 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.65 0.38 . . . . 41.45 110.647 176.192 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 82.6 mt -66.51 -42.58 87.11 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.517 0.727 . . . . 62.0 110.393 179.301 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 40' ' ' TYR . 37.5 mt -67.05 -46.43 74.42 Favored 'General case' 0 C--O 1.207 -1.172 0 C-N-CA 123.076 0.551 . . . . 61.11 110.061 178.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.1 p -64.14 -38.96 92.96 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 117.867 0.303 . . . . 75.11 111.447 -176.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -76.48 -35.62 58.29 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 123.077 0.236 . . . . 71.53 111.463 -179.241 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 86.5 p -69.82 -50.95 37.89 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 109.695 -0.483 . . . . 64.13 109.695 178.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.465 HD13 ' HH2' ' A' 1008 ' ' TRP . 91.3 mt -57.89 -34.29 69.64 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.745 1.218 . . . . 74.42 111.303 174.204 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 36.6 tp -63.09 -50.36 70.84 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 110.131 -0.322 . . . . 73.24 110.131 175.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -65.77 -24.8 67.02 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 123.694 0.621 . . . . 73.33 111.319 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.451 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 97.0 mt -77.07 -33.36 57.13 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.581 0.752 . . . . 71.21 110.468 173.164 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.578 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -71.39 -31.0 66.79 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.111 0.564 . . . . 74.2 109.902 176.628 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -73.42 -36.91 66.04 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.984 0.914 . . . . 74.11 109.923 172.022 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.464 ' HB3' ' HG2' ' A' ' 29' ' ' GLU . 9.7 tpp180 -77.44 -17.36 58.16 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.825 0.85 . . . . 75.55 111.768 -178.575 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.09 18.08 65.75 Favored Glycine 0 C--N 1.348 1.198 0 CA-C-N 116.614 -0.267 . . . . 74.22 113.698 -178.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.464 ' HG2' ' HB3' ' A' ' 27' ' ' ARG . 28.5 mm-40 -79.85 69.49 6.21 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.086 0.954 . . . . 65.25 111.335 178.539 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 31.9 m95 -64.81 -32.07 73.59 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.71 0.804 . . . . 65.31 110.417 -177.541 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -63.11 -49.28 75.07 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.244 1.017 . . . . 74.43 110.859 177.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.4 mt -67.37 -30.39 70.17 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.022 0.529 . . . . 54.31 111.292 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 81.9 mt -64.71 -49.69 69.88 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 122.778 0.431 . . . . 73.52 110.498 174.108 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.558 HD21 ' HG ' ' A' 1005 ' ' LEU . 85.7 mt -73.3 -22.04 60.44 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.235 0.614 . . . . 71.53 112.385 -176.432 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -77.31 -50.83 11.98 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.281 0.562 . . . . 62.22 109.841 176.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.46 ' HB2' HD21 ' A' ' 21' ' ' LEU . 48.5 mt-30 -76.17 -9.77 58.89 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.441 1.096 . . . . 63.3 112.145 177.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -42.14 -60.62 1.39 Allowed 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.756 1.222 . . . . 64.15 112.025 176.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.1 p -59.4 -34.69 55.13 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 123.483 0.713 . . . . 65.22 111.574 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.9 m -73.07 -42.02 63.48 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.686 0.795 . . . . 73.43 112.129 -174.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.409 ' HA ' HD13 ' A' ' 17' ' ' LEU . 31.3 t80 -72.25 -42.19 65.92 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.245 0.618 . . . . 74.15 110.205 179.098 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.4 mt -67.73 -30.41 69.89 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 116.092 -0.504 . . . . 74.3 110.499 176.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -67.13 -46.29 74.56 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.522 0.729 . . . . 52.14 110.475 176.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.4 p -65.07 -38.75 91.8 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 116.364 -0.38 . . . . 74.31 110.887 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.6 mt -57.63 -58.53 5.79 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 124.201 1.0 . . . . 61.03 110.947 175.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.96 -37.47 87.55 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 115.707 -0.678 . . . . 64.31 110.837 -174.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.55 HG23 ' HD3' ' A' ' 10' ' ' ARG . 6.2 t -76.33 -30.53 57.71 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-O 119.283 -0.389 . . . . 64.03 111.767 -175.15 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.1 p -75.82 -29.43 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 CA-C-N 118.446 0.566 . . . . 64.44 110.081 175.265 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 39.0 ttm -78.11 -23.65 47.81 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 115.728 -0.669 . . . . 50.32 110.634 177.144 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 . . . . . 0 N--CA 1.484 1.238 0 C-N-CA 123.405 0.682 . . . . 71.32 110.601 168.321 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 111.734 0.272 . . . . 63.42 111.734 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 44.8 mtm105 -54.1 -45.71 71.9 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.89 0.876 . . . . 75.2 112.125 -175.038 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.2 m -58.8 -54.91 41.8 Favored 'General case' 0 C--O 1.243 0.715 0 O-C-N 123.951 0.782 . . . . 73.03 111.352 -174.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.66 HG12 HD11 ' A' ' 8' ' ' ILE . 64.4 mt -61.25 -55.15 26.47 Favored 'Isoleucine or valine' 0 C--N 1.353 0.721 0 O-C-N 123.747 0.655 . . . . 72.32 109.746 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -55.01 -35.78 64.75 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.981 0.913 . . . . 73.31 111.741 -176.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -72.33 -58.26 3.54 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.208 0.603 . . . . 54.42 110.208 -179.354 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 75.1 mtm -56.43 -47.78 78.38 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 124.069 0.855 . . . . 73.51 110.376 -177.127 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.5 t -59.06 -48.06 87.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-N 114.57 -1.195 . . . . 75.22 111.435 176.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.12 -27.8 69.19 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 122.784 0.433 . . . . 74.52 111.701 178.445 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.07 -51.84 26.34 Favored Glycine 0 C--N 1.346 1.126 0 N-CA-C 111.156 -0.778 . . . . 72.12 111.156 174.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -61.72 -33.02 73.28 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.702 0.801 . . . . 74.42 111.126 177.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.424 HG23 ' HE1' ' A' 1019 ' ' MET . 14.2 mt -63.17 -57.73 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.013 1.325 . . . . 72.33 109.781 177.242 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -57.7 -46.14 84.75 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 123.94 0.775 . . . . 61.21 110.001 -177.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -55.94 -56.88 15.37 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 124.185 0.928 . . . . 62.3 110.889 178.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.3 t -67.11 -26.18 66.57 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 111.924 0.342 . . . . 74.15 111.924 -172.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.659 HD11 ' SD ' ' A' 1019 ' ' MET . 81.6 mt -76.16 -34.19 59.37 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.1 0.56 . . . . 63.21 111.553 176.6 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -72.87 -44.68 61.05 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-O 121.268 0.556 . . . . 73.51 110.222 175.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -71.06 -27.93 63.99 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.096 -0.956 . . . . 61.1 110.771 -179.492 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.47 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 37.7 tt0 -78.83 -36.46 42.52 Favored 'General case' 0 C--O 1.21 -1.026 0 C-N-CA 122.693 0.397 . . . . 73.13 110.157 174.32 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -57.38 -43.05 83.28 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-O 121.383 0.611 . . . . 75.34 109.422 173.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.3 mt -72.48 -36.61 68.49 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 114.652 -1.158 . . . . 75.42 111.844 176.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.47 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 6.1 mt -68.78 -65.23 0.73 Allowed 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 123.189 0.596 . . . . 72.33 110.196 177.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.545 ' HA ' HD22 ' A' 1009 ' ' LEU . 36.1 ttpt -54.29 -36.68 63.94 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.996 1.718 . . . . 53.43 111.737 178.549 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.74 -50.9 38.86 Favored Glycine 0 C--N 1.348 1.223 0 O-C-N 123.673 0.608 . . . . 75.4 113.452 175.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.578 HD22 ' HB1' ' A' ' 25' ' ' ALA . 10.0 tt -61.97 -52.56 63.51 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.872 0.869 . . . . 62.15 109.96 -178.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.402 HD13 ' HE1' ' A' 1008 ' ' TRP . 41.7 mt -62.04 -39.18 91.49 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 114.401 -1.272 . . . . 74.21 111.952 -178.202 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -64.74 -47.11 79.44 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 110.083 -0.34 . . . . 55.1 110.083 176.154 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -62.52 -36.21 81.86 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.839 0.712 . . . . 74.33 110.999 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.446 ' NH1' HD11 ' A' ' 89' ' ' LEU . 3.9 tmt_? -76.81 -31.77 57.17 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 115.24 -0.891 . . . . 71.52 109.384 -177.275 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.578 HD11 ' HB3' ' A' 1005 ' ' LEU . 86.3 mt -75.84 -30.13 58.84 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.235 0.614 . . . . 74.21 110.628 173.553 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -60.79 -46.46 90.41 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 108.014 -1.106 . . . . 74.12 108.014 173.436 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -60.84 -60.56 3.59 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 114.05 -1.432 . . . . 63.33 110.469 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.474 HD12 HD23 ' A' ' 86' ' ' LEU . 91.9 mt -49.93 -53.28 27.19 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 123.997 0.919 . . . . 72.32 111.769 -178.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.1 m . . . . . 0 CA--C 1.547 0.862 0 CA-C-N 115.423 -0.808 . . . . 73.3 111.643 -175.829 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 37.6 ttp . . . . . 0 N--CA 1.484 1.252 0 N-CA-C 111.9 0.333 . . . . 65.51 111.9 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 30.7 p -65.89 -53.95 32.9 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 119.016 -0.516 . . . . 72.4 111.346 -178.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 98.0 m -57.26 -46.0 83.47 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-O 120.85 0.357 . . . . 64.2 111.415 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 73.1 mtt-85 -55.83 -63.5 1.16 Allowed 'General case' 0 C--N 1.345 0.406 0 CA-C-N 114.759 -1.109 . . . . 74.01 110.936 178.568 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1005 ' ' LEU . . . . . 0.578 ' HB3' HD11 ' A' ' 86' ' ' LEU . 36.8 mt -61.88 -41.79 98.29 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 123.991 0.807 . . . . 75.43 112.069 -174.15 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 44.2 p -61.25 -52.61 64.02 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 117.953 0.342 . . . . 62.15 110.986 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 28.2 ttt180 -66.47 -26.17 67.06 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.836 0.454 . . . . 73.12 110.983 178.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1008 ' ' TRP . . . . . 0.499 ' O ' ' HG ' ' A' 1012 ' ' LEU . 0.0 OUTLIER -71.49 -36.13 71.01 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.887 0.875 . . . . 70.41 109.545 175.898 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1009 ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' 1005 ' ' LEU . 84.6 mt -73.38 -31.46 63.93 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 109.123 -0.695 . . . . 70.15 109.123 179.714 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 96.4 m -65.58 -44.76 85.69 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 114.607 -1.179 . . . . 54.43 110.344 172.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -71.25 -28.91 64.5 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.638 0.775 . . . . 73.2 111.097 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1012 ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' 1008 ' ' TRP . 19.0 mt -70.33 -48.65 55.51 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 115.731 -0.668 . . . . 73.23 109.319 175.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 22.1 t70 -73.7 -22.32 59.96 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.92 -0.582 . . . . 75.24 110.938 -177.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -68.92 -43.96 74.09 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.387 -0.597 . . . . 74.14 109.387 170.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 50.4 t80 -56.35 -57.76 10.87 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 123.871 0.732 . . . . 74.01 109.525 173.223 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -43.7 -52.15 6.69 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.251 1.42 . . . . 61.04 112.207 176.391 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1017 ' ' ALA . . . . . 0.42 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -62.31 -61.67 2.29 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.631 0.773 . . . . 75.24 111.534 -178.448 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 18.5 mmmt -57.81 -40.85 80.94 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.065 1.346 . . . . 62.41 112.511 -177.162 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1019 ' ' MET . . . . . 0.659 ' SD ' HD11 ' A' ' 72' ' ' LEU . 1.3 ppp? -79.18 -30.32 43.41 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.846 -0.615 . . . . 70.33 109.653 -172.552 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -66.84 -31.31 71.84 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 123.127 0.267 . . . . 71.43 110.471 169.344 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1021 ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' 1017 ' ' ALA . 96.1 mt -70.56 -29.95 66.54 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-O 118.379 -0.819 . . . . 54.15 111.77 175.115 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1022 ' ' LEU . . . . . 0.523 ' HG ' ' HA ' ' A' 1019 ' ' MET . 94.5 mt . . . . . 0 N--CA 1.505 2.322 0 CA-C-N 118.211 0.459 . . . . 71.22 111.252 175.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ptt? . . . . . 0 N--CA 1.483 1.204 0 N-CA-C 110.623 -0.14 . . . . 71.44 110.623 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.5 p -55.77 -45.93 78.04 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 112.878 0.696 . . . . 64.22 112.878 -175.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m -67.52 -34.35 76.92 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 122.596 0.358 . . . . 75.44 111.596 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.9 m -62.08 -51.91 66.03 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.754 0.822 . . . . 65.2 110.333 175.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 79.0 t -60.34 -51.68 70.15 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 O-C-N 124.047 0.842 . . . . 60.41 110.048 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -57.33 -47.17 82.25 Favored 'General case' 0 C--O 1.214 -0.799 0 O-C-N 123.547 0.529 . . . . 75.51 111.324 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.404 ' HZ ' HG23 ' A' 1025 ' ' VAL . 22.4 t80 -59.16 -55.01 40.42 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 122.924 0.49 . . . . 73.1 110.859 -176.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 65.1 mt -68.29 -42.61 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 123.56 0.744 . . . . 74.54 111.392 -176.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.519 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 7.1 m-80 -64.97 -43.74 91.65 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.555 0.742 . . . . 70.3 110.867 -179.411 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.591 ' HD3' HG23 ' A' ' 46' ' ' THR . 94.2 mtt180 -66.49 -44.58 82.23 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 118.806 -0.616 . . . . 72.31 110.203 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 35.3 m95 -57.85 -38.21 75.28 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 123.362 0.414 . . . . 74.51 111.075 173.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.422 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 63.9 tt0 -64.83 -42.58 94.84 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 123.682 0.793 . . . . 74.23 109.922 177.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.519 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 66.8 mmt-85 -65.62 -42.74 91.19 Favored 'General case' 0 C--O 1.211 -0.924 0 O-C-N 123.433 0.458 . . . . 73.41 110.076 -179.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 10' ' ' ARG . 83.0 mt -64.25 -39.43 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 124.006 0.922 . . . . 74.25 110.458 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.14 -45.33 85.44 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.81 0.844 . . . . 73.2 110.861 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 90.2 mt -71.36 -36.45 71.48 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.649 0.78 . . . . 64.43 110.775 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.2 mt -65.95 -52.9 45.56 Favored 'General case' 0 C--O 1.212 -0.875 0 C-N-CA 123.444 0.698 . . . . 65.32 109.564 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.2 p -62.8 -36.33 82.77 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 123.803 0.689 . . . . 75.52 110.955 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -61.96 -49.91 74.24 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 123.751 0.657 . . . . 73.12 110.517 174.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.4 m -60.4 -47.96 83.83 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 123.825 0.703 . . . . 65.04 110.813 179.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.537 HD13 ' HH2' ' A' 1008 ' ' TRP . 79.4 mt -65.58 -32.5 74.12 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.463 1.105 . . . . 73.41 110.518 -177.515 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.513 HD22 ' HA ' ' A' ' 74' ' ' ASN . 34.3 tp -64.26 -51.66 62.5 Favored 'General case' 0 C--N 1.352 0.675 0 O-C-N 123.78 0.675 . . . . 73.5 109.844 175.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.545 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 37.4 mm-40 -57.44 -47.77 80.92 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 124.203 0.939 . . . . 55.13 110.427 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.477 HD13 ' HB2' ' A' ' 32' ' ' LEU . 43.2 mt -59.59 -41.5 90.42 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 115.285 -0.87 . . . . 64.23 111.316 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.84 81.7 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.935 0.494 . . . . 61.2 111.005 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -72.16 -27.22 62.45 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.557 0.743 . . . . 60.2 110.917 176.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.545 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 7.4 mmm180 -94.94 -10.02 32.34 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 122.86 0.464 . . . . 71.53 112.032 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.78 11.63 67.81 Favored Glycine 0 C--N 1.345 1.059 0 N-CA-C 114.269 0.468 . . . . 62.44 114.269 178.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -84.37 80.55 9.17 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.614 0.766 . . . . 64.52 110.227 178.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 29.3 m95 -77.21 -19.26 56.93 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 123.729 0.811 . . . . 73.15 111.578 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -59.28 -50.75 72.81 Favored 'General case' 0 C--O 1.245 0.821 0 C-N-CA 125.198 1.399 . . . . 72.32 111.495 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.477 ' HB2' HD13 ' A' ' 24' ' ' LEU . 93.5 mt -74.27 -19.13 60.6 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.212 -0.904 . . . . 74.13 111.282 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.478 ' HA ' HD22 ' A' ' 21' ' ' LEU . 9.9 mp -66.54 -49.29 66.96 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 109.307 -0.627 . . . . 75.52 109.307 169.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.3 -34.61 78.07 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 124.063 0.852 . . . . 53.25 111.676 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -74.13 -56.16 5.24 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.126 0.571 . . . . 70.1 110.979 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.516 ' HB2' HD21 ' A' ' 21' ' ' LEU . 87.2 mt-30 -77.56 -8.3 57.61 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.369 1.068 . . . . 50.12 112.253 -176.292 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -43.61 -61.16 1.48 Allowed 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.927 1.291 . . . . 71.03 112.288 172.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.5 p -61.83 -33.42 57.77 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 O-C-N 123.935 0.772 . . . . 61.21 110.937 -177.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.5 m -64.18 -46.58 83.38 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.726 0.81 . . . . 75.53 110.885 177.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -68.85 -48.35 63.68 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 114.835 -1.075 . . . . 72.22 110.574 -174.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 80.7 mt -66.67 -38.08 86.09 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 124.14 0.9 . . . . 52.32 110.558 -178.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -58.91 -51.74 68.75 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 123.196 0.599 . . . . 73.13 110.644 174.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.2 m -59.23 -41.32 88.4 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.697 0.799 . . . . 73.33 111.385 -178.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.432 ' O ' HG12 ' A' ' 47' ' ' VAL . 19.8 mt -54.56 -56.53 9.79 Favored 'Isoleucine or valine' 0 C--O 1.252 1.19 0 C-N-CA 124.774 1.23 . . . . 60.31 111.116 174.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.507 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 50.6 mt-10 -64.34 -44.25 92.08 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 114.98 -1.009 . . . . 73.14 110.846 -174.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.591 HG23 ' HD3' ' A' ' 10' ' ' ARG . 11.3 t -72.43 -30.79 64.92 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 123.404 0.44 . . . . 71.04 111.964 -173.367 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 44' ' ' ILE . 5.9 p -73.75 -33.69 38.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 N-CA-C 109.587 -0.523 . . . . 73.44 109.587 174.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 41.7 ttm -72.44 -23.73 61.11 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 115.993 -0.549 . . . . 70.13 110.61 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 9.8 mm-40 -69.02 -24.23 64.18 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.891 0.476 . . . . 63.23 111.047 170.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -83.93 72.42 10.43 Favored 'General case' 0 C--N 1.347 0.467 0 N-CA-C 109.404 -0.591 . . . . 74.42 109.404 175.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -72.24 104.43 3.68 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 108.917 -0.771 . . . . 63.14 108.917 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.7 p -78.27 147.42 72.55 Favored Pre-proline 0 N--CA 1.475 0.791 0 C-N-CA 123.364 0.666 . . . . 64.31 110.652 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -58.71 156.55 31.84 Favored 'Trans proline' 0 C--N 1.378 2.083 0 C-N-CA 123.049 2.499 . . . . 61.34 113.264 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -51.26 -46.36 31.74 Favored 'Trans proline' 0 C--N 1.383 2.36 0 C-N-CA 123.561 2.841 . . . . 64.42 112.259 176.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -83.69 64.07 4.35 Favored Glycine 0 C--N 1.346 1.105 0 O-C-N 123.824 0.703 . . . . 62.01 112.532 176.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.4 tp -67.44 149.5 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 N-CA-C 109.273 -0.639 . . . . 63.4 109.273 172.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 80.7 p -84.83 159.18 20.46 Favored 'General case' 0 C--O 1.246 0.885 0 C-N-CA 123.154 0.582 . . . . 71.04 111.002 -176.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -51.94 -68.73 0.15 Allowed 'General case' 0 C--N 1.357 0.913 0 C-N-CA 124.837 1.255 . . . . 72.32 112.913 -172.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.2 m -55.9 -44.69 78.46 Favored 'General case' 0 C--O 1.249 1.071 0 O-C-N 124.342 1.026 . . . . 63.25 112.498 -172.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 62.9 mt -58.78 -53.6 45.2 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 O-C-N 124.163 0.915 . . . . 72.25 109.824 178.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -62.63 -36.61 83.36 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 123.85 0.719 . . . . 75.44 111.371 -176.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -65.68 -50.04 66.37 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 122.724 0.41 . . . . 54.01 111.351 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 75.7 mtm -64.14 -46.16 85.31 Favored 'General case' 0 N--CA 1.485 1.319 0 O-C-N 123.612 0.57 . . . . 74.24 110.713 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.1 t -58.97 -47.7 88.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 124.542 1.137 . . . . 64.31 111.08 178.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.72 -32.88 74.76 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.601 0.76 . . . . 75.11 110.851 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.435 ' O ' ' HG3' ' A' ' 70' ' ' GLN . . . -62.24 -48.01 85.65 Favored Glycine 0 C--N 1.353 1.502 0 O-C-N 123.783 0.677 . . . . 21.23 111.455 172.282 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -66.29 -29.13 69.29 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.359 0.664 . . . . 74.13 111.633 178.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.4 mt -70.27 -41.61 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 124.009 0.924 . . . . 75.01 109.914 176.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -60.56 -45.24 94.64 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.507 0.323 . . . . 75.42 110.249 174.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 66' ' ' GLY . 74.9 mt-30 -56.48 -59.07 5.52 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 124.655 1.222 . . . . 61.33 110.302 178.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.407 ' OG1' HG22 ' A' ' 14' ' ' ILE . 14.6 t -68.92 -37.87 79.2 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 112.405 0.52 . . . . 73.15 112.405 -171.076 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.9 mt -70.81 -34.72 72.02 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 118.081 0.4 . . . . 73.32 111.349 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -72.02 -46.05 58.55 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 122.529 0.332 . . . . 75.54 110.512 176.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.513 ' HA ' HD22 ' A' ' 22' ' ' LEU . 94.2 m-20 -61.9 -44.79 96.08 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.425 0.69 . . . . 63.03 110.536 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.485 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 37.0 tt0 -74.28 -28.15 61.06 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 124.144 0.902 . . . . 73.3 111.068 -178.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -61.54 -51.25 69.37 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-O 121.382 0.61 . . . . 65.32 109.787 172.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.92 -41.27 97.7 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 114.421 -1.263 . . . . 74.45 110.435 178.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.485 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 30.6 mt -57.58 -45.19 85.51 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.971 0.908 . . . . 65.32 111.465 172.1 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -62.43 -52.34 63.96 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.827 0.851 . . . . 73.53 110.221 -173.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.23 -41.94 91.39 Favored Glycine 0 C--N 1.349 1.268 0 O-C-N 123.899 0.749 . . . . 62.12 113.199 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.4 tt -60.95 -52.62 64.24 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.011 0.924 . . . . 73.4 110.232 -178.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.525 HD13 ' HE1' ' A' 1008 ' ' TRP . 24.3 mt -74.16 -24.84 59.46 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.16 0.984 . . . . 73.03 111.59 -175.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.7 tm0? -65.1 -48.3 74.15 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 109.257 -0.646 . . . . 74.22 109.257 172.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -73.0 -28.38 62.34 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 115.809 -0.632 . . . . 70.11 111.453 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -72.11 -51.21 22.54 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 109.586 -0.524 . . . . 74.44 109.586 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.62 HD11 ' HB3' ' A' 1005 ' ' LEU . 84.4 mt -63.79 -30.47 71.56 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 123.532 0.52 . . . . 40.4 111.265 176.257 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -56.25 -57.45 12.19 Favored 'General case' 0 C--O 1.244 0.779 0 O-C-N 123.99 0.806 . . . . 74.34 109.641 171.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.5 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 55.3 mt-10 -60.35 -44.72 95.29 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.438 -0.801 . . . . 71.13 111.475 178.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 88.1 mt -60.73 -44.33 96.79 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.595 0.758 . . . . 53.43 111.36 -176.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 80.8 p -69.15 -30.8 69.12 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 122.661 0.384 . . . . 75.54 110.862 178.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.0 t -65.77 -33.56 76.15 Favored 'General case' 0 CA--C 1.555 1.173 0 O-C-N 123.507 0.504 . . . . 72.42 111.086 171.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 47.4 mt -73.38 -41.2 63.66 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.193 0.597 . . . . 64.1 110.168 177.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 95.4 mt -69.03 -37.02 76.52 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 C-N-CA 124.425 1.09 . . . . 72.03 111.022 -177.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -162.57 -79.58 0.03 OUTLIER Glycine 0 C--N 1.335 0.49 0 N-CA-C 110.822 -0.911 . . . . 74.31 110.822 177.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -162.77 133.36 4.7 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 108.522 -0.918 . . . . 72.21 108.522 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 12.7 p -87.83 160.47 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 N-CA-C 108.86 -0.792 . . . . 72.55 108.86 173.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -79.23 154.46 29.19 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 109.181 -0.674 . . . . 75.43 109.181 170.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -55.92 -31.71 63.13 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.606 0.762 . . . . 62.51 111.04 174.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -146.93 119.74 8.66 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.698 1.199 . . . . 62.51 108.311 174.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -163.86 67.07 0.22 Allowed Glycine 0 CA--C 1.529 0.915 0 N-CA-C 112.011 -0.436 . . . . 41.25 112.011 178.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -87.1 39.44 0.6 Allowed 'Trans proline' 0 C--N 1.379 2.138 0 C-N-CA 123.438 2.759 . . . . 54.44 112.406 -176.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 31.5 t -139.59 -177.55 5.0 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.353 0.661 . . . . 60.41 109.936 -173.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.23 83.27 5.3 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.625 0.77 . . . . 73.13 110.06 176.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -150.65 -18.95 0.07 OUTLIER Glycine 0 N--CA 1.47 0.912 0 CA-C-N 115.295 -0.866 . . . . 61.13 112.289 177.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 79.0 mt -70.69 114.83 9.18 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.419 0.688 . . . . 64.11 109.969 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 40.1 t 64.64 87.83 0.12 Allowed Pre-proline 0 CA--C 1.56 1.347 0 C-N-CA 125.152 1.381 . . . . 71.33 110.478 -175.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -69.37 -38.08 9.16 Favored 'Trans proline' 0 C--N 1.379 2.166 0 C-N-CA 123.254 2.636 . . . . 71.02 113.16 -176.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -138.06 90.6 2.5 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 108.343 -0.984 . . . . 73.53 108.343 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -68.6 -27.69 73.65 Favored Glycine 0 C--N 1.349 1.257 0 CA-C-N 115.48 -0.782 . . . . 53.14 113.428 -177.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.6 m 66.34 -73.2 0.07 Allowed 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.109 1.363 . . . . 54.14 112.027 178.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -76.77 -144.35 1.69 Allowed Glycine 0 C--N 1.353 1.52 0 N-CA-C 113.887 0.315 . . . . 53.13 113.887 -177.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.0 -28.98 74.21 Favored Glycine 0 C--N 1.347 1.15 0 N-CA-C 113.917 0.327 . . . . 54.31 113.917 -175.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 38.0 pt -68.44 -21.37 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 123.311 0.645 . . . . 75.03 112.171 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -54.4 -52.56 61.31 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.937 0.895 . . . . 61.55 110.725 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -64.67 -40.43 97.48 Favored Glycine 0 C--N 1.346 1.095 0 CA-C-N 114.667 -1.151 . . . . 45.24 112.455 -178.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 57.9 ttp -59.89 -51.05 71.38 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.645 0.778 . . . . 72.24 111.0 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 41.2 p -69.76 -51.59 32.7 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 115.801 -0.636 . . . . 72.35 110.923 -175.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 31.1 m -59.17 -43.11 92.12 Favored 'General case' 0 CA--C 1.55 0.956 0 O-C-N 123.595 0.559 . . . . 44.53 111.562 -178.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -60.32 -59.9 4.67 Favored 'General case' 0 C--N 1.358 0.948 0 O-C-N 123.628 0.58 . . . . 73.45 110.557 175.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1005 ' ' LEU . . . . . 0.62 ' HB3' HD11 ' A' ' 86' ' ' LEU . 43.2 mt -66.33 -24.78 66.58 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.282 0.845 . . . . 73.13 113.282 -173.346 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 41.4 p -76.32 -46.61 26.93 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 118.524 0.602 . . . . 62.31 110.027 175.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 45.6 ttm-85 -59.69 -34.75 73.28 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-O 121.611 0.72 . . . . 73.21 110.046 173.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1008 ' ' TRP . . . . . 0.537 ' HH2' HD13 ' A' ' 21' ' ' LEU . 5.9 t-105 -66.92 -53.24 33.91 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.169 1.388 . . . . 74.53 109.699 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1009 ' ' LEU . . . . . . . . . . . . . 62.9 mt -63.04 -36.42 83.51 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 122.966 0.507 . . . . 44.01 111.706 -178.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 9.6 t -76.16 -27.56 57.02 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 110.494 -0.188 . . . . 71.34 110.494 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -76.51 -27.47 56.02 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.098 0.559 . . . . 75.24 111.111 173.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1012 ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' 1008 ' ' TRP . 30.7 mt -69.88 -50.36 43.19 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 109.136 -0.69 . . . . 74.11 109.136 175.255 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 21.2 t70 -60.19 -36.91 78.7 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 114.741 -1.118 . . . . 62.43 110.566 177.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 7.7 t30 -62.59 -48.57 78.86 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 123.443 0.697 . . . . 72.13 110.813 175.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1015 ' ' PHE . . . . . 0.425 ' CD2' HG23 ' A' ' 44' ' ' ILE . 32.9 t80 -60.19 -56.84 16.7 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 123.658 0.599 . . . . 72.42 109.868 179.447 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -41.75 -57.82 2.2 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.912 1.685 . . . . 53.22 112.091 175.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -64.78 -55.27 20.76 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 115.149 -0.932 . . . . 64.05 111.705 -175.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 65.1 tttm -67.71 -33.42 74.86 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.454 1.101 . . . . 50.24 111.555 -171.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1019 ' ' MET . . . . . 0.648 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.3 OUTLIER -80.86 -27.72 36.28 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.904 -0.589 . . . . 70.22 110.424 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -70.27 -26.78 63.98 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 110.148 -0.315 . . . . 55.51 110.148 167.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 95.8 mt -86.65 -11.72 50.51 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 118.401 -0.809 . . . . 71.0 112.455 177.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1022 ' ' LEU . . . . . 0.648 ' HG ' ' HA ' ' A' 1019 ' ' MET . 31.0 mt -44.06 110.03 0.93 Allowed Pre-proline 0 N--CA 1.498 1.947 0 C-N-CA 123.139 0.576 . . . . 73.12 111.573 169.23 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -75.76 -14.55 19.51 Favored 'Trans proline' 0 C--N 1.377 2.051 0 C-N-CA 122.252 1.968 . . . . 75.14 112.319 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -153.66 90.57 1.41 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.54 0.736 . . . . 75.34 110.467 -174.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1025 ' ' VAL . . . . . 0.404 HG23 ' HZ ' ' A' ' 7' ' ' PHE . 7.1 p . . . . . 0 CA--C 1.561 1.384 0 C-N-CA 124.897 1.279 . . . . 61.11 109.883 171.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.484 1.228 0 N-CA-C 111.159 0.059 . . . . 72.54 111.159 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.9 m -54.58 -68.87 0.15 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.083 0.953 . . . . 74.51 112.979 -170.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.9 m -73.43 -11.73 60.57 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 112.236 0.458 . . . . 44.14 112.236 -175.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 50.2 m -71.82 -57.01 4.71 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.588 0.755 . . . . 64.44 109.937 174.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.3 p -65.04 -32.35 57.9 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.989 0 C-N-CA 122.86 0.464 . . . . 73.0 109.902 178.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -56.88 -60.53 3.44 Favored 'General case' 0 C--N 1.365 1.261 0 N-CA-C 109.784 -0.45 . . . . 72.02 109.784 171.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -58.21 -52.58 64.98 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.284 1.033 . . . . 71.13 110.767 -171.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.609 HD11 HG12 ' A' ' 60' ' ' ILE . 69.9 mt -66.81 -46.28 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 123.905 0.882 . . . . 62.3 111.644 -175.015 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -71.79 -30.27 65.35 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-N 117.694 0.224 . . . . 75.5 111.493 -175.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.434 ' HD3' HG23 ' A' ' 46' ' ' THR . 94.5 mtt180 -72.22 -51.41 21.21 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 118.842 -0.599 . . . . 73.25 110.045 177.022 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 58.2 m95 -56.86 -37.6 71.54 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 123.605 0.565 . . . . 73.35 110.985 175.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -60.8 -51.7 68.2 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 123.943 0.777 . . . . 55.51 109.841 176.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -62.75 -36.47 83.15 Favored 'General case' 0 C--O 1.212 -0.877 0 O-C-N 124.305 1.003 . . . . 75.12 111.204 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.462 HG22 ' OG1' ' A' ' 71' ' ' THR . 89.9 mt -68.78 -39.22 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 123.658 0.783 . . . . 74.32 110.165 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.5 -42.33 87.51 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.55 0.74 . . . . 72.42 111.09 177.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.2 mt -71.05 -39.42 72.26 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.912 0.885 . . . . 74.55 110.893 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' A' ' 40' ' ' TYR . 38.2 mt -64.0 -48.49 76.18 Favored 'General case' 0 C--O 1.211 -0.967 0 C-N-CA 123.216 0.606 . . . . 43.34 109.468 176.277 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.3 p -66.07 -37.93 87.03 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.573 0.546 . . . . 70.21 111.418 -174.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -71.33 -35.22 71.14 Favored 'General case' 0 N--CA 1.484 1.252 0 O-C-N 123.171 0.295 . . . . 72.33 110.835 177.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.42 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 67.5 m -61.56 -60.01 4.34 Favored 'General case' 0 C--N 1.356 0.884 0 N-CA-C 108.942 -0.762 . . . . 72.02 108.942 173.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.631 HD13 ' HH2' ' A' 1008 ' ' TRP . 35.5 mt -52.21 -36.76 53.01 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.701 1.6 . . . . 72.24 112.032 178.168 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.58 HD22 ' HA ' ' A' ' 74' ' ' ASN . 37.2 tp -64.19 -56.12 16.92 Favored 'General case' 0 C--O 1.246 0.872 0 C-N-CA 123.643 0.777 . . . . 71.35 110.72 179.101 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 38.8 tt0 -59.84 -40.92 90.17 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 124.329 1.018 . . . . 61.22 109.684 -179.093 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.512 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 96.2 mt -66.92 -35.39 79.88 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.407 1.083 . . . . 74.33 111.343 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.56 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -65.41 -42.88 92.08 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.979 0.512 . . . . 63.24 109.688 177.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -65.47 -33.65 76.44 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 115.075 -0.966 . . . . 75.34 111.451 174.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.441 ' HD2' HD23 ' A' ' 24' ' ' LEU . 92.5 mtt-85 -73.37 -25.98 60.81 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.265 0.626 . . . . 53.34 111.221 176.507 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.2 13.85 55.31 Favored Glycine 0 C--N 1.348 1.219 0 O-C-N 123.409 0.443 . . . . 61.24 113.487 -176.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.512 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 41.1 mm-40 -77.04 75.5 3.61 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.52 1.128 . . . . 73.01 110.836 178.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -72.98 -28.85 62.63 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.598 0.359 . . . . 75.3 110.926 -177.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -59.68 -49.41 77.83 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.351 0.661 . . . . 63.32 110.717 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 78.0 mt -63.65 -34.13 77.15 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.615 0.766 . . . . 72.41 111.89 177.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.442 HD21 ' HB2' ' A' ' 25' ' ' ALA . 10.0 mp -66.15 -37.62 86.12 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 119.409 -0.329 . . . . 74.31 111.772 173.617 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.65 -36.88 73.62 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.195 0.598 . . . . 64.03 111.048 177.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -71.13 -52.66 18.0 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.338 0.655 . . . . 75.52 110.222 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.518 ' HB2' HD21 ' A' ' 21' ' ' LEU . 82.8 mt-30 -79.42 -10.86 59.89 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.277 1.031 . . . . 74.2 111.704 -178.142 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.425 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 11.0 tt0 -44.11 -63.78 0.8 Allowed 'General case' 0 C--N 1.366 1.302 0 C-N-CA 123.428 0.691 . . . . 74.43 110.87 171.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.409 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 6.0 p -58.1 -42.65 83.58 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 O-C-N 124.319 1.012 . . . . 70.24 111.107 -176.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.7 m -60.38 -46.14 91.04 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.389 0.676 . . . . 62.13 111.312 -178.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.436 ' HA ' HD13 ' A' ' 17' ' ' LEU . 55.4 t80 -67.35 -45.07 77.41 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.234 1.014 . . . . 63.11 110.564 -176.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 57.3 mt -67.28 -40.1 86.09 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 123.981 0.801 . . . . 72.14 110.782 -177.579 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 85.1 mm-40 -67.31 -36.77 82.18 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.506 0.323 . . . . 74.31 110.616 178.504 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.8 m -61.82 -40.29 94.74 Favored 'General case' 0 CA--C 1.551 0.993 0 O-C-N 123.595 0.56 . . . . 53.22 110.875 173.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.0 mt -61.1 -47.46 93.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.278 1.031 . . . . 70.34 111.156 176.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.45 -54.47 46.43 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.631 0.772 . . . . 73.31 111.153 178.005 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.434 HG23 ' HD3' ' A' ' 10' ' ' ARG . 14.8 t -72.28 -24.02 61.28 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 112.603 0.594 . . . . 62.52 112.603 -173.2 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.6 p -79.99 -41.14 21.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 CA-C-N 118.293 0.497 . . . . 51.12 110.353 176.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.475 ' SD ' ' HG2' ' A' 1018 ' ' LYS . 53.9 ttm -78.53 -14.49 59.32 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.035 0.534 . . . . 73.43 109.867 -178.32 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -62.85 -32.01 73.15 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 124.256 1.023 . . . . 73.12 110.952 172.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.64 106.4 13.49 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.024 0.929 . . . . 70.13 109.742 176.451 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -92.99 139.03 30.95 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 109.59 -0.522 . . . . 75.34 109.59 170.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 31.0 p -90.21 137.13 27.96 Favored Pre-proline 0 CA--C 1.541 0.615 0 CA-C-O 118.873 -0.584 . . . . 72.45 109.691 173.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -61.6 158.58 36.21 Favored 'Trans proline' 0 CA--C 1.56 1.822 0 C-N-CA 123.041 2.494 . . . . 54.11 113.263 177.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -40.11 -46.68 4.06 Favored 'Trans proline' 0 C--N 1.383 2.358 0 C-N-CA 124.747 3.631 . . . . 62.23 115.225 174.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -80.68 53.44 4.54 Favored Glycine 0 C--N 1.346 1.119 0 CA-C-N 116.352 -0.386 . . . . 42.12 113.185 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.3 tp -85.27 135.55 24.65 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 C-N-CA 123.82 0.848 . . . . 75.32 108.934 175.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.9 t -62.17 149.14 42.38 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.432 0.693 . . . . 65.24 111.85 -176.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -58.34 -32.37 68.46 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.18 0.992 . . . . 74.32 112.717 -171.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.7 m -63.78 -56.71 13.49 Favored 'General case' 0 C--O 1.249 1.073 0 C-N-CA 123.093 0.557 . . . . 64.54 111.09 -178.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.609 HG12 HD11 ' A' ' 8' ' ' ILE . 66.3 mt -60.74 -49.99 82.28 Favored 'Isoleucine or valine' 0 C--N 1.357 0.91 0 CA-C-N 115.515 -0.766 . . . . 73.44 109.265 178.133 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -56.51 -40.04 74.35 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 124.212 0.945 . . . . 72.23 111.72 -178.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -67.29 -57.62 6.32 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.517 0.727 . . . . 72.53 111.199 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 69.7 mtm -61.67 -48.38 81.08 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 123.582 0.551 . . . . 55.03 110.516 -175.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 22.8 t -59.82 -43.92 92.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 124.37 1.068 . . . . 63.31 111.327 178.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.72 -34.09 77.09 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 117.922 0.328 . . . . 70.54 110.477 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.8 -46.6 93.79 Favored Glycine 0 C--N 1.348 1.214 0 N-CA-C 111.112 -0.795 . . . . 75.43 111.112 173.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -70.2 -31.57 69.08 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.16 0.984 . . . . 63.51 111.634 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.448 HG23 ' HE1' ' A' 1019 ' ' MET . 17.9 mt -69.57 -55.19 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.338 1.055 . . . . 73.34 109.901 -178.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -63.67 -36.21 83.1 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 123.557 0.536 . . . . 54.54 110.212 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -62.42 -54.94 32.91 Favored 'General case' 0 C--N 1.357 0.91 0 O-C-N 123.846 0.716 . . . . 55.24 110.807 176.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.462 ' OG1' HG22 ' A' ' 14' ' ' ILE . 6.4 t -69.34 -36.42 76.89 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 123.45 0.469 . . . . 74.34 111.74 -172.271 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.471 HD22 ' HG2' ' A' 1016 ' ' GLU . 83.5 mt -70.93 -35.79 72.38 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.651 0.594 . . . . 74.25 111.159 177.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -65.11 -45.82 83.56 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-O 120.958 0.409 . . . . 62.31 110.133 174.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.58 ' HA ' HD22 ' A' ' 22' ' ' LEU . 86.1 m-20 -65.34 -40.02 93.1 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 115.282 -0.872 . . . . 71.4 110.71 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.581 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 36.1 tt0 -79.53 -21.32 45.37 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.951 0.9 . . . . 74.35 110.754 -178.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -69.17 -46.22 68.06 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 108.667 -0.864 . . . . 60.5 108.667 172.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.3 mt -69.65 -35.26 75.03 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 114.685 -1.143 . . . . 74.15 110.957 177.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.581 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 19.5 mt -62.15 -46.02 90.87 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.643 0.777 . . . . 63.03 110.441 171.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -62.03 -49.82 74.48 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.908 0.755 . . . . 71.33 109.903 -177.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.47 -49.22 75.87 Favored Glycine 0 C--N 1.351 1.385 0 O-C-N 123.967 0.792 . . . . 65.41 112.597 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.56 HD22 ' HB1' ' A' ' 25' ' ' ALA . 10.5 tt -62.86 -60.3 3.67 Favored 'General case' 0 C--O 1.215 -0.747 0 C-N-CA 123.489 0.716 . . . . 62.33 110.359 -178.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.633 HD13 ' HE1' ' A' 1008 ' ' TRP . 41.4 mt -64.26 -34.09 77.31 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.992 0.917 . . . . 73.25 112.905 -173.226 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.1 tm0? -68.03 -46.72 70.4 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 108.746 -0.835 . . . . 54.21 108.746 175.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -61.33 -36.71 80.91 Favored 'General case' 0 C--N 1.357 0.904 0 O-C-N 123.883 0.739 . . . . 73.43 110.796 176.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -75.26 -44.19 47.26 Favored 'General case' 0 C--O 1.21 -1.015 0 C-N-CA 123.847 0.859 . . . . 74.22 110.821 -174.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.516 HD11 ' HB3' ' A' 1005 ' ' LEU . 98.5 mt -67.57 -38.57 84.27 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 117.919 0.327 . . . . 70.31 110.591 177.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -63.11 -45.66 90.96 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.762 0.825 . . . . 74.1 110.578 174.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.526 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 36.3 tt0 -63.21 -56.91 12.73 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.881 0.872 . . . . 62.42 109.874 -178.522 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.402 HD23 HD12 ' A' ' 92' ' ' LEU . 96.9 mt -54.57 -42.02 70.54 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.056 1.343 . . . . 75.12 111.733 178.361 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.694 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 94.5 p -68.6 -29.92 68.54 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 122.201 0.201 . . . . 73.11 110.617 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.499 ' HB3' HG22 ' A' ' 96' ' ' VAL . 53.1 m -80.27 -25.73 39.32 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 123.046 0.538 . . . . 61.43 111.942 174.445 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 79.0 mt -74.3 -44.85 50.92 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 121.568 0.699 . . . . 73.22 109.98 178.188 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 72.1 mt -81.61 -53.62 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 CA-C-N 114.437 -1.256 . . . . 73.13 109.517 -176.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -93.87 -169.88 38.39 Favored Glycine 0 C--N 1.343 0.92 0 CA-C-N 115.405 -0.816 . . . . 64.51 112.579 -178.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -86.51 122.98 31.2 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 123.813 0.845 . . . . 62.43 108.927 -175.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.499 HG22 ' HB3' ' A' ' 91' ' ' SER . 20.2 t -65.22 104.69 0.52 Allowed 'Isoleucine or valine' 0 C--O 1.243 0.714 0 O-C-N 123.868 0.73 . . . . 72.5 109.565 -179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.419 HD22 HD11 ' A' ' 105' ' ' LEU . 2.4 pt? -83.17 -168.78 2.22 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.177 0.591 . . . . 71.31 110.073 177.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.484 ' HE1' ' HD2' ' A' ' 101' ' ' PRO . 50.7 p90 -60.28 136.71 58.12 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 123.515 0.726 . . . . 65.22 110.749 170.495 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -81.19 75.66 8.16 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 121.282 0.563 . . . . 64.44 109.713 176.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -119.97 -122.65 3.02 Favored Glycine 0 C--N 1.34 0.77 0 CA-C-O 118.681 -1.066 . . . . 34.34 110.574 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.484 ' HD2' ' HE1' ' A' ' 98' ' ' PHE . 36.7 Cg_exo -60.81 158.36 33.62 Favored 'Trans proline' 0 C--N 1.374 1.878 0 C-N-CA 122.931 2.421 . . . . 75.33 112.661 170.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.2 m -71.54 94.5 1.31 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.555 0.742 . . . . 73.41 109.486 176.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -94.85 132.19 39.92 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.159 0.584 . . . . 71.12 110.162 179.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.07 83.42 1.29 Allowed Glycine 0 C--N 1.345 1.056 0 O-C-N 123.598 0.561 . . . . 72.25 112.197 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.694 ' HB2' ' HB2' ' A' ' 90' ' ' SER . 77.0 mt -63.65 -38.89 92.82 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 109.333 -0.617 . . . . 74.04 109.333 173.138 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.407 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 16.3 m -77.06 132.24 71.18 Favored Pre-proline 0 CA--C 1.557 1.221 0 CA-C-N 115.289 -0.869 . . . . 75.42 109.7 170.031 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 106' ' ' VAL . 13.5 Cg_exo -70.81 132.63 22.01 Favored 'Trans proline' 0 C--N 1.374 1.896 0 C-N-CA 122.99 2.46 . . . . 72.51 112.35 177.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -77.58 77.7 4.1 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.559 0.744 . . . . 61.42 110.082 173.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -109.43 -167.26 20.27 Favored Glycine 0 C--N 1.338 0.687 0 CA-C-N 115.907 -0.588 . . . . 72.41 112.266 -178.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 42.2 m -125.02 99.76 6.27 Favored 'General case' 0 C--O 1.241 0.631 0 C-N-CA 123.389 0.676 . . . . 60.14 109.191 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 177.12 -130.59 1.66 Allowed Glycine 0 C--N 1.346 1.108 0 CA-C-O 119.483 -0.621 . . . . 25.42 112.1 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -76.0 -90.56 0.23 Allowed Glycine 0 C--N 1.351 1.404 0 CA-C-N 117.097 0.449 . . . . 62.4 112.439 -173.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.6 tt -70.29 -30.17 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 123.115 0.566 . . . . 61.04 109.654 176.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -62.47 -43.24 99.3 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 114.996 -1.002 . . . . 73.42 109.216 179.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -66.76 -46.54 74.12 Favored Glycine 0 C--N 1.349 1.266 0 CA-C-N 114.667 -1.151 . . . . 61.22 112.166 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 51.1 ttp -55.27 -50.71 68.83 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.324 0.649 . . . . 74.24 110.969 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 40.4 p -70.85 -45.37 64.6 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.509 -0.768 . . . . 41.31 111.451 -174.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 4.5 t -62.12 -38.77 90.19 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 123.255 0.347 . . . . 73.23 110.294 -178.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -71.76 -43.6 65.48 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 116.001 -0.545 . . . . 62.52 110.63 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1005 ' ' LEU . . . . . 0.516 ' HB3' HD11 ' A' ' 86' ' ' LEU . 52.7 mt -67.94 -32.81 73.52 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 112.023 0.379 . . . . 72.42 112.023 178.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 55.2 p -73.1 -43.23 62.05 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 118.021 0.373 . . . . 53.5 110.662 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -67.54 -29.56 68.98 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 120.992 0.425 . . . . 74.2 110.246 175.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1008 ' ' TRP . . . . . 0.633 ' HE1' HD13 ' A' ' 82' ' ' LEU . 0.8 OUTLIER -67.55 -41.19 84.67 Favored 'General case' 0 C--O 1.216 -0.687 0 C-N-CA 124.848 1.259 . . . . 71.51 109.962 177.138 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1009 ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' 1005 ' ' LEU . 91.3 mt -73.46 -30.91 63.49 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 109.34 -0.615 . . . . 70.55 109.34 -179.237 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 95.5 m -64.48 -40.43 95.68 Favored 'General case' 0 CA--C 1.551 1.004 0 O-C-N 124.131 0.894 . . . . 73.03 110.536 171.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -73.95 -31.94 63.27 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.624 0.77 . . . . 71.42 111.162 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1012 ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' 1008 ' ' TRP . 26.7 mt -69.16 -43.41 74.34 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 108.508 -0.923 . . . . 73.25 108.508 176.158 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 22.0 t70 -59.62 -43.89 93.65 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 114.682 -1.144 . . . . 63.23 110.732 177.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 63.8 t30 -64.43 -47.97 77.11 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 124.054 0.846 . . . . 71.12 110.389 -178.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 38.0 t80 -61.65 -58.79 6.67 Favored 'General case' 0 C--N 1.357 0.901 0 C-N-CA 123.557 0.743 . . . . 73.25 110.701 178.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1016 ' ' GLU . . . . . 0.471 ' HG2' HD22 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -49.29 -53.68 20.69 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.236 1.414 . . . . 73.24 110.924 -177.622 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1017 ' ' ALA . . . . . 0.449 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -61.1 -58.9 6.44 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 124.138 0.899 . . . . 52.25 110.733 -178.398 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1018 ' ' LYS . . . . . 0.475 ' HG2' ' SD ' ' A' ' 48' ' ' MET . 0.4 OUTLIER -59.09 -40.33 84.94 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.478 0.711 . . . . 74.03 112.232 -175.924 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1019 ' ' MET . . . . . 0.613 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.3 OUTLIER -78.85 -24.0 44.64 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 116.582 -0.281 . . . . 73.22 110.918 -174.182 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -70.21 -36.25 74.46 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 109.267 -0.642 . . . . 64.3 109.267 167.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1021 ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' 1017 ' ' ALA . 93.4 mt -78.41 -11.95 59.98 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 118.276 -0.868 . . . . 63.0 112.0 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1022 ' ' LEU . . . . . 0.613 ' HG ' ' HA ' ' A' 1019 ' ' MET . 38.8 mt -49.3 107.65 0.82 Allowed Pre-proline 0 N--CA 1.5 2.034 0 C-N-CA 123.637 0.775 . . . . 74.02 111.46 171.344 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -83.86 -23.18 3.27 Favored 'Trans proline' 0 C--N 1.375 1.942 0 C-N-CA 122.526 2.151 . . . . 64.23 111.591 172.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -74.68 -44.62 49.31 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.935 0.894 . . . . 71.45 111.082 -175.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1025 ' ' VAL . . . . . . . . . . . . . 21.0 t . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.435 -0.793 . . . . 63.21 109.002 -179.498 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ptm . . . . . 0 N--CA 1.479 1.008 0 CA-C-O 118.842 -0.599 . . . . 75.22 111.967 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.8 p -66.74 -52.66 41.8 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 118.362 0.528 . . . . 64.24 110.214 177.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.8 t -55.27 -42.87 74.11 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.081 0.952 . . . . 61.42 111.191 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 50.3 m -59.08 -57.88 11.12 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.129 1.372 . . . . 72.12 111.624 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.9 p -68.41 -33.78 62.12 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 O-C-N 123.315 0.384 . . . . 63.24 110.64 -172.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -66.95 -48.7 67.79 Favored 'General case' 0 C--O 1.217 -0.652 0 C-N-CA 122.401 0.28 . . . . 73.22 110.299 176.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -58.42 -51.28 70.5 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.391 0.676 . . . . 72.21 110.808 -177.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.664 HD11 HG12 ' A' ' 60' ' ' ILE . 97.2 mt -64.03 -44.94 97.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.15 0.98 . . . . 62.31 111.391 -178.552 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -69.29 -39.55 78.26 Favored 'General case' 0 N--CA 1.484 1.266 0 O-C-N 123.397 0.436 . . . . 45.11 111.278 -176.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.53 ' HD3' HG23 ' A' ' 46' ' ' THR . 84.7 mtt180 -69.33 -40.69 77.43 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.747 0.654 . . . . 73.04 110.335 -178.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 36.3 m95 -65.28 -39.37 92.5 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 123.1 0.25 . . . . 65.4 111.426 173.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.414 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 59.2 tt0 -59.76 -42.83 94.12 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 123.969 0.793 . . . . 72.21 109.971 176.017 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -65.5 -44.0 88.42 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 123.901 0.751 . . . . 73.11 110.889 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 10' ' ' ARG . 73.0 mt -64.41 -35.72 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 122.947 0.499 . . . . 72.34 110.607 178.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.55 -50.76 66.03 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.802 0.841 . . . . 73.25 110.716 177.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 97.7 mt -63.98 -42.43 97.22 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 115.161 -0.927 . . . . 63.1 110.633 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 40' ' ' TYR . 55.9 mt -62.81 -57.44 10.88 Favored 'General case' 0 C--O 1.213 -0.861 0 C-N-CA 124.012 0.925 . . . . 74.52 110.252 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 81.1 p -57.46 -37.38 72.79 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.846 0.858 . . . . 50.04 111.672 -177.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -63.37 -49.03 75.45 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.709 0.804 . . . . 54.15 110.955 176.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.7 m -60.9 -44.98 96.38 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 123.875 0.735 . . . . 74.34 110.406 178.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.534 HD13 ' HH2' ' A' 1008 ' ' TRP . 60.9 mt -64.24 -36.67 84.84 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.837 1.255 . . . . 71.42 110.634 -179.572 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.633 HD22 ' HA ' ' A' ' 74' ' ' ASN . 35.2 tp -65.53 -44.53 86.58 Favored 'General case' 0 C--N 1.351 0.647 0 C-N-CA 122.999 0.52 . . . . 74.22 109.882 178.409 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -59.84 -40.57 88.96 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 124.078 0.862 . . . . 53.24 109.995 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.406 ' HA ' ' HB2' ' A' ' 27' ' ' ARG . 75.8 mt -72.85 -25.63 61.18 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.11 0.964 . . . . 74.23 112.202 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.553 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -74.39 -39.72 62.51 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.047 0.539 . . . . 75.01 109.654 173.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -68.19 -28.32 67.16 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.835 0.854 . . . . 73.11 110.672 174.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.406 ' HB2' ' HA ' ' A' ' 24' ' ' LEU . 10.1 mmm180 -81.92 -27.44 33.35 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.272 1.029 . . . . 64.31 111.563 176.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.68 11.67 67.97 Favored Glycine 0 C--N 1.341 0.825 0 CA-C-O 119.467 -0.63 . . . . 42.23 113.605 -175.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.37 82.99 4.62 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.171 0.588 . . . . 75.11 110.457 174.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -73.91 -26.7 60.67 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 115.856 -0.611 . . . . 72.4 109.908 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -52.84 -51.67 60.07 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.805 1.242 . . . . 72.33 111.999 175.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.2 mt -73.68 -22.95 59.78 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.752 -0.658 . . . . 64.51 111.585 -176.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 42.1 mt -67.58 -43.67 80.0 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 109.555 -0.535 . . . . 62.15 109.555 171.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.69 -31.99 69.06 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.458 0.703 . . . . 62.41 111.862 177.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -70.27 -47.94 59.05 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.375 0.67 . . . . 65.22 110.214 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -87.25 -10.41 52.53 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.441 1.096 . . . . 53.54 112.0 -176.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.497 ' HG3' ' CE3' ' A' 1008 ' ' TRP . 31.3 tt0 -43.87 -56.71 3.71 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 124.087 0.955 . . . . 63.24 111.72 176.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.6 p -55.43 -41.2 61.59 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 C-N-CA 123.91 0.884 . . . . 71.52 112.155 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.4 m -72.24 -38.25 68.96 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.288 0.635 . . . . 72.11 112.156 -177.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.423 ' HA ' HD13 ' A' ' 17' ' ' LEU . 35.5 t80 -71.25 -46.29 61.33 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.178 0.591 . . . . 71.23 110.507 -177.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 77.9 mt -69.1 -33.42 73.47 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 123.822 0.701 . . . . 70.3 110.6 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -62.59 -45.01 94.88 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.417 0.687 . . . . 71.24 110.946 172.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.432 ' HA ' HG22 ' A' ' 46' ' ' THR . 6.7 t -67.57 -37.81 83.19 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 123.057 0.543 . . . . 63.22 109.899 -178.18 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.2 mt -59.12 -56.37 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.85 1.26 . . . . 75.55 111.329 176.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 12.5 pt-20 -67.35 -37.01 82.57 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 116.577 -0.283 . . . . 71.31 110.981 -176.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.53 HG23 ' HD3' ' A' ' 10' ' ' ARG . 4.3 t -71.75 -31.71 66.95 Favored 'General case' 0 C--N 1.36 1.048 0 O-C-N 122.998 0.186 . . . . 54.54 111.443 -175.613 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.9 p -77.49 -31.78 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 O-C-N 122.132 -0.355 . . . . 63.11 110.238 173.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 39.8 ttm -77.37 -12.2 59.93 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 122.615 0.366 . . . . 74.43 110.77 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' ' 45' ' ' GLU . 50.9 mt-10 -71.86 -24.23 61.65 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 122.909 0.484 . . . . 74.43 110.6 165.542 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.465 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -98.72 92.42 5.58 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.908 0.883 . . . . 75.0 110.492 -178.653 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.3 mp0 -87.14 107.65 18.55 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.555 0.742 . . . . 54.15 109.329 168.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.588 ' HB ' HD13 ' A' ' 56' ' ' ILE . 32.9 p -81.46 147.51 60.05 Favored Pre-proline 0 CA--C 1.553 1.063 0 N-CA-C 109.426 -0.583 . . . . 72.25 109.426 168.137 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -63.39 156.81 54.0 Favored 'Trans proline' 0 CA--C 1.564 2.0 0 C-N-CA 122.729 2.286 . . . . 52.23 113.55 -178.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -49.04 -45.48 29.06 Favored 'Trans proline' 0 C--N 1.386 2.525 0 C-N-CA 123.853 3.035 . . . . 73.42 112.996 172.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -79.19 57.03 4.39 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 115.555 -0.748 . . . . 50.32 112.768 174.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.588 HD13 ' HB ' ' A' ' 52' ' ' THR . 10.3 tp -78.43 145.58 9.47 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 C-N-CA 123.674 0.79 . . . . 71.51 108.952 175.227 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.9 t -65.97 155.04 37.76 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.515 0.326 . . . . 72.34 111.025 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -58.11 -40.16 80.49 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.251 1.02 . . . . 74.31 111.476 -172.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.8 m -55.11 -55.79 27.08 Favored 'General case' 0 C--O 1.247 0.942 0 C-N-CA 123.617 0.767 . . . . 74.5 111.759 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.664 HG12 HD11 ' A' ' 8' ' ' ILE . 57.9 mt -67.8 -38.84 80.88 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-N 115.057 -0.974 . . . . 74.13 109.958 -178.703 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -53.38 -54.6 34.37 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.471 0.708 . . . . 64.11 110.433 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.68 -43.49 47.14 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 123.965 0.79 . . . . 62.24 112.139 -173.028 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 74.6 mtm -61.26 -50.46 72.94 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-O 120.648 0.261 . . . . 50.23 110.861 179.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.0 t -66.99 -37.26 79.04 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.701 0 CA-C-N 115.574 -0.739 . . . . 74.14 111.198 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.81 -31.59 72.6 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-N 118.182 0.446 . . . . 73.15 110.821 175.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.52 -44.73 71.16 Favored Glycine 0 C--N 1.351 1.369 0 O-C-N 123.911 0.757 . . . . 75.11 111.6 173.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -67.66 -28.97 68.16 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.074 0.55 . . . . 54.42 111.18 178.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.459 HG23 ' HE1' ' A' 1019 ' ' MET . 20.5 mt -74.02 -43.69 51.6 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 124.744 1.218 . . . . 53.5 109.643 179.008 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -61.59 -42.65 99.16 Favored 'General case' 0 C--N 1.35 0.625 0 N-CA-C 109.724 -0.473 . . . . 74.22 109.724 174.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -56.77 -60.14 4.0 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 123.954 0.784 . . . . 64.34 110.176 176.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.421 ' OG1' HG22 ' A' ' 14' ' ' ILE . 14.7 t -66.57 -42.41 87.1 Favored 'General case' 0 C--O 1.212 -0.891 0 CA-C-O 118.968 -0.539 . . . . 75.53 112.09 -171.146 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.42 HD21 ' SD ' ' A' 1019 ' ' MET . 67.9 mt -69.89 -34.68 73.84 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 119.302 -0.38 . . . . 63.14 111.811 -177.356 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -73.76 -46.28 46.67 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 122.835 0.454 . . . . 72.53 109.886 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.633 ' HA ' HD22 ' A' ' 22' ' ' LEU . 90.4 m-20 -62.0 -41.69 98.32 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.77 0.828 . . . . 64.5 110.672 178.378 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.567 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 35.1 tt0 -77.56 -29.05 52.01 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.016 0.926 . . . . 72.45 110.831 -178.109 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -60.8 -46.98 88.38 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 109.204 -0.665 . . . . 74.12 109.204 172.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.7 mt -69.82 -34.59 73.89 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 114.663 -1.153 . . . . 72.34 111.4 176.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.567 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 18.1 mt -59.81 -63.35 1.33 Allowed 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.178 0.591 . . . . 74.43 110.504 174.163 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.456 ' HE2' ' HG2' ' A' ' 75' ' ' GLU . 45.4 mtmt -55.59 -38.87 69.97 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.291 1.037 . . . . 64.12 112.828 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.33 -51.87 55.24 Favored Glycine 0 C--N 1.344 0.998 0 O-C-N 123.368 0.417 . . . . 75.14 112.365 175.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.553 HD22 ' HB1' ' A' ' 25' ' ' ALA . 10.1 tt -68.38 -39.23 81.82 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.222 1.009 . . . . 61.45 111.26 -176.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.513 HD13 ' HE1' ' A' 1008 ' ' TRP . 36.2 mt -79.2 -31.85 43.86 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.063 0.945 . . . . 70.31 111.011 -174.231 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 59.1 tp60 -68.8 -47.46 66.05 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.96 -0.756 . . . . 73.32 108.96 173.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.414 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 7.2 tp-100 -53.76 -41.54 67.27 Favored 'General case' 0 CA--C 1.55 0.955 0 O-C-N 124.312 1.008 . . . . 70.22 110.945 173.578 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -75.18 -41.58 57.73 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.515 0.726 . . . . 72.42 111.126 -174.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.454 HD23 HD12 ' A' ' 89' ' ' LEU . 88.8 mt -73.22 -21.91 60.55 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.962 0.505 . . . . 53.52 111.055 179.075 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -74.68 -40.25 61.5 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.021 -0.733 . . . . 70.13 109.021 173.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.514 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 46.1 mt-10 -57.79 -56.21 24.83 Favored 'General case' 0 C--N 1.366 1.301 0 O-C-N 123.765 0.666 . . . . 62.14 109.656 171.122 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.454 HD12 HD23 ' A' ' 86' ' ' LEU . 95.2 mt -59.67 -37.51 78.96 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.929 1.292 . . . . 75.44 112.239 -178.299 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.0 t -60.86 -46.5 90.35 Favored 'General case' 0 C--N 1.35 0.628 0 N-CA-C 109.218 -0.66 . . . . 73.05 109.218 174.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.515 ' HA ' ' HB3' ' A' ' 95' ' ' GLN . 17.7 t -69.94 -32.0 70.04 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 115.523 -0.762 . . . . 74.22 112.228 -179.116 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 64.3 mt -71.71 -53.04 14.79 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 122.827 0.451 . . . . 75.24 110.309 -177.549 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 75.7 mt -69.5 -36.94 73.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 115.111 -0.949 . . . . 73.44 110.599 -177.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 162.01 103.45 0.18 Allowed Glycine 0 C--N 1.343 0.924 0 N-CA-C 111.466 -0.653 . . . . 64.2 111.466 175.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.515 ' HB3' ' HA ' ' A' ' 91' ' ' SER . 11.3 pt20 -66.09 91.56 0.16 Allowed 'General case' 0 N--CA 1.48 1.042 0 CA-C-O 121.492 0.663 . . . . 73.43 111.352 -178.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.46 HG22 HD22 ' A' ' 97' ' ' LEU . 8.7 p -91.77 -47.05 14.31 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 CA-C-N 115.347 -0.842 . . . . 70.02 109.024 174.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.46 HD22 HG22 ' A' ' 96' ' ' VAL . 2.9 mm? -136.64 168.72 18.96 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 125.161 1.384 . . . . 74.15 108.626 173.077 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -112.89 -49.24 2.94 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.033 0.933 . . . . 74.51 110.031 -177.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -81.28 141.48 34.05 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.713 0.405 . . . . 45.55 110.002 171.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 152.67 71.26 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 123.799 0.687 . . . . 70.22 111.984 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -75.48 -0.25 9.9 Favored 'Trans proline' 0 C--N 1.38 2.214 0 C-N-CA 122.929 2.419 . . . . 73.53 112.759 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.689 ' HA ' ' HB ' ' A' 1006 ' ' THR . 54.0 m -142.95 10.89 1.78 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.507 0.723 . . . . 75.53 111.543 176.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -97.22 131.14 44.24 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 123.052 0.541 . . . . 70.24 109.801 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -80.48 74.76 2.31 Favored Glycine 0 C--N 1.346 1.119 0 N-CA-C 110.708 -0.957 . . . . 61.24 110.708 174.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.412 HD22 ' HB2' ' A' ' 97' ' ' LEU . 91.9 mt -63.63 -26.43 68.67 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.021 0.928 . . . . 71.34 112.115 -174.612 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 20.3 m -91.53 144.0 28.92 Favored Pre-proline 0 CA--C 1.555 1.149 0 N-CA-C 108.965 -0.754 . . . . 73.25 108.965 172.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.9 118.3 5.6 Favored 'Trans proline' 0 C--N 1.372 1.808 0 C-N-CA 122.085 1.856 . . . . 74.21 112.363 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 7.6 ptp85 -83.85 163.04 20.34 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.174 0.59 . . . . 73.22 110.506 175.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 73.49 41.75 43.39 Favored Glycine 0 C--N 1.342 0.861 0 N-CA-C 111.46 -0.656 . . . . 42.34 111.46 -168.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 37.6 t -139.62 -48.44 0.47 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.816 0.847 . . . . 63.14 111.536 -175.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -162.39 -137.72 2.25 Favored Glycine 0 C--N 1.354 1.536 0 C-N-CA 121.276 -0.487 . . . . 71.12 114.003 -171.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -107.08 -22.85 7.33 Favored Glycine 0 C--N 1.355 1.6 0 CA-C-O 119.9 -0.389 . . . . 70.14 113.469 -176.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 26.8 pt -57.79 -36.19 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 C-N-CA 123.145 0.578 . . . . 70.21 111.327 177.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.22 -37.92 75.8 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.66 1.184 . . . . 54.45 111.372 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -63.16 -58.94 9.84 Favored Glycine 0 C--N 1.351 1.392 0 N-CA-C 110.559 -1.017 . . . . 52.0 110.559 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 51.2 ttp -56.86 -44.49 82.22 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.513 0.725 . . . . 71.32 111.721 -178.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 40.3 p -70.74 -54.04 13.26 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-O 119.167 -0.444 . . . . 72.55 111.887 -176.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 85.6 m -58.58 -41.49 85.86 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.17 0.588 . . . . 41.45 111.105 -178.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -62.52 -53.57 52.76 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 123.902 0.751 . . . . 71.24 110.623 175.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1005 ' ' LEU . . . . . 0.486 ' HA ' ' HB3' ' A' 1008 ' ' TRP . 36.4 mt -67.77 -27.83 67.09 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 112.637 0.606 . . . . 73.02 112.637 -176.593 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1006 ' ' THR . . . . . 0.689 ' HB ' ' HA ' ' A' ' 102' ' ' SER . 40.8 p -76.16 -45.17 34.72 Favored 'General case' 0 C--O 1.25 1.088 0 CA-C-N 118.547 0.612 . . . . 74.13 110.23 178.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1007 ' ' ARG . . . . . 0.413 ' HA ' HG22 ' A' 1010 ' ' THR . 46.9 ttt85 -65.09 -30.69 71.66 Favored 'General case' 0 CA--C 1.555 1.136 0 CA-C-O 121.417 0.627 . . . . 72.44 110.001 174.024 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1008 ' ' TRP . . . . . 0.536 ' O ' ' HG ' ' A' 1012 ' ' LEU . 3.3 t-105 -65.63 -48.73 71.23 Favored 'General case' 0 C--O 1.218 -0.593 0 C-N-CA 124.658 1.183 . . . . 74.5 109.879 174.288 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1009 ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' 1005 ' ' LEU . 65.5 mt -63.44 -34.62 78.14 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 118.025 0.375 . . . . 71.32 111.22 -179.025 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1010 ' ' THR . . . . . 0.471 ' HB ' ' OG ' ' A' ' 102' ' ' SER . 13.0 t -79.31 -25.68 42.35 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-N 117.972 0.351 . . . . 74.13 111.521 176.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -71.63 -35.98 70.59 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 110.051 -0.351 . . . . 62.21 110.051 174.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1012 ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' 1008 ' ' TRP . 27.0 mt -72.46 -36.89 68.6 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.751 0.82 . . . . 71.13 110.024 176.313 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 20.9 t70 -67.92 -40.91 83.29 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.978 0.911 . . . . 64.14 110.576 178.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 54.9 t30 -68.48 -41.45 80.08 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.709 0.804 . . . . 61.22 110.067 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 35.4 t80 -57.16 -58.8 6.61 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 123.401 0.681 . . . . 74.54 110.09 173.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -52.49 -44.69 65.8 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 124.52 1.138 . . . . 72.3 111.446 -178.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -61.24 -61.22 2.71 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 123.974 0.797 . . . . 60.31 111.02 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -59.33 -39.87 84.52 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.422 0.689 . . . . 64.35 111.693 -176.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1019 ' ' MET . . . . . 0.64 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.3 OUTLIER -81.11 -27.19 35.68 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.092 -0.504 . . . . 55.51 111.633 -171.586 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -75.57 -28.15 58.87 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 109.99 -0.374 . . . . 62.24 109.99 170.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 93.6 mt -81.4 -17.0 50.49 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 117.756 -1.116 . . . . 71.52 112.364 176.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1022 ' ' LEU . . . . . 0.64 ' HG ' ' HA ' ' A' 1019 ' ' MET . 36.7 mt -41.31 102.87 0.28 Allowed Pre-proline 0 N--CA 1.501 2.106 0 O-C-N 123.868 0.73 . . . . 71.23 111.593 174.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -88.53 43.07 0.72 Allowed 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 123.223 2.615 . . . . 72.14 110.706 -175.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -148.13 -53.58 0.19 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-N 114.883 -1.053 . . . . 74.52 110.39 -167.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1025 ' ' VAL . . . . . . . . . . . . . 11.9 t . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.068 -0.967 . . . . 73.41 109.074 -176.168 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ttt . . . . . 0 CA--C 1.551 0.984 0 CA-C-O 119.207 -0.425 . . . . 73.05 111.637 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.3 p -58.46 -52.32 66.12 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 118.43 0.559 . . . . 64.04 111.804 -176.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 m -63.3 -29.88 71.12 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.537 0.735 . . . . 72.41 111.399 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 44.5 m -67.8 -45.97 73.26 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.991 0.917 . . . . 62.14 110.923 176.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.4 t -62.03 -42.73 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.367 0.667 . . . . 75.44 109.674 177.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -57.77 -57.67 11.73 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 123.868 0.73 . . . . 74.44 110.389 176.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -54.97 -58.56 7.14 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 124.39 1.076 . . . . 74.43 111.455 -173.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.512 HD11 HG12 ' A' ' 60' ' ' ILE . 76.9 mt -63.73 -48.0 88.52 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.883 0 C-N-CA 124.169 0.988 . . . . 45.45 111.826 -176.068 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.5 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 21.6 m-80 -69.19 -38.73 78.8 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 118.734 -0.65 . . . . 75.43 111.376 -176.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.506 ' HD3' HG23 ' A' ' 46' ' ' THR . 98.0 mtt180 -62.66 -48.65 78.4 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 122.661 0.384 . . . . 70.34 110.084 178.416 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 52.0 m95 -56.51 -39.36 73.18 Favored 'General case' 0 N--CA 1.484 1.232 0 O-C-N 123.911 0.757 . . . . 70.11 111.048 175.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -62.92 -42.07 99.68 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.367 0.667 . . . . 73.53 111.424 175.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.5 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 27.8 mmt180 -61.3 -45.66 93.55 Favored 'General case' 0 C--N 1.36 1.05 0 N-CA-C 109.36 -0.607 . . . . 71.21 109.36 -179.361 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 10' ' ' ARG . 51.2 mt -65.91 -36.12 76.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 O-C-N 124.063 0.852 . . . . 72.24 110.757 -178.201 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.47 -49.24 74.4 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.233 0.613 . . . . 72.33 111.414 177.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.1 mt -69.06 -40.65 78.37 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 115.118 -0.947 . . . . 74.24 110.525 -178.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.6 mt -65.28 -45.62 83.75 Favored 'General case' 0 C--O 1.212 -0.886 0 C-N-CA 123.716 0.806 . . . . 65.15 109.984 178.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.9 p -65.17 -41.81 94.31 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 123.248 0.343 . . . . 63.51 111.118 -176.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.482 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 2.8 pt20 -72.22 -34.19 68.14 Favored 'General case' 0 C--N 1.358 0.964 0 O-C-N 123.318 0.386 . . . . 75.34 111.393 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.526 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 73.2 m -65.8 -54.89 20.88 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 109.927 -0.397 . . . . 73.52 109.927 176.336 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.616 ' HA ' HD12 ' A' ' 24' ' ' LEU . 90.5 mt -55.83 -33.13 64.19 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.905 1.282 . . . . 74.53 111.147 177.276 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' A' ' 74' ' ' ASN . 52.8 tp -64.05 -52.43 59.42 Favored 'General case' 0 C--N 1.346 0.425 0 O-C-N 123.951 0.782 . . . . 60.34 110.614 175.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 19' ' ' GLN . 19.9 mm-40 -57.18 -42.23 80.77 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 124.022 0.826 . . . . 74.45 111.268 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.616 HD12 ' HA ' ' A' ' 21' ' ' LEU . 41.7 mt -62.36 -46.25 89.5 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 114.452 -1.249 . . . . 33.01 110.319 178.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.476 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -65.93 -36.92 84.7 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.872 0.869 . . . . 62.24 111.342 -178.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -65.34 -37.23 86.45 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 115.498 -0.774 . . . . 62.21 110.466 176.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -88.94 -13.64 38.54 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 112.784 0.661 . . . . 74.51 112.784 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.58 12.76 56.65 Favored Glycine 0 C--N 1.351 1.384 0 N-CA-C 115.119 0.808 . . . . 63.12 115.119 176.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -76.68 77.08 3.33 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 117.8 0.8 . . . . 62.33 110.477 171.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.428 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 26.7 m95 -72.2 -29.32 63.85 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.463 0.705 . . . . 73.1 111.001 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -55.86 -46.04 78.34 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.716 1.206 . . . . 62.31 111.556 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.448 HD12 HD22 ' A' ' 24' ' ' LEU . 83.3 mt -73.25 -21.19 60.68 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.116 -0.947 . . . . 73.24 111.32 -179.013 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.573 ' HA ' HD22 ' A' ' 21' ' ' LEU . 11.2 mp -68.81 -45.52 71.02 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 109.48 -0.563 . . . . 72.44 109.48 169.296 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.48 HD22 ' HD3' ' A' 1004 ' ' ARG . 47.9 mt -67.61 -31.9 72.25 Favored 'General case' 0 N--CA 1.483 1.199 0 O-C-N 124.111 0.882 . . . . 60.31 111.246 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -72.86 -55.44 6.66 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.497 0.719 . . . . 74.45 110.568 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.567 ' HB2' HD21 ' A' ' 21' ' ' LEU . 84.7 mt-30 -79.83 -8.99 59.6 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.209 1.004 . . . . 74.32 112.028 -177.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -44.27 -53.61 6.5 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 125.41 1.484 . . . . 74.11 112.158 173.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.7 m -60.11 -42.66 90.75 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 O-C-N 123.854 0.721 . . . . 74.41 111.508 -177.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.9 m -67.2 -44.93 78.37 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.829 0.852 . . . . 74.4 111.099 -178.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -65.99 -50.77 63.12 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.219 1.007 . . . . 72.21 111.39 -176.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.8 mt -68.0 -35.82 78.96 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 123.826 0.704 . . . . 51.53 111.031 -178.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -62.14 -44.57 96.34 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.932 0.493 . . . . 72.32 110.944 174.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.6 m -62.05 -41.94 98.66 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.188 0.595 . . . . 60.51 110.797 177.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.428 HG23 ' CD2' ' A' 1015 ' ' PHE . 16.4 mt -58.4 -53.5 45.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.371 1.069 . . . . 75.41 111.314 178.393 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.26 -37.24 77.83 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 116.424 -0.353 . . . . 74.04 111.114 -174.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.506 HG23 ' HD3' ' A' ' 10' ' ' ARG . 6.3 t -72.99 -34.19 66.27 Favored 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 111.546 0.202 . . . . 71.15 111.546 -177.266 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.2 p -78.26 -36.88 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 O-C-N 122.035 -0.416 . . . . 74.42 110.817 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 56.9 ttm -68.13 -32.04 72.04 Favored 'General case' 0 C--N 1.358 0.954 0 N-CA-C 109.482 -0.562 . . . . 74.2 109.482 177.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -61.77 -33.81 74.74 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.329 0.652 . . . . 62.33 111.033 173.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.7 tppt? -107.6 76.99 1.1 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.077 0.551 . . . . 74.44 109.812 -176.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -88.1 147.16 25.06 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 109.66 -0.496 . . . . 71.41 109.66 176.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 30.8 p -99.99 141.18 22.27 Favored Pre-proline 0 N--CA 1.473 0.688 0 C-N-CA 123.225 0.61 . . . . 72.25 109.913 177.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -50.2 154.5 5.63 Favored 'Trans proline' 0 C--N 1.384 2.441 0 C-N-CA 122.899 2.399 . . . . 74.41 114.279 177.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.542 ' HA ' ' HB3' ' A' 1024 ' ' ALA . 33.2 Cg_exo -39.85 -46.37 3.75 Favored 'Trans proline' 0 C--N 1.384 2.422 0 C-N-CA 124.859 3.706 . . . . 63.2 114.625 174.427 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -72.18 73.65 0.88 Allowed Glycine 0 C--N 1.346 1.137 0 O-C-N 124.012 0.82 . . . . 64.02 112.725 175.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.8 tp -102.74 143.03 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 123.93 0.892 . . . . 61.34 108.699 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 82.0 p -70.41 142.38 52.05 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.358 0.663 . . . . 71.01 109.835 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.76 -39.5 52.37 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.021 0.928 . . . . 74.34 111.674 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.8 m -58.05 -58.64 7.54 Favored 'General case' 0 C--O 1.249 1.075 0 O-C-N 123.533 0.521 . . . . 41.21 111.369 -177.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.512 HG12 HD11 ' A' ' 8' ' ' ILE . 65.8 mt -63.86 -48.05 88.01 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 CA-C-N 115.179 -0.919 . . . . 72.14 109.446 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.91 -49.24 40.92 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.381 1.472 . . . . 73.01 111.241 178.235 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -74.9 -48.11 26.46 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.835 0.854 . . . . 63.12 111.056 -171.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 77.7 mtm -60.94 -49.06 78.97 Favored 'General case' 0 N--CA 1.482 1.151 0 O-C-N 123.575 0.547 . . . . 71.43 110.612 178.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.7 t -62.54 -39.36 84.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 124.118 0.967 . . . . 62.12 111.131 177.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.02 -30.63 71.62 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 122.74 0.416 . . . . 62.24 110.88 177.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.96 -42.03 79.62 Favored Glycine 0 C--N 1.353 1.501 0 O-C-N 124.063 0.852 . . . . 74.03 111.899 173.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -70.25 -28.7 65.45 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.113 0.565 . . . . 72.12 111.245 176.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.49 ' HA ' HG22 ' A' ' 71' ' ' THR . 26.6 mt -75.58 -38.91 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 124.901 1.281 . . . . 62.11 109.708 177.056 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -61.71 -45.86 92.16 Favored 'General case' 0 C--O 1.248 0.999 0 N-CA-C 109.148 -0.686 . . . . 64.51 109.148 176.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -61.06 -60.23 4.11 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 114.278 -1.328 . . . . 25.55 110.55 177.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.49 HG22 ' HA ' ' A' ' 68' ' ' ILE . 15.1 t -62.73 -38.99 92.7 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-O 119.194 -0.431 . . . . 74.25 112.138 -171.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.568 HD22 ' HG3' ' A' 1016 ' ' GLU . 44.8 mt -68.79 -42.34 77.51 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 111.998 0.37 . . . . 54.01 111.998 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -70.28 -46.59 64.03 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 120.786 0.327 . . . . 72.3 110.788 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.446 ' HA ' HD22 ' A' ' 22' ' ' LEU . 15.5 m120 -63.34 -42.84 98.98 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.519 1.128 . . . . 73.44 111.192 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.634 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 35.0 tt0 -75.18 -32.73 61.33 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 123.816 0.697 . . . . 65.44 110.756 -178.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -62.38 -42.6 99.54 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 108.98 -0.748 . . . . 73.41 108.98 175.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.4 mt -69.7 -34.73 74.32 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 115.013 -0.994 . . . . 74.4 111.368 174.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.634 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 5.6 mt -62.33 -64.61 0.88 Allowed 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.681 0.793 . . . . 70.42 109.864 177.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.476 ' O ' ' HB2' ' A' ' 83' ' ' GLN . 60.5 pttt -66.07 -29.88 70.3 Favored 'General case' 0 C--O 1.22 -0.495 0 O-C-N 124.044 0.84 . . . . 73.24 111.725 -176.23 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.29 -59.8 8.89 Favored Glycine 0 C--N 1.356 1.644 0 N-CA-C 111.506 -0.637 . . . . 52.42 111.506 174.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.476 HD22 ' HB1' ' A' ' 25' ' ' ALA . 6.8 tt -53.69 -51.42 63.28 Favored 'General case' 0 C--N 1.349 0.576 0 C-N-CA 124.021 0.928 . . . . 72.21 110.663 177.325 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.45 HD13 ' HE1' ' A' 1008 ' ' TRP . 28.9 mt -65.44 -32.02 73.42 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.647 1.179 . . . . 73.2 112.554 -175.5 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.476 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 0.2 OUTLIER -66.06 -48.43 71.07 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 107.57 -1.27 . . . . 75.2 107.57 176.625 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -61.39 -38.95 88.91 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 124.348 1.03 . . . . 73.51 111.494 177.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -69.62 -39.99 76.87 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-N 115.227 -0.897 . . . . 74.53 110.793 -177.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.536 HD11 ' HB3' ' A' 1005 ' ' LEU . 88.3 mt -74.73 -26.11 59.57 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 119.082 -0.485 . . . . 42.53 110.859 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -59.57 -51.69 68.77 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 108.517 -0.92 . . . . 74.22 108.517 168.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.514 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 11.6 tp10 -59.37 -60.11 4.38 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 124.792 1.307 . . . . 65.31 110.616 -178.442 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 95.8 mt -53.7 -41.91 67.46 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.345 1.458 . . . . 54.21 112.162 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 75.2 m -61.8 -47.58 84.46 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 110.253 -0.277 . . . . 75.31 110.253 174.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.7 m -64.49 -23.71 67.37 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.919 0.488 . . . . 70.43 112.176 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 47.0 mt -79.7 -52.9 7.36 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-O 121.562 0.696 . . . . 74.14 110.484 175.206 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.587 HD13 HD12 ' A' ' 113' ' ' ILE . 73.5 mt -89.4 -57.63 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-N 114.642 -1.163 . . . . 72.12 112.059 -165.514 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -134.26 71.96 0.48 Allowed Glycine 0 C--N 1.346 1.1 0 N-CA-C 110.386 -1.085 . . . . 72.4 110.386 -177.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -68.85 84.64 0.31 Allowed 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.464 1.106 . . . . 73.21 110.465 -174.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 99.4 t -108.07 -51.44 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.271 1.028 . . . . 74.13 108.752 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.439 HD13 ' N ' ' A' ' 98' ' ' PHE . 1.3 tm? -164.43 162.6 22.12 Favored 'General case' 0 C--O 1.245 0.838 0 N-CA-C 107.928 -1.138 . . . . 72.13 107.928 -175.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.439 ' N ' HD13 ' A' ' 97' ' ' LEU . 59.3 m-85 -60.72 152.17 27.45 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.801 0.841 . . . . 62.1 110.405 173.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.409 ' HG3' ' CB ' ' A' ' 86' ' ' LEU . 0.8 OUTLIER -60.4 104.04 0.29 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.024 0.53 . . . . 65.52 110.867 -177.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -88.0 166.88 35.77 Favored Glycine 0 CA--C 1.529 0.915 0 CA-C-O 118.738 -1.034 . . . . 63.43 111.011 167.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -54.44 -34.87 83.15 Favored 'Trans proline' 0 C--N 1.375 1.956 0 C-N-CA 123.131 2.554 . . . . 63.03 112.334 -178.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.3 t -155.56 126.08 6.83 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.354 1.062 . . . . 43.05 108.285 174.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -165.19 164.55 20.11 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.365 0.666 . . . . 73.23 109.838 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -77.42 73.21 2.06 Favored Glycine 0 C--N 1.347 1.159 0 N-CA-C 111.67 -0.572 . . . . 64.01 111.67 175.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 79.8 mt -118.35 132.98 56.25 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.712 1.205 . . . . 70.31 108.529 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 40.5 t 54.66 52.14 8.39 Favored Pre-proline 0 CA--C 1.577 2.016 0 O-C-N 124.364 1.04 . . . . 73.53 109.41 -169.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -84.91 -1.14 9.41 Favored 'Trans proline' 0 C--N 1.388 2.627 0 C-N-CA 123.169 2.579 . . . . 74.42 112.956 -169.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.684 ' HA ' ' HE ' ' A' ' 108' ' ' ARG . 0.1 OUTLIER -152.66 42.62 0.64 Allowed 'General case' 0 C--N 1.346 0.44 0 N-CA-C 107.839 -1.171 . . . . 72.22 107.839 173.707 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -71.44 84.38 0.44 Allowed Glycine 0 C--N 1.347 1.182 0 CA-C-N 114.469 -1.241 . . . . 75.21 112.959 -177.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 17.7 m 60.71 8.18 1.68 Allowed 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.726 1.21 . . . . 75.54 113.375 173.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 61.3 25.81 65.29 Favored Glycine 0 C--N 1.357 1.734 0 O-C-N 123.348 0.405 . . . . 63.43 113.087 -173.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -142.81 -65.63 0.02 OUTLIER Glycine 0 C--N 1.353 1.517 0 CA-C-N 116.936 0.368 . . . . 61.34 112.349 -172.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.587 HD12 HD13 ' A' ' 93' ' ' ILE . 18.7 pt -64.82 -14.56 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 C-N-CA 123.777 0.831 . . . . 73.34 112.822 -176.029 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -49.82 -37.62 31.28 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.286 1.034 . . . . 63.31 111.654 172.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -64.17 -40.89 98.45 Favored Glycine 0 C--N 1.355 1.609 0 O-C-N 123.837 0.711 . . . . 42.23 112.819 177.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 48.3 ttp -66.9 -42.09 86.07 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.094 0.958 . . . . 64.25 111.034 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 30.5 p -69.9 -41.83 74.2 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.367 0.267 . . . . 71.51 110.882 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 51.6 m -56.8 -47.79 79.41 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.396 0.678 . . . . 61.1 110.82 173.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1004 ' ' ARG . . . . . 0.48 ' HD3' HD22 ' A' ' 34' ' ' LEU . 60.9 mtt-85 -52.71 -60.5 3.18 Favored 'General case' 0 C--N 1.354 0.799 0 O-C-N 124.473 1.108 . . . . 71.44 110.643 175.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1005 ' ' LEU . . . . . 0.59 ' HA ' ' HB3' ' A' 1008 ' ' TRP . 59.7 mt -68.08 -28.71 67.59 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 124.353 1.033 . . . . 63.33 112.89 -171.086 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 41.4 p -71.93 -45.79 59.88 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 118.535 0.607 . . . . 73.32 109.791 175.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -66.19 -27.85 68.31 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 122.903 0.481 . . . . 74.04 111.598 174.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1008 ' ' TRP . . . . . 0.59 ' HB3' ' HA ' ' A' 1005 ' ' LEU . 4.4 t-105 -71.98 -45.26 61.67 Favored 'General case' 0 C--O 1.217 -0.61 0 C-N-CA 125.039 1.335 . . . . 74.12 109.757 179.056 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1009 ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' 1005 ' ' LEU . 72.6 mt -70.81 -32.79 69.98 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 109.505 -0.554 . . . . 55.1 109.505 -178.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 52.5 m -59.67 -48.53 81.29 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 114.334 -1.303 . . . . 71.35 110.18 170.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -70.31 -30.92 68.02 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.697 0.799 . . . . 72.33 111.82 -178.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1012 ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' 1008 ' ' TRP . 18.1 mt -71.07 -54.63 10.47 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.674 0.609 . . . . 71.33 109.755 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 11.5 t70 -63.4 -32.63 74.11 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 115.854 -0.612 . . . . 74.52 110.542 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 5.7 t30 -60.74 -47.99 83.8 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.353 1.061 . . . . 70.42 110.563 172.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1015 ' ' PHE . . . . . 0.428 ' CD2' HG23 ' A' ' 44' ' ' ILE . 38.5 t80 -60.6 -58.63 7.66 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 123.848 0.717 . . . . 73.03 110.187 178.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1016 ' ' GLU . . . . . 0.568 ' HG3' HD22 ' A' ' 72' ' ' LEU . 33.5 tt0 -51.2 -49.77 60.35 Favored 'General case' 0 C--N 1.354 0.777 0 O-C-N 124.646 1.216 . . . . 54.03 112.233 -178.206 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1017 ' ' ALA . . . . . 0.441 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -61.52 -57.99 9.91 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 123.96 0.788 . . . . 70.41 111.025 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -64.4 -30.23 71.27 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 115.762 -0.654 . . . . 50.2 112.163 -175.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1019 ' ' MET . . . . . 0.592 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.8 OUTLIER -84.61 -22.01 30.13 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 120.572 0.225 . . . . 62.44 111.007 -178.161 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -71.78 -27.82 63.21 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.931 0.492 . . . . 54.45 109.998 166.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1021 ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' 1017 ' ' ALA . 85.8 mt -80.5 -24.21 39.57 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.557 0.743 . . . . 43.25 111.752 175.091 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1022 ' ' LEU . . . . . 0.592 ' HG ' ' HA ' ' A' 1019 ' ' MET . 30.9 mt -49.22 112.59 2.59 Favored Pre-proline 0 N--CA 1.499 1.993 0 C-N-CA 123.499 0.72 . . . . 72.22 111.831 175.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -78.27 90.92 1.22 Allowed 'Trans proline' 0 C--N 1.376 2.005 0 C-N-CA 123.171 2.581 . . . . 63.43 111.851 -172.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1024 ' ' ALA . . . . . 0.542 ' HB3' ' HA ' ' A' ' 54' ' ' PRO . . . 65.89 36.48 5.99 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.377 1.071 . . . . 75.34 110.168 -170.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1025 ' ' VAL . . . . . 0.52 ' HA ' ' HB3' ' A' 1022 ' ' LEU . 4.0 t . . . . . 0 C--O 1.25 1.132 0 C-N-CA 126.643 1.977 . . . . 61.52 110.35 178.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.48 1.056 0 CA-C-O 119.537 -0.268 . . . . 72.14 111.039 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.9 p -55.93 -45.66 78.7 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.91 0.484 . . . . 64.24 111.51 -177.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.3 p -53.65 -48.33 69.51 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.955 0.902 . . . . 73.44 111.291 174.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 75.9 m -64.12 -54.25 36.76 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.791 1.236 . . . . 64.05 112.631 -177.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.0 p -65.6 -39.8 86.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 123.089 0.556 . . . . 73.51 110.342 -174.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -64.18 -42.3 96.75 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 110.158 -0.312 . . . . 73.03 110.158 175.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.455 ' HZ ' HG21 ' A' 1025 ' ' VAL . 20.5 t80 -55.6 -51.88 65.67 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 123.779 0.832 . . . . 74.44 110.636 178.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 72.3 mt -63.63 -46.27 95.27 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.996 0 C-N-CA 124.546 1.138 . . . . 62.2 111.347 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -70.22 -36.77 74.77 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.376 0.671 . . . . 63.02 112.038 -175.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.513 ' O ' HG13 ' A' ' 14' ' ' ILE . 69.0 mtt180 -69.47 -46.34 66.88 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 109.075 -0.713 . . . . 63.45 109.075 178.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 30.4 m95 -58.17 -40.63 81.96 Favored 'General case' 0 N--CA 1.483 1.193 0 O-C-N 123.911 0.757 . . . . 73.44 111.603 174.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -64.38 -42.31 96.22 Favored 'General case' 0 C--N 1.35 0.598 0 O-C-N 123.735 0.647 . . . . 64.4 110.125 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.9 ttm-85 -61.8 -43.0 99.71 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 124.071 0.857 . . . . 75.55 110.259 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 10' ' ' ARG . 62.0 mt -65.23 -39.97 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 O-C-N 123.749 0.655 . . . . 60.34 110.628 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.09 -47.5 79.83 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.678 0.791 . . . . 74.22 111.005 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.59 -45.34 87.36 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.893 0.877 . . . . 75.14 110.647 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 51.1 mt -62.15 -47.85 82.71 Favored 'General case' 0 C--O 1.21 -0.999 0 O-C-N 124.044 0.84 . . . . 75.12 110.552 178.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.7 t -62.76 -40.8 98.39 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 123.827 0.704 . . . . 74.54 110.679 -175.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -64.76 -49.95 68.73 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 124.045 0.84 . . . . 62.24 110.689 178.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.483 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 55.9 m -54.68 -50.72 67.56 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 124.402 1.064 . . . . 70.22 110.61 176.102 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.564 HD23 HD12 ' A' ' 24' ' ' LEU . 95.4 mt -66.47 -32.33 73.62 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 124.413 1.085 . . . . 65.23 111.096 -176.231 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.507 HD22 ' HA ' ' A' ' 74' ' ' ASN . 58.6 tp -64.83 -48.8 73.06 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 109.715 -0.476 . . . . 71.34 109.715 176.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -57.02 -48.27 78.89 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 124.219 0.95 . . . . 70.33 109.858 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.616 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 92.8 mt -54.2 -44.64 71.8 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.61 0.764 . . . . 71.32 111.208 177.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.602 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -63.98 -35.61 81.25 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.471 0.708 . . . . 61.13 111.569 179.169 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 10.7 mm100 -67.45 -32.24 72.95 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 123.162 0.585 . . . . 74.43 111.57 175.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.412 HH11 ' HB2' ' A' ' 26' ' ' GLN . 11.0 mpt_? -86.54 -22.23 26.46 Favored 'General case' 0 N--CA 1.497 1.896 0 C-N-CA 122.811 0.444 . . . . 71.3 111.621 177.49 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.75 32.16 10.42 Favored Glycine 0 N--CA 1.467 0.725 0 N-CA-C 113.323 0.089 . . . . 71.3 113.323 -176.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.616 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 10.1 mm-40 -83.85 63.68 7.66 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.289 1.036 . . . . 65.31 109.572 175.433 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 31.2 m95 -62.6 -32.65 73.7 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.03 0.932 . . . . 74.14 110.567 -175.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -62.59 -53.45 54.47 Favored 'General case' 0 C--O 1.246 0.885 0 C-N-CA 124.381 1.072 . . . . 75.44 110.54 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 78.5 mt -64.36 -28.12 69.48 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 116.025 -0.534 . . . . 72.21 110.822 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.7 mt -66.52 -49.44 66.52 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 122.908 0.483 . . . . 72.52 110.622 173.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.8 mt -65.3 -31.96 73.37 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.767 0.827 . . . . 71.51 112.155 -177.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -74.3 -57.06 4.19 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 123.336 0.654 . . . . 73.51 110.264 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -74.9 -10.81 59.84 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.296 1.039 . . . . 73.35 112.599 -177.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -47.94 -46.27 31.96 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.655 1.182 . . . . 74.03 110.805 169.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.8 t -62.05 -45.98 97.51 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.014 0 CA-C-N 115.356 -0.838 . . . . 72.21 110.633 178.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.2 m -61.48 -45.34 94.67 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.529 0.732 . . . . 73.23 111.748 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -68.0 -49.37 61.99 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.987 0.915 . . . . 63.15 111.424 -175.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.9 mt -68.48 -26.96 65.74 Favored 'General case' 0 CA--C 1.553 1.072 0 O-C-N 123.744 0.652 . . . . 73.43 110.7 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -66.7 -45.27 79.29 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.998 0.519 . . . . 72.24 110.674 171.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.0 m -63.25 -38.87 92.87 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 116.085 -0.507 . . . . 72.41 110.658 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.433 HG23 ' CD2' ' A' 1015 ' ' PHE . 43.5 mt -60.81 -55.26 25.8 Favored 'Isoleucine or valine' 0 C--O 1.252 1.216 0 C-N-CA 124.487 1.115 . . . . 72.31 111.198 176.299 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -63.28 -36.19 82.84 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 116.325 -0.398 . . . . 75.15 110.727 -175.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.2 t -77.88 -27.28 49.65 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-O 119.384 -0.341 . . . . 61.02 111.405 -177.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.417 HG23 ' HB2' ' A' ' 10' ' ' ARG . 1.5 p -75.76 -34.36 28.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 CA-C-N 118.956 0.798 . . . . 75.13 110.616 175.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 35.3 ttm -79.12 -21.63 46.3 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 121.181 0.515 . . . . 75.24 109.764 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -65.7 -33.48 75.98 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.916 1.286 . . . . 73.52 110.667 167.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.6 tpmt? -75.64 108.03 8.2 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.685 0.794 . . . . 64.23 110.434 -177.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -71.84 117.96 14.09 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.97 0.908 . . . . 75.44 109.263 173.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.3 m -67.37 128.88 93.76 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 123.895 0.878 . . . . 61.54 109.766 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.06 153.08 80.05 Favored 'Trans proline' 0 C--N 1.376 1.987 0 C-N-CA 121.523 1.482 . . . . 62.42 111.007 174.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.59 -47.1 20.27 Favored 'Trans proline' 0 C--N 1.375 1.946 0 C-N-CA 122.716 2.277 . . . . 55.41 111.946 177.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -70.48 86.6 0.34 Allowed Glycine 0 C--N 1.351 1.375 0 O-C-N 123.67 0.606 . . . . 74.52 112.451 177.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.9 tp -107.07 105.18 18.3 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.863 0 C-N-CA 124.754 1.221 . . . . 65.45 108.601 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.0 t -87.46 166.08 15.06 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.996 0.519 . . . . 73.34 110.744 -178.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 64.9 mmt-85 -68.85 -23.53 64.25 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.918 0.887 . . . . 75.5 112.205 -167.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.4 m -67.11 -53.96 25.86 Favored 'General case' 0 C--O 1.248 0.989 0 C-N-CA 123.275 0.63 . . . . 70.55 109.962 176.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 22.7 mt -60.76 -44.9 98.37 Favored 'Isoleucine or valine' 0 C--N 1.356 0.885 0 CA-C-N 114.937 -1.029 . . . . 74.24 109.179 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -62.46 -41.23 98.62 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 124.289 0.993 . . . . 71.4 111.277 -177.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -64.4 -52.7 56.88 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 123.414 0.446 . . . . 51.4 110.186 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 72.9 mtm -60.41 -51.33 69.94 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 124.03 0.831 . . . . 54.44 111.25 -177.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 37.5 t -62.85 -48.98 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 124.182 0.993 . . . . 62.01 111.372 -177.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.94 -29.33 70.71 Favored 'General case' 0 N--CA 1.482 1.147 0 O-C-N 123.536 0.523 . . . . 62.45 111.009 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.25 -46.81 89.83 Favored Glycine 0 C--N 1.348 1.229 0 O-C-N 123.969 0.793 . . . . 73.31 111.732 173.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -69.83 -30.29 67.75 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.598 0.759 . . . . 71.02 110.758 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.483 HG23 ' HE1' ' A' 1019 ' ' MET . 16.1 mt -64.76 -56.02 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 124.956 1.302 . . . . 63.3 109.838 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -69.84 -31.33 69.14 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 123.411 0.445 . . . . 74.22 110.824 -178.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -59.34 -59.3 5.68 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 123.951 0.782 . . . . 74.53 109.43 174.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.495 ' OG1' HG22 ' A' ' 14' ' ' ILE . 14.0 t -66.37 -43.97 84.45 Favored 'General case' 0 C--O 1.213 -0.839 0 CA-C-O 118.687 -0.673 . . . . 64.53 111.346 -173.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.462 HD21 ' SD ' ' A' 1019 ' ' MET . 90.1 mt -63.52 -34.14 77.13 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.124 0.57 . . . . 73.04 111.593 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -66.57 -55.8 13.73 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.06 0.225 . . . . 71.52 110.657 175.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.507 ' HA ' HD22 ' A' ' 22' ' ' LEU . 67.1 m-80 -61.74 -33.95 74.96 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 123.438 0.461 . . . . 64.21 111.112 -177.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.45 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 39.3 tt0 -78.36 -32.87 49.2 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.436 1.094 . . . . 71.31 111.442 -177.412 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -66.95 -43.39 83.29 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 109.322 -0.622 . . . . 70.54 109.322 174.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 34.0 mt -65.91 -38.6 89.11 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-N 115.936 -0.575 . . . . 73.53 110.847 174.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.45 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 16.4 mt -59.24 -44.62 92.35 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.626 0.77 . . . . 42.24 110.3 172.507 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.47 ' HA ' HD22 ' A' 1009 ' ' LEU . 38.7 ttmt -66.07 -44.89 83.18 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 123.768 0.668 . . . . 74.12 110.201 -173.429 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.76 -45.54 74.55 Favored Glycine 0 C--N 1.352 1.423 0 O-C-N 123.946 0.779 . . . . 52.13 112.935 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.602 HD22 ' HB1' ' A' ' 25' ' ' ALA . 10.1 tt -64.7 -48.14 75.76 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.525 0.73 . . . . 72.52 110.527 -178.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.2 mt -74.57 -23.17 58.72 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.894 0.877 . . . . 75.22 111.504 -178.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 16.6 tm0? -67.51 -50.76 57.37 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 108.074 -1.084 . . . . 64.44 108.074 172.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -65.86 -31.41 72.34 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 124.147 0.905 . . . . 61.12 110.902 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -64.37 -54.77 27.64 Favored 'General case' 0 C--N 1.352 0.683 0 N-CA-C 109.316 -0.624 . . . . 74.52 109.316 176.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.509 HD11 ' HB3' ' A' 1005 ' ' LEU . 90.7 mt -64.47 -33.02 74.92 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 123.674 0.609 . . . . 54.51 111.474 179.22 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -63.53 -47.23 82.49 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.737 0.815 . . . . 65.13 110.125 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.536 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 36.9 tt0 -64.04 -56.9 11.66 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 115.153 -0.93 . . . . 71.44 109.844 177.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 96.3 mt -50.99 -40.81 58.85 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 124.393 1.077 . . . . 64.12 111.844 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.3 m -61.29 -49.52 76.72 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 124.028 0.83 . . . . 72.34 109.99 175.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.6 t -65.71 -24.16 66.92 Favored 'General case' 0 CA--C 1.557 1.233 0 O-C-N 124.125 0.891 . . . . 74.0 112.166 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 69.8 mt -81.41 -49.86 10.15 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 122.929 0.492 . . . . 73.44 110.365 -179.314 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 93.4 mt -69.68 -42.82 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 124.401 1.08 . . . . 74.21 110.804 -177.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -150.34 102.44 0.23 Allowed Glycine 0 C--N 1.339 0.709 0 N-CA-C 110.24 -1.144 . . . . 33.24 110.24 177.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -51.99 -33.51 38.5 Favored 'General case' 0 N--CA 1.496 1.847 0 C-N-CA 124.548 1.139 . . . . 71.1 111.397 -172.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.1 p -159.75 75.91 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.555 1.145 0 CA-C-N 114.445 -1.252 . . . . 53.25 109.005 174.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -73.86 -46.37 45.25 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 107.75 -1.204 . . . . 61.3 107.75 174.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -111.13 153.98 24.95 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.067 0.947 . . . . 74.53 108.613 172.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -72.36 148.01 45.71 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.297 0.639 . . . . 72.34 110.521 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 77.39 -163.69 51.92 Favored Glycine 0 C--N 1.345 1.041 0 O-C-N 123.383 0.427 . . . . 62.11 113.845 173.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -85.69 36.96 0.54 Allowed 'Trans proline' 0 C--N 1.366 1.47 0 C-N-CA 123.548 2.832 . . . . 73.33 113.837 -175.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.6 m -64.45 107.96 1.51 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.258 0.623 . . . . 61.01 110.674 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.99 84.07 0.97 Allowed 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 121.393 0.616 . . . . 51.22 109.415 175.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 145.98 50.19 0.03 OUTLIER Glycine 0 C--N 1.343 0.926 0 CA-C-N 114.894 -1.048 . . . . 62.34 111.165 -174.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 64.8 mt -80.85 60.0 3.93 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.223 1.009 . . . . 72.42 109.875 177.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 27.4 m -136.81 133.97 19.08 Favored Pre-proline 0 CA--C 1.546 0.802 0 N-CA-C 107.533 -1.284 . . . . 72.0 107.533 -177.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -84.85 145.9 10.24 Favored 'Trans proline' 0 C--N 1.361 1.194 0 C-N-CA 121.823 1.682 . . . . 72.41 111.309 174.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.81 175.45 7.25 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 122.561 0.344 . . . . 65.31 110.921 176.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.43 2.49 84.46 Favored Glycine 0 CA--C 1.531 1.039 0 CA-C-N 116.345 -0.389 . . . . 62.41 113.344 -176.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 40.2 p -90.72 -155.53 0.39 Allowed 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 123.88 0.872 . . . . 73.1 109.742 177.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -152.6 139.26 6.87 Favored Glycine 0 C--N 1.353 1.524 0 CA-C-N 118.346 0.521 . . . . 73.33 113.416 -177.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 81.04 -66.86 3.7 Favored Glycine 0 C--N 1.35 1.354 0 C-N-CA 123.241 0.448 . . . . 50.4 112.665 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.405 HG13 ' N ' ' A' ' 114' ' ' GLU . 45.2 pt -57.09 -42.18 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.697 1.199 . . . . 52.51 111.858 -178.687 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.405 ' N ' HG13 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -73.02 -29.44 63.02 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.46 -0.791 . . . . 63.52 111.564 -174.458 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.65 -43.46 51.94 Favored Glycine 0 C--N 1.349 1.253 0 N-CA-C 111.591 -0.603 . . . . 70.24 111.591 177.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 46.4 ttp -58.57 -51.3 70.48 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.163 0.985 . . . . 74.53 110.638 176.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 40.1 p -66.91 -46.02 76.13 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 115.672 -0.694 . . . . 64.12 111.362 -178.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 48.8 m -56.69 -49.76 74.16 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 122.887 0.475 . . . . 61.52 111.356 179.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 60.8 mtt-85 -58.55 -54.9 41.84 Favored 'General case' 0 C--N 1.354 0.761 0 O-C-N 124.191 0.932 . . . . 75.32 110.693 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1005 ' ' LEU . . . . . 0.519 ' HA ' ' HB3' ' A' 1008 ' ' TRP . 63.2 mt -70.28 -29.34 66.08 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 124.048 0.842 . . . . 74.44 112.955 -173.075 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 41.3 p -72.51 -47.15 50.77 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 118.66 0.664 . . . . 54.13 109.836 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 48.6 ttt85 -60.0 -34.97 74.05 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.666 0.786 . . . . 74.4 110.501 173.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1008 ' ' TRP . . . . . 0.519 ' HB3' ' HA ' ' A' 1005 ' ' LEU . 1.0 OUTLIER -66.08 -48.58 70.52 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 124.815 1.246 . . . . 64.14 109.843 178.753 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1009 ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' 1005 ' ' LEU . 88.6 mt -68.13 -33.29 74.22 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 109.493 -0.558 . . . . 53.14 109.493 -176.159 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 95.3 m -60.77 -51.23 70.24 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.16 -1.382 . . . . 63.24 110.075 173.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -68.03 -29.31 68.27 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.612 0.765 . . . . 74.11 110.906 -178.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1012 ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' 1008 ' ' TRP . 20.0 mt -66.53 -43.92 83.86 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 109.305 -0.628 . . . . 71.32 109.305 175.469 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 19.6 t70 -72.59 -40.9 66.2 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 114.974 -1.012 . . . . 71.42 111.462 -175.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 52.7 m-80 -72.24 -33.63 67.67 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.998 0.519 . . . . 40.23 110.556 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1015 ' ' PHE . . . . . 0.433 ' CD2' HG23 ' A' ' 44' ' ' ILE . 26.7 t80 -60.25 -60.46 3.78 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 109.004 -0.739 . . . . 73.3 109.004 170.359 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1016 ' ' GLU . . . . . 0.42 ' HG3' HD22 ' A' ' 72' ' ' LEU . 54.6 tt0 -50.28 -43.59 53.44 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 124.811 1.319 . . . . 75.44 112.088 -178.547 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1017 ' ' ALA . . . . . 0.434 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -62.94 -61.68 2.23 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.764 0.665 . . . . 63.13 110.711 179.331 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -62.27 -36.27 81.54 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.891 0.876 . . . . 74.31 112.536 -175.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1019 ' ' MET . . . . . 0.483 ' HE1' HG23 ' A' ' 68' ' ' ILE . 0.5 OUTLIER -79.8 -27.32 40.35 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 110.183 -0.303 . . . . 75.22 110.183 -176.075 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -72.77 -26.86 61.69 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 122.346 0.258 . . . . 70.43 110.614 167.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1021 ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' 1017 ' ' ALA . 95.2 mt -76.19 -19.9 58.0 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.34 0.656 . . . . 70.24 111.713 175.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1022 ' ' LEU . . . . . 0.472 ' HG ' ' HA ' ' A' 1019 ' ' MET . 94.4 mt -51.35 109.25 1.29 Allowed Pre-proline 0 N--CA 1.494 1.733 0 CA-C-O 119.317 -0.373 . . . . 73.44 110.526 169.309 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -90.58 30.54 0.36 Allowed 'Trans proline' 0 C--N 1.378 2.098 0 C-N-CA 123.081 2.521 . . . . 72.35 112.31 -175.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -128.1 -46.98 1.36 Allowed 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.121 0.968 . . . . 54.31 109.556 -175.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1025 ' ' VAL . . . . . 0.455 HG21 ' HZ ' ' A' ' 7' ' ' PHE . 17.0 m . . . . . 0 C--O 1.252 1.208 0 C-N-CA 124.421 1.088 . . . . 75.2 109.977 -177.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 ppp? . . . . . 0 N--CA 1.476 0.848 0 CA-C-O 119.612 -0.232 . . . . 63.31 111.472 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.2 p -66.05 -59.85 3.4 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.115 0.566 . . . . 71.44 111.39 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 m -64.59 -25.88 68.16 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.816 0.846 . . . . 71.44 110.971 179.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 87.3 m -63.96 -55.85 19.48 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.317 1.047 . . . . 51.3 110.488 175.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 71.9 t -59.36 -42.37 87.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 CA-C-N 115.883 -0.599 . . . . 73.42 110.242 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.574 ' HB3' HH11 ' A' ' 10' ' ' ARG . 44.8 mt-10 -56.51 -53.23 59.99 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.749 0.419 . . . . 72.01 111.214 176.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -62.56 -52.9 61.61 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.077 0.951 . . . . 74.14 110.967 -173.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.521 HD11 HG12 ' A' ' 60' ' ' ILE . 53.2 mt -69.73 -38.65 76.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 123.541 0.736 . . . . 72.42 111.356 -174.149 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -75.36 -26.57 58.64 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 122.787 0.435 . . . . 65.14 111.544 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.574 HH11 ' HB3' ' A' ' 6' ' ' GLU . 43.1 mtt85 -72.29 -47.11 52.51 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 119.191 -0.433 . . . . 65.42 109.937 172.382 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -60.08 -37.78 80.92 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 122.554 0.342 . . . . 71.1 111.115 174.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.442 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 18.6 tp60 -56.19 -53.95 51.06 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.161 0.984 . . . . 53.31 109.405 174.476 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -59.21 -42.37 90.8 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 124.145 0.903 . . . . 65.21 111.274 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 10' ' ' ARG . 73.1 mt -66.11 -42.15 90.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 123.502 0.721 . . . . 74.43 110.456 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.17 -43.95 93.55 Favored 'General case' 0 C--O 1.245 0.853 0 C-N-CA 123.217 0.607 . . . . 71.25 111.023 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 91.5 mt -66.74 -47.19 73.03 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.145 -0.934 . . . . 62.41 110.578 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.7 mt -60.18 -50.91 71.81 Favored 'General case' 0 C--O 1.212 -0.912 0 C-N-CA 123.34 0.656 . . . . 62.33 110.056 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.5 t -60.33 -39.28 86.51 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.439 0.696 . . . . 63.02 111.187 -177.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.42 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 61.2 tt0 -64.33 -47.79 78.04 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.582 0.753 . . . . 73.23 110.824 177.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.471 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 68.0 m -60.49 -54.31 47.03 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 115.475 -0.784 . . . . 61.32 110.094 179.219 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.555 HD13 ' HH2' ' A' 1008 ' ' TRP . 83.9 mt -56.04 -34.35 65.81 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.247 1.419 . . . . 72.01 111.401 178.142 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.626 HD22 ' HA ' ' A' ' 74' ' ' ASN . 52.2 tp -63.89 -53.72 46.11 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 123.812 0.695 . . . . 64.35 110.211 177.498 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 19' ' ' GLN . 16.9 mm-40 -56.05 -43.22 77.69 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 124.15 0.906 . . . . 72.01 110.63 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.504 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 76.7 mt -60.93 -48.04 83.65 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-N 114.136 -1.393 . . . . 72.32 110.667 177.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.503 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -63.17 -38.34 90.8 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.504 0.722 . . . . 74.34 111.38 -178.484 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -66.54 -31.39 72.07 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.53 0.732 . . . . 73.45 110.419 177.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 65.8 mtp85 -95.43 -6.33 41.08 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 112.738 0.644 . . . . 75.12 112.738 177.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.36 27.97 41.85 Favored Glycine 0 CA--C 1.537 1.46 0 N-CA-C 115.218 0.847 . . . . 42.33 115.218 175.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.504 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 25.4 mm-40 -89.74 64.86 6.64 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.077 0.951 . . . . 74.32 110.461 178.056 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.412 ' HH2' HD21 ' A' ' 81' ' ' LEU . 32.1 m95 -63.35 -27.97 69.68 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.985 0.914 . . . . 72.12 112.105 -173.129 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.22 -45.92 91.55 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.295 1.038 . . . . 71.13 110.93 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.485 HD12 HD22 ' A' ' 24' ' ' LEU . 80.8 mt -72.81 -24.66 60.94 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 115.56 -0.746 . . . . 63.23 111.036 -179.65 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.547 ' HA ' HD22 ' A' ' 21' ' ' LEU . 11.2 mp -66.05 -46.25 78.5 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 110.11 -0.33 . . . . 72.12 110.11 170.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.5 mt -70.54 -29.98 66.59 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.371 0.668 . . . . 73.23 111.095 -178.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -69.62 -52.19 28.2 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.958 0.903 . . . . 74.13 110.573 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.545 ' HB2' HD21 ' A' ' 21' ' ' LEU . 86.7 mt-30 -87.44 -9.2 55.29 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 114.456 -1.247 . . . . 72.4 111.853 -174.244 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.419 ' HG3' ' HE3' ' A' 1008 ' ' TRP . 32.2 tt0 -46.15 -58.6 3.5 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.626 1.17 . . . . 64.4 112.132 174.293 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.5 p -54.55 -41.97 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 O-C-N 124.188 0.93 . . . . 72.13 110.928 -178.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.3 m -67.21 -47.91 69.43 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.594 0.758 . . . . 73.3 111.251 -177.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -63.3 -47.24 83.12 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.105 0.962 . . . . 74.53 111.751 -178.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -66.72 -38.56 86.95 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.226 0.61 . . . . 75.32 110.68 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.577 ' HA ' ' HG2' ' A' ' 45' ' ' GLU . 98.5 mt-30 -72.29 -28.3 63.01 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 116.171 -0.468 . . . . 60.11 111.298 177.049 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.9 m -67.87 -42.19 81.68 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-O 121.099 0.475 . . . . 71.12 109.999 173.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.491 HG23 ' CD2' ' A' 1015 ' ' PHE . 35.6 mt -57.04 -55.96 17.45 Favored 'Isoleucine or valine' 0 C--O 1.244 0.8 0 C-N-CA 124.721 1.209 . . . . 74.52 110.863 176.291 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.577 ' HG2' ' HA ' ' A' ' 42' ' ' GLN . 12.7 pt-20 -69.03 -33.77 74.15 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.682 -0.69 . . . . 74.34 111.118 -174.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.454 ' O ' ' HG2' ' A' ' 50' ' ' LYS . 9.7 t -74.83 -30.53 61.4 Favored 'General case' 0 C--N 1.361 1.076 0 CA-C-O 118.958 -0.544 . . . . 74.4 111.482 -178.15 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.9 p -76.05 -38.03 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 CA-C-N 118.831 0.742 . . . . 63.53 110.38 175.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 51.8 ttm -73.08 -20.2 61.01 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.789 -0.641 . . . . 65.33 109.753 177.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -70.58 -35.47 73.05 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-N 115.668 -0.696 . . . . 71.01 110.025 171.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 46' ' ' THR . 1.4 mmmp? -78.4 85.92 4.48 Favored 'General case' 0 C--N 1.359 0.987 0 N-CA-C 109.857 -0.423 . . . . 71.31 109.857 -179.505 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -72.64 103.43 3.58 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.354 -0.839 . . . . 73.02 109.113 175.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.2 p -92.62 154.37 42.41 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 124.056 0.942 . . . . 75.31 109.964 177.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_endo -57.87 155.08 34.58 Favored 'Trans proline' 0 C--N 1.38 2.207 0 C-N-CA 122.666 2.244 . . . . 74.32 112.679 178.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -60.93 -46.03 17.76 Favored 'Trans proline' 0 C--N 1.378 2.101 0 C-N-CA 123.439 2.76 . . . . 74.24 112.25 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -72.38 78.59 0.69 Allowed Glycine 0 C--N 1.348 1.245 0 CA-C-N 115.087 -0.961 . . . . 73.03 112.442 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 13.4 mm -90.5 124.96 43.34 Favored 'Isoleucine or valine' 0 C--O 1.241 0.65 0 C-N-CA 124.076 0.95 . . . . 73.44 109.502 177.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.8 t -60.72 155.29 19.52 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.94 0.896 . . . . 61.54 111.507 176.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -56.33 -39.73 73.3 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.198 0.999 . . . . 74.54 112.536 -173.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.9 p -56.1 -57.71 11.03 Favored 'General case' 0 C--O 1.25 1.118 0 O-C-N 123.589 0.556 . . . . 72.11 111.093 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.521 HG12 HD11 ' A' ' 8' ' ' ILE . 68.9 mt -60.65 -45.19 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-N 115.565 -0.743 . . . . 72.0 110.04 178.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -58.92 -43.44 91.11 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 123.667 0.605 . . . . 71.13 111.507 -175.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -74.32 -43.51 56.41 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 122.701 0.401 . . . . 50.32 111.727 -178.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 71.5 mtm -64.21 -54.52 32.26 Favored 'General case' 0 N--CA 1.483 1.214 0 O-C-N 123.228 0.33 . . . . 64.2 110.147 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 37.8 t -57.89 -43.76 85.14 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.572 0 C-N-CA 123.972 0.909 . . . . 71.35 111.165 177.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.12 -33.64 74.86 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-N 117.944 0.338 . . . . 73.3 111.375 177.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.27 -48.47 82.39 Favored Glycine 0 C--N 1.348 1.24 0 O-C-N 123.95 0.781 . . . . 52.14 111.461 175.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -68.93 -30.68 69.18 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.31 0.644 . . . . 71.1 111.442 178.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.473 HG23 ' HE1' ' A' 1019 ' ' MET . 13.5 mt -66.88 -57.59 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.616 1.167 . . . . 74.05 110.263 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -66.39 -33.86 76.66 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 122.496 0.319 . . . . 63.3 111.029 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -60.45 -54.69 42.58 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 123.759 0.662 . . . . 74.14 110.127 175.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.486 ' OG1' HG22 ' A' ' 14' ' ' ILE . 11.3 t -69.57 -35.79 75.69 Favored 'General case' 0 C--O 1.211 -0.947 0 CA-C-O 118.859 -0.591 . . . . 74.2 111.575 -175.051 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.479 HD21 ' SD ' ' A' 1019 ' ' MET . 69.4 mt -69.57 -36.14 76.01 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.03 0.532 . . . . 74.25 111.465 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -72.8 -47.56 45.56 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.014 0.526 . . . . 73.13 110.585 177.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.626 ' HA ' HD22 ' A' ' 22' ' ' LEU . 93.1 m-20 -59.38 -41.68 89.93 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.343 -0.844 . . . . 73.42 110.312 176.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 41.0 tt0 -71.26 -35.49 71.4 Favored 'General case' 0 C--O 1.214 -0.804 0 CA-C-N 115.366 -0.834 . . . . 63.13 110.619 179.294 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -58.66 -50.48 73.7 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.271 0.628 . . . . 74.45 110.07 177.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.25 -36.19 81.11 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 114.71 -1.132 . . . . 73.14 110.637 177.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.476 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 8.1 mt -56.52 -63.84 1.06 Allowed 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.511 0.724 . . . . 64.24 110.771 175.425 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.6 ' HB3' HD12 ' A' 1012 ' ' LEU . 34.3 pttt -73.26 -22.08 60.47 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 118.91 -0.567 . . . . 63.13 112.4 -172.326 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -69.29 -50.48 32.71 Favored Glycine 0 C--N 1.346 1.139 0 N-CA-C 111.655 -0.578 . . . . 61.34 111.655 172.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.503 HD22 ' HB1' ' A' ' 25' ' ' ALA . 8.3 tt -66.14 -38.9 89.26 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.054 0.941 . . . . 60.41 110.991 178.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.413 HD13 ' HE1' ' A' 1008 ' ' TRP . 28.4 mt -73.86 -29.43 62.1 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.117 0.967 . . . . 65.23 111.016 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 20.7 tm0? -65.89 -48.51 71.25 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 108.409 -0.96 . . . . 75.35 108.409 172.286 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -66.66 -29.59 69.65 Favored 'General case' 0 N--CA 1.485 1.31 0 O-C-N 123.728 0.643 . . . . 73.24 111.275 178.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.45 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 19.5 tpt180 -67.6 -55.85 11.76 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 109.255 -0.646 . . . . 75.12 109.255 177.26 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.456 HD11 ' HB3' ' A' 1005 ' ' LEU . 96.1 mt -64.91 -26.78 68.46 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.132 0.573 . . . . 63.44 111.463 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -62.26 -52.83 62.14 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.594 1.158 . . . . 64.34 109.611 173.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.53 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 35.4 tt0 -58.89 -54.31 48.58 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 114.691 -1.14 . . . . 74.33 110.399 176.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.456 HD12 HD23 ' A' ' 86' ' ' LEU . 98.1 mt -56.55 -44.31 80.78 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.588 1.155 . . . . 61.23 111.92 -176.617 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 88.7 p -70.07 -32.04 69.93 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 122.479 0.312 . . . . 43.53 110.312 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.468 ' HA ' ' HA ' ' A' ' 95' ' ' GLN . 38.7 t -68.48 -32.63 72.76 Favored 'General case' 0 CA--C 1.552 1.032 0 O-C-N 123.643 0.589 . . . . 60.34 111.143 172.404 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 77.7 mt -72.36 -45.91 57.76 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.265 0.626 . . . . 72.44 110.334 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.509 HD12 HG21 ' A' ' 106' ' ' VAL . 83.2 mt -69.82 -42.56 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 123.974 0.91 . . . . 72.23 109.906 -179.302 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -151.08 -91.71 0.09 OUTLIER Glycine 0 C--N 1.337 0.585 0 N-CA-C 111.036 -0.826 . . . . 51.42 111.036 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.468 ' HA ' ' HA ' ' A' ' 91' ' ' SER . 0.0 OUTLIER -160.92 141.89 11.64 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 124.117 0.967 . . . . 73.41 109.273 178.002 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.0 p -85.22 129.91 37.04 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 C-N-CA 123.193 0.597 . . . . 65.23 110.092 177.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 23.0 tp -78.5 86.17 4.54 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 121.337 0.589 . . . . 61.1 109.507 178.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 26.6 p90 -57.98 -42.82 85.89 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.983 1.313 . . . . 73.04 111.51 175.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -83.54 98.67 9.69 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 121.716 0.77 . . . . 52.22 109.176 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.71 67.13 1.57 Allowed Glycine 0 CA--C 1.534 1.275 0 CA-C-N 115.379 -0.828 . . . . 52.11 111.785 -173.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -73.25 110.76 3.12 Favored 'Trans proline' 0 C--N 1.377 2.052 0 C-N-CA 122.6 2.2 . . . . 63.53 111.479 -178.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.2 p -142.14 168.24 20.21 Favored 'General case' 0 C--O 1.244 0.795 0 C-N-CA 124.129 0.971 . . . . 63.34 109.966 -175.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.22 76.11 4.74 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 121.776 0.798 . . . . 52.13 110.892 -177.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -156.97 20.84 0.43 Allowed Glycine 0 CA--C 1.519 0.334 0 CA-C-N 114.23 -1.35 . . . . 75.04 110.338 174.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 73.6 mt -72.06 -46.36 57.25 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.58 1.152 . . . . 64.21 109.751 -177.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.509 HG21 HD12 ' A' ' 93' ' ' ILE . 52.6 t -136.64 84.93 26.02 Favored Pre-proline 0 CA--C 1.553 1.065 0 N-CA-C 108.257 -1.016 . . . . 64.13 108.257 173.077 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -77.99 -23.42 9.25 Favored 'Trans proline' 0 C--N 1.373 1.859 0 C-N-CA 122.276 1.984 . . . . 75.2 111.611 171.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -160.83 122.39 3.01 Favored 'General case' 0 C--O 1.243 0.763 0 C-N-CA 124.659 1.184 . . . . 75.22 109.349 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -126.08 -13.29 3.3 Favored Glycine 0 CA--C 1.526 0.73 0 CA-C-N 115.866 -0.606 . . . . 75.21 112.301 172.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 27.9 m 67.95 99.42 0.05 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.594 1.558 . . . . 72.03 111.064 -175.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.461 ' O ' ' HG2' ' A' ' 114' ' ' GLU . . . 160.29 -160.98 32.21 Favored Glycine 0 C--N 1.343 0.957 0 CA-C-N 116.139 -0.482 . . . . 72.22 112.142 177.536 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -77.43 -15.79 81.06 Favored Glycine 0 C--N 1.346 1.113 0 CA-C-N 116.769 0.284 . . . . 54.51 112.516 171.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 32.5 pt -64.47 -18.8 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 124.032 0.933 . . . . 74.03 112.437 177.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 111' ' ' GLY . 10.7 mm-40 -57.4 -52.68 64.39 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.341 0.656 . . . . 75.42 110.02 177.338 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -59.98 -46.64 93.79 Favored Glycine 0 C--N 1.351 1.373 0 CA-C-N 114.51 -1.223 . . . . 71.22 112.29 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 47.9 ttp -60.71 -50.75 72.21 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.106 0.563 . . . . 74.51 111.878 -177.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 41.3 p -66.26 -51.5 56.84 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 122.768 0.427 . . . . 75.52 110.855 -176.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 98.9 m -53.25 -51.05 63.47 Favored 'General case' 0 C--O 1.251 1.159 0 C-N-CA 123.597 0.759 . . . . 73.33 111.484 178.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 79.0 mtt-85 -58.73 -59.1 5.94 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.325 -0.852 . . . . 64.45 111.276 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1005 ' ' LEU . . . . . 0.563 ' O ' ' HG ' ' A' 1009 ' ' LEU . 56.2 mt -63.25 -33.39 75.4 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 112.529 0.566 . . . . 62.45 112.529 -174.387 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 38.4 p -68.49 -50.11 54.74 Favored 'General case' 0 N--CA 1.483 1.22 0 CA-C-N 118.35 0.523 . . . . 74.23 111.029 177.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -66.62 -25.59 66.67 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.034 0.445 . . . . 64.45 110.763 177.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1008 ' ' TRP . . . . . 0.555 ' HH2' HD13 ' A' ' 21' ' ' LEU . 1.3 t-105 -67.53 -46.58 72.37 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.928 1.291 . . . . 72.02 110.067 174.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1009 ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' 1005 ' ' LEU . 82.3 mt -67.79 -35.57 78.88 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.953 -0.758 . . . . 61.3 108.953 -177.23 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 93.3 m -59.28 -48.06 83.05 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 114.307 -1.315 . . . . 60.23 110.864 172.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -69.34 -28.31 66.12 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.513 0.725 . . . . 63.12 111.985 -179.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1012 ' ' LEU . . . . . 0.6 HD12 ' HB3' ' A' ' 79' ' ' LYS . 22.5 mt -73.96 -42.95 59.75 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.07 0.548 . . . . 55.25 110.118 178.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 33.2 t70 -67.32 -39.48 85.86 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 115.503 -0.771 . . . . 75.21 110.099 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 44.4 t30 -61.68 -50.09 73.88 Favored 'General case' 0 C--O 1.25 1.098 0 C-N-CA 123.967 0.907 . . . . 72.24 110.221 177.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1015 ' ' PHE . . . . . 0.491 ' CD2' HG23 ' A' ' 44' ' ' ILE . 25.7 t80 -54.52 -63.22 1.22 Allowed 'General case' 0 C--N 1.356 0.89 0 O-C-N 124.49 1.119 . . . . 74.1 110.017 176.65 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1016 ' ' GLU . . . . . 0.456 ' HG3' HD22 ' A' ' 72' ' ' LEU . 39.0 tt0 -49.76 -49.38 48.48 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 124.833 1.333 . . . . 73.14 112.248 -175.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -59.42 -60.58 3.62 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 124.061 0.851 . . . . 74.11 111.123 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -69.98 -29.7 66.86 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 112.134 0.42 . . . . 74.25 112.134 -172.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1019 ' ' MET . . . . . 0.561 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.2 OUTLIER -78.45 -28.17 46.57 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 110.168 -0.308 . . . . 63.42 110.168 -178.929 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -74.81 -27.29 60.24 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 110.03 -0.359 . . . . 55.23 110.03 169.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 96.8 mt -81.37 -13.55 58.2 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.493 0.717 . . . . 53.44 111.962 176.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1022 ' ' LEU . . . . . 0.561 ' HG ' ' HA ' ' A' 1019 ' ' MET . 74.9 mt -49.9 111.41 2.07 Favored Pre-proline 0 N--CA 1.495 1.823 0 C-N-CA 123.238 0.615 . . . . 75.35 110.229 167.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -84.26 -4.73 10.29 Favored 'Trans proline' 0 C--N 1.372 1.784 0 C-N-CA 122.337 2.024 . . . . 70.21 113.461 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -76.23 -62.73 1.51 Allowed 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.088 0.555 . . . . 73.31 110.804 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1025 ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.257 1.497 0 C-N-CA 124.097 0.959 . . . . 72.41 108.523 -178.378 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpp? . . . . . 0 N--CA 1.483 1.206 0 N-CA-C 109.1 -0.704 . . . . 44.13 109.1 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.6 m -55.06 -46.75 75.42 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.174 0.99 . . . . 73.43 112.8 -167.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.3 m -59.29 -46.4 88.67 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.779 0.432 . . . . 55.2 110.673 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 96.0 m -63.05 -52.35 63.17 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.391 1.076 . . . . 74.0 112.333 -178.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.1 t -64.4 -46.7 92.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 123.611 0.765 . . . . 62.24 110.088 -174.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -55.96 -56.0 26.01 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 123.435 0.459 . . . . 74.15 111.07 174.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.426 ' CZ ' HG22 ' A' 1025 ' ' VAL . 8.1 t80 -58.21 -58.84 6.69 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 123.889 0.876 . . . . 74.5 111.775 -172.261 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.552 HD11 HG12 ' A' ' 60' ' ' ILE . 69.3 mt -62.52 -52.79 55.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 123.91 0.884 . . . . 73.1 111.237 -177.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -68.43 -30.03 68.83 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 112.422 0.526 . . . . 63.24 112.422 -171.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.505 HH12 ' HB3' ' A' ' 50' ' ' LYS . 84.1 mtm180 -76.31 -47.04 25.0 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-O 119.053 -0.499 . . . . 65.55 110.387 176.598 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 51.4 m95 -60.67 -37.8 82.77 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-N 118.152 0.433 . . . . 75.45 111.336 176.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -62.21 -47.68 83.35 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.46 1.104 . . . . 64.25 109.834 174.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -60.01 -41.74 92.78 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 124.059 0.849 . . . . 75.11 111.118 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 10' ' ' ARG . 96.3 mt -67.79 -40.17 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.421 1.088 . . . . 71.45 110.35 -179.329 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.16 -47.0 81.59 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.193 0.597 . . . . 71.22 111.187 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.3 mt -69.05 -36.91 78.2 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 114.978 -1.01 . . . . 52.02 111.089 -178.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.9 mt -65.23 -58.42 6.01 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.343 0.657 . . . . 63.22 109.648 177.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.0 p -55.46 -37.82 68.26 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.423 0.689 . . . . 63.42 111.573 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -60.76 -54.43 45.3 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.821 0.849 . . . . 71.54 110.941 175.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.3 m -57.18 -54.84 42.26 Favored 'General case' 0 N--CA 1.481 1.122 0 O-C-N 123.701 0.626 . . . . 73.31 110.658 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.653 HD13 ' HH2' ' A' 1008 ' ' TRP . 35.9 mt -52.6 -37.46 58.18 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.813 1.645 . . . . 74.01 112.213 177.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.476 HD22 ' HA ' ' A' ' 74' ' ' ASN . 28.7 tp -65.72 -52.14 53.61 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.238 0.615 . . . . 73.55 110.979 177.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -59.85 -39.99 87.03 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 121.846 0.831 . . . . 71.1 110.592 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.53 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 95.5 mt -66.71 -41.14 88.44 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 114.116 -1.402 . . . . 74.42 110.871 177.383 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.492 ' HB2' HD21 ' A' ' 33' ' ' LEU . . . -64.85 -34.34 78.15 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.115 0.566 . . . . 53.42 111.143 178.33 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -66.76 -37.4 84.52 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.692 0.797 . . . . 62.43 110.744 174.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.1 mmp_? -79.25 -17.25 55.1 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 112.642 0.608 . . . . 75.24 112.642 174.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.0 17.06 61.93 Favored Glycine 0 C--N 1.343 0.951 0 O-C-N 123.313 0.383 . . . . 51.23 113.302 -177.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.53 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 28.2 mm-40 -72.6 70.62 0.93 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.686 0.794 . . . . 64.42 111.1 174.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.505 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 24.7 m95 -67.48 -37.26 82.63 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.745 -0.661 . . . . 74.52 111.205 -173.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -59.37 -39.44 83.3 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.515 0.726 . . . . 74.21 111.728 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.427 HD12 HD22 ' A' ' 24' ' ' LEU . 75.2 mt -69.52 -32.48 71.35 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.049 -0.523 . . . . 74.2 111.224 178.605 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.492 HD21 ' HB2' ' A' ' 25' ' ' ALA . 11.2 mp -65.37 -43.36 91.01 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 122.395 0.278 . . . . 70.44 110.624 171.359 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 30' ' ' TRP . 53.5 mt -74.34 -22.47 59.22 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.668 0.787 . . . . 74.35 111.433 -176.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -79.7 -57.17 3.8 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.658 0.783 . . . . 75.31 109.797 176.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.48 ' HB2' HD21 ' A' ' 21' ' ' LEU . 81.5 mt-30 -73.54 -8.82 57.48 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.94 1.296 . . . . 61.52 111.667 -179.431 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.427 ' HA ' ' CZ3' ' A' 1008 ' ' TRP . 46.2 tt0 -44.49 -56.49 4.26 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.672 1.189 . . . . 73.31 112.408 173.112 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.5 p -59.53 -43.09 90.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-N 115.35 -0.841 . . . . 64.32 110.772 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.3 m -61.66 -45.46 93.94 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.307 0.643 . . . . 43.4 111.75 -177.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -71.13 -49.92 39.01 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.089 -0.96 . . . . 73.24 110.85 -174.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.5 mt -69.2 -29.64 67.66 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 115.968 -0.56 . . . . 71.14 111.825 -177.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -73.58 -39.27 64.78 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.498 0.719 . . . . 61.54 110.179 176.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.1 m -64.86 -40.2 94.77 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 122.655 0.382 . . . . 71.41 110.956 175.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.7 mt -57.59 -50.27 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 124.658 1.183 . . . . 72.32 110.444 173.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -56.19 -56.38 21.68 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 114.72 -1.127 . . . . 72.14 110.844 -179.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.459 HG23 ' HD2' ' A' ' 10' ' ' ARG . 8.0 t -64.42 -38.55 91.41 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 115.932 -0.576 . . . . 55.3 112.067 -175.417 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.5 p -73.42 -36.45 48.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 CA-C-O 120.709 0.29 . . . . 65.23 111.229 -175.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 54.2 ttm -78.61 -25.73 45.22 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 116.295 -0.412 . . . . 71.04 110.376 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -75.99 -37.67 58.25 Favored 'General case' 0 CA--C 1.553 1.09 0 N-CA-C 109.432 -0.581 . . . . 71.42 109.432 177.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.505 ' HB3' HH12 ' A' ' 10' ' ' ARG . 3.3 tmtm? -111.04 88.98 2.92 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 108.597 -0.89 . . . . 73.24 108.597 -176.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -94.07 148.76 21.86 Favored 'General case' 0 C--O 1.246 0.893 0 CA-C-N 114.076 -1.42 . . . . 64.33 108.727 178.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 26.0 p -93.54 150.25 38.55 Favored Pre-proline 0 N--CA 1.477 0.922 0 CA-C-O 118.687 -0.673 . . . . 54.44 110.214 177.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -55.35 154.21 24.84 Favored 'Trans proline' 0 C--N 1.388 2.618 0 C-N-CA 123.055 2.503 . . . . 73.14 113.22 -175.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_exo -44.82 -45.66 13.47 Favored 'Trans proline' 0 C--N 1.39 2.744 0 C-N-CA 125.077 3.851 . . . . 71.3 114.647 -177.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -82.77 56.59 5.05 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-N 115.735 -0.666 . . . . 61.51 112.662 177.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.41 HD11 HG21 ' A' ' 60' ' ' ILE . 7.3 tp -73.98 139.23 19.67 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.04 0 N-CA-C 108.674 -0.861 . . . . 74.32 108.674 172.276 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.455 HG22 HD12 ' A' ' 60' ' ' ILE . 4.9 t -70.18 162.04 29.11 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 118.188 0.449 . . . . 62.4 111.303 -173.499 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -66.15 -45.28 81.54 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.349 1.06 . . . . 74.21 112.732 -164.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.6 m -61.19 -47.72 84.84 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-O 121.128 0.49 . . . . 72.23 111.326 -177.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.552 HG12 HD11 ' A' ' 8' ' ' ILE . 71.4 mt -61.82 -53.37 48.97 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 CA-C-N 114.961 -1.018 . . . . 64.55 109.871 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -59.56 -35.71 74.77 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 124.11 0.882 . . . . 74.33 111.628 -177.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -68.16 -55.54 11.99 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.465 0.706 . . . . 72.43 110.475 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 75.8 mtm -59.54 -44.95 93.07 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 123.708 0.63 . . . . 61.43 110.945 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.422 HG21 ' CD1' ' A' ' 7' ' ' PHE . 8.9 t -62.82 -44.76 99.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 124.141 0.977 . . . . 73.24 111.627 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.402 ' HA ' ' HB ' ' A' ' 68' ' ' ILE . . . -65.9 -29.17 69.55 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 120.791 0.329 . . . . 71.11 111.173 178.604 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.5 -45.34 93.41 Favored Glycine 0 C--N 1.351 1.383 0 CA-C-N 115.423 -0.808 . . . . 74.34 111.257 170.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -68.88 -27.73 66.06 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.771 0.828 . . . . 73.43 111.786 177.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.54 HG23 ' HE1' ' A' 1019 ' ' MET . 17.8 mt -67.2 -57.72 8.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 124.929 1.291 . . . . 70.43 109.853 178.405 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -67.08 -30.92 71.09 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-O 120.768 0.318 . . . . 61.34 110.588 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -60.06 -57.2 13.88 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-N 115.251 -0.886 . . . . 71.42 110.129 176.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.416 ' OG1' HG22 ' A' ' 14' ' ' ILE . 9.3 t -69.05 -35.74 76.9 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-N 115.407 -0.815 . . . . 63.44 111.525 -174.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.477 HD22 ' HG3' ' A' 1016 ' ' GLU . 65.3 mt -65.94 -38.54 88.89 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 123.601 0.563 . . . . 74.53 111.828 179.149 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -74.65 -42.46 58.48 Favored 'General case' 0 N--CA 1.485 1.325 0 O-C-N 123.122 0.264 . . . . 72.14 111.182 178.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.476 ' HA ' HD22 ' A' ' 22' ' ' LEU . 91.6 m-20 -60.22 -42.27 94.81 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.487 0.715 . . . . 72.32 110.576 175.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.565 ' HG2' ' HE2' ' A' ' 79' ' ' LYS . 35.4 tt0 -75.58 -30.57 59.67 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 114.839 -1.073 . . . . 72.43 110.554 -178.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -62.03 -47.2 85.8 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-O 121.521 0.677 . . . . 71.23 109.55 174.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 73.8 mt -67.66 -34.38 76.81 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 114.32 -1.309 . . . . 62.22 111.152 178.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.425 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 15.0 mt -60.62 -57.7 11.61 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.469 0.707 . . . . 72.12 110.309 171.602 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.565 ' HE2' ' HG2' ' A' ' 75' ' ' GLU . 47.3 mtmt -59.85 -38.64 82.68 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.98 0.912 . . . . 72.42 112.195 -176.68 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -69.47 -46.76 54.39 Favored Glycine 0 C--N 1.345 1.048 0 O-C-N 123.612 0.57 . . . . 70.3 112.77 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.403 ' O ' ' HD3' ' A' ' 85' ' ' ARG . 9.2 tt -59.42 -58.94 6.43 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.971 0.908 . . . . 74.11 109.36 178.417 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.421 ' HB2' HD21 ' A' 1009 ' ' LEU . 32.2 mt -62.99 -30.79 71.87 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.68 1.192 . . . . 72.44 112.001 -177.326 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -62.05 -51.33 68.39 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 109.604 -0.517 . . . . 73.11 109.604 173.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -64.25 -43.09 95.97 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 124.11 0.881 . . . . 72.23 111.175 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.403 ' HD3' ' O ' ' A' ' 81' ' ' LEU . 2.7 mpt_? -70.63 -43.9 68.3 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.134 0.574 . . . . 73.54 110.847 -173.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.527 HD11 ' HB3' ' A' 1005 ' ' LEU . 86.9 mt -67.23 -32.12 72.93 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 122.528 0.331 . . . . 72.34 110.839 175.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -59.92 -51.58 69.09 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.588 0.755 . . . . 72.33 110.13 174.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.555 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 45.3 mt-10 -61.91 -53.05 61.13 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.526 1.13 . . . . 73.34 110.352 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.674 HD13 ' SD ' ' A' 1001 ' ' MET . 95.3 mt -57.21 -42.97 82.33 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.644 1.177 . . . . 61.44 111.968 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.2 m -66.65 -34.79 78.66 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 122.371 0.268 . . . . 72.1 111.356 177.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.4 t -64.32 -36.2 83.35 Favored 'General case' 0 CA--C 1.556 1.176 0 O-C-N 123.395 0.434 . . . . 51.02 110.62 172.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 52.9 mt -72.25 -34.1 68.0 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.714 0.806 . . . . 75.21 111.036 178.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 97.9 mt -69.9 -45.68 76.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.454 1.102 . . . . 75.12 109.862 178.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -173.74 -64.61 0.05 OUTLIER Glycine 0 C--N 1.339 0.7 0 CA-C-N 115.785 -0.643 . . . . 64.12 112.088 178.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 28.5 pt20 -146.32 154.85 42.15 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 123.32 0.648 . . . . 74.25 110.215 -174.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.467 HG23 HD13 ' A' ' 105' ' ' LEU . 10.6 p -134.64 143.95 36.28 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 CA-C-N 115.178 -0.919 . . . . 61.52 108.748 170.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -98.42 151.37 20.64 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.337 0.655 . . . . 62.34 109.763 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -73.61 -30.83 63.22 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 114.908 -1.042 . . . . 71.13 110.879 -168.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.681 ' HG3' ' HB3' ' A' ' 102' ' ' SER . 19.7 pt20 -61.99 115.3 3.96 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 115.24 -0.891 . . . . 64.43 109.178 169.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -60.62 -59.96 9.34 Favored Glycine 0 CA--C 1.536 1.398 0 CA-C-N 115.588 -0.733 . . . . 64.54 114.568 -177.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -78.02 29.23 0.45 Allowed 'Trans proline' 0 C--N 1.375 1.946 0 C-N-CA 123.072 2.514 . . . . 62.05 114.097 -178.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.681 ' HB3' ' HG3' ' A' ' 99' ' ' GLN . 15.1 p -57.19 -47.24 81.75 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.146 0.978 . . . . 53.14 111.419 175.039 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 74.72 -63.56 0.42 Allowed 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.857 1.663 . . . . 73.34 112.115 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.05 63.26 3.57 Favored Glycine 0 C--N 1.344 1.023 0 N-CA-C 114.282 0.473 . . . . 61.13 114.282 -177.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.467 HD13 HG23 ' A' ' 96' ' ' VAL . 86.3 mt -81.65 -38.22 26.26 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.103 0.961 . . . . 54.32 109.987 177.355 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 59.1 t -116.55 113.01 40.77 Favored Pre-proline 0 CA--C 1.55 0.962 0 CA-C-N 115.048 -0.978 . . . . 74.33 108.652 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -75.36 -148.62 0.03 OUTLIER 'Trans proline' 0 C--N 1.375 1.946 0 C-N-CA 122.926 2.417 . . . . 72.42 111.476 173.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.515 ' HA ' ' HE ' ' A' ' 108' ' ' ARG . 1.0 OUTLIER -62.04 90.9 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 117.806 0.276 . . . . 53.5 110.945 173.884 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -72.61 -84.46 0.24 Allowed Glycine 0 C--N 1.347 1.147 0 N-CA-C 111.301 -0.72 . . . . 63.02 111.301 174.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 43.2 p -176.0 -68.59 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.252 1.021 . . . . 74.45 110.135 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -158.96 177.22 35.62 Favored Glycine 0 C--N 1.34 0.769 0 N-CA-C 111.059 -0.816 . . . . 54.14 111.059 -178.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 61.81 -85.81 0.04 OUTLIER Glycine 0 C--N 1.353 1.498 0 CA-C-N 117.111 0.455 . . . . 74.32 112.906 -177.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.5 pt -62.58 -26.4 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.364 1.065 . . . . 74.23 111.899 176.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.412 ' O ' HG22 ' A' 1003 ' ' THR . 7.3 tp10 -56.51 -60.88 2.9 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 123.855 0.722 . . . . 71.55 109.731 176.655 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -62.11 -42.98 99.74 Favored Glycine 0 C--N 1.363 2.07 0 CA-C-N 114.782 -1.099 . . . . 52.24 112.783 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1001 ' ' MET . . . . . 0.674 ' SD ' HD13 ' A' ' 89' ' ' LEU . 31.6 ttm -49.38 -59.4 3.75 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.355 1.062 . . . . 63.12 111.126 177.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 75.1 p -70.19 -54.18 13.94 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.284 -0.871 . . . . 71.21 111.137 -172.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1003 ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 114' ' ' GLU . 15.1 t -57.38 -46.13 83.73 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 118.021 0.373 . . . . 75.21 111.167 -174.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 81.5 mtt-85 -62.01 -57.79 10.32 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 116.182 -0.463 . . . . 74.54 110.501 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1005 ' ' LEU . . . . . 0.549 ' O ' ' HG ' ' A' 1009 ' ' LEU . 61.7 mt -65.67 -24.34 66.99 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 124.107 0.879 . . . . 75.41 112.941 -173.311 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 65.7 p -79.41 -44.21 21.87 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-N 118.856 0.753 . . . . 60.12 111.011 176.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 61.2 mtp85 -62.45 -34.32 76.57 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 121.728 0.775 . . . . 64.12 110.07 173.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1008 ' ' TRP . . . . . 0.653 ' HH2' HD13 ' A' ' 21' ' ' LEU . 17.4 t-105 -62.58 -55.27 28.73 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.821 1.649 . . . . 73.54 110.056 174.428 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1009 ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' 1005 ' ' LEU . 51.8 mt -60.69 -38.38 84.8 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.074 0.55 . . . . 75.2 112.008 -176.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 12.2 t -74.5 -32.32 62.49 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-O 119.397 -0.335 . . . . 64.13 110.859 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -70.49 -33.09 70.84 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.522 0.329 . . . . 74.32 111.324 175.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1012 ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' 1008 ' ' TRP . 20.9 mt -70.99 -47.33 59.45 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.811 0.844 . . . . 44.44 110.145 178.303 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 13.0 t70 -62.16 -41.55 98.41 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 114.953 -1.021 . . . . 74.12 109.757 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 8.7 t30 -62.83 -44.26 96.6 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.993 0.917 . . . . 73.0 111.085 176.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 27.9 t80 -57.76 -56.07 26.73 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 123.583 0.552 . . . . 72.42 109.999 176.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1016 ' ' GLU . . . . . 0.477 ' HG3' HD22 ' A' ' 72' ' ' LEU . 38.3 tt0 -51.71 -45.51 63.57 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 124.445 1.091 . . . . 74.52 111.757 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1017 ' ' ALA . . . . . 0.435 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -63.5 -60.06 3.84 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 123.884 0.74 . . . . 64.32 111.817 -178.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -61.39 -35.15 76.7 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.494 0.718 . . . . 73.32 111.762 -175.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1019 ' ' MET . . . . . 0.643 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.0 OUTLIER -81.3 -25.35 36.55 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.988 -0.551 . . . . 70.52 110.883 -176.183 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -75.77 -24.18 56.0 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.489 0.316 . . . . 64.43 110.616 167.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1021 ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' 1017 ' ' ALA . 77.4 mt -80.01 -20.93 44.26 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-O 118.432 -0.794 . . . . 74.11 111.782 176.306 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1022 ' ' LEU . . . . . 0.643 ' HG ' ' HA ' ' A' 1019 ' ' MET . 85.9 mt -47.58 107.82 0.79 Allowed Pre-proline 0 N--CA 1.501 2.077 0 C-N-CA 123.72 0.808 . . . . 61.41 111.847 173.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -81.75 -3.76 11.92 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.574 2.183 . . . . 62.41 111.821 174.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -168.94 99.79 0.38 Allowed 'General case' 0 C--N 1.348 0.531 0 C-N-CA 125.196 1.399 . . . . 75.33 107.735 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1025 ' ' VAL . . . . . 0.502 HG21 HD11 ' A' ' 68' ' ' ILE . 8.6 p . . . . . 0 CA--C 1.565 1.549 0 C-N-CA 123.304 0.641 . . . . 63.13 110.693 -179.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ppp? . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 120.939 0.4 . . . . 64.11 110.171 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.515 ' O ' ' HB2' ' A' ' 6' ' ' GLU . 13.1 t -60.41 -39.67 88.22 Favored 'General case' 0 C--N 1.36 1.051 0 CA-C-N 115.747 -0.661 . . . . 74.54 112.386 -173.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.5 m -76.06 -29.52 58.04 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 122.79 0.436 . . . . 54.24 111.485 -178.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 87.5 m -63.95 -58.6 6.24 Favored 'General case' 0 C--O 1.246 0.914 0 C-N-CA 123.49 0.716 . . . . 61.33 110.172 175.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.5 p -65.27 -30.73 51.16 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 CA-C-N 116.016 -0.538 . . . . 61.22 110.644 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.515 ' HB2' ' O ' ' A' ' 2' ' ' THR . 9.0 tp10 -59.43 -55.54 33.41 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.72 0.808 . . . . 74.34 110.432 175.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -60.63 -54.93 39.42 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 114.406 -1.27 . . . . 51.3 110.266 -175.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 64.0 mt -63.1 -43.34 98.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 115.524 -0.762 . . . . 72.5 111.558 -175.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.467 ' HB3' ' NH1' ' A' ' 13' ' ' ARG . 0.9 OUTLIER -71.59 -33.77 69.31 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 122.271 0.228 . . . . 64.14 111.55 -176.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.449 ' O ' HG13 ' A' ' 14' ' ' ILE . 99.2 mtt180 -63.51 -53.12 56.88 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 109.07 -0.715 . . . . 71.41 109.07 174.334 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -55.03 -35.69 64.72 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 123.697 0.623 . . . . 74.14 112.122 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -59.2 -55.73 31.25 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.669 0.788 . . . . 72.45 110.296 175.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.467 ' NH1' ' HB3' ' A' ' 9' ' ' ASN . 5.2 mpt_? -67.68 -28.44 67.69 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 116.034 -0.53 . . . . 75.53 111.817 -177.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 10' ' ' ARG . 92.0 mt -70.63 -39.11 75.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 123.049 0.54 . . . . 74.32 109.818 177.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.48 -43.13 86.24 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 115.701 -0.681 . . . . 65.03 110.668 176.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.13 -42.58 96.78 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 115.345 -0.843 . . . . 71.53 110.506 176.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 36.6 mt -64.27 -51.75 62.04 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.479 0.712 . . . . 71.12 110.094 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.0 p -59.66 -38.94 82.82 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.168 0.587 . . . . 72.13 111.131 -177.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -63.8 -48.66 75.99 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.737 0.815 . . . . 72.54 111.715 175.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.413 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 70.1 m -66.7 -43.48 84.23 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.155 0.582 . . . . 23.21 110.946 -177.344 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.563 HD23 HD12 ' A' ' 24' ' ' LEU . 96.2 mt -67.76 -31.41 71.29 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.835 1.254 . . . . 64.4 110.141 178.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.419 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 43.4 tp -61.99 -50.14 73.24 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-N 115.717 -0.674 . . . . 64.32 110.232 173.402 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -61.48 -36.94 81.86 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 123.8 0.688 . . . . 75.23 111.339 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.563 HD12 HD23 ' A' ' 21' ' ' LEU . 98.5 mt -61.41 -45.15 95.53 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.877 -0.416 . . . . 54.52 109.877 176.007 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.464 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -67.93 -32.1 72.32 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.027 0.531 . . . . 75.32 112.127 179.506 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 11.2 mm100 -67.22 -36.66 82.15 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.445 0.698 . . . . 54.02 111.056 176.614 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -85.43 -25.3 27.06 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 122.774 0.43 . . . . 74.24 111.419 177.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.63 15.75 42.12 Favored Glycine 0 C--N 1.343 0.925 0 CA-C-N 116.416 -0.357 . . . . 41.55 113.985 -175.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -73.59 78.74 1.48 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 123.72 0.808 . . . . 73.04 110.532 175.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.468 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 12.2 m95 -75.96 -30.03 58.48 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.351 0.66 . . . . 74.14 111.684 -176.284 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -64.63 -49.76 69.79 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.115 0.566 . . . . 74.35 111.496 -176.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 89.3 mt -67.44 -29.84 69.41 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 115.695 -0.684 . . . . 63.41 110.791 175.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.427 HD12 HD22 ' A' ' 21' ' ' LEU . 18.2 tp -64.83 -41.94 95.33 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.154 0.582 . . . . 52.04 110.13 176.445 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.553 HD21 ' HG ' ' A' 1005 ' ' LEU . 86.3 mt -72.02 -35.48 69.42 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.046 0.938 . . . . 70.23 111.208 179.464 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -65.19 -48.8 72.17 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 121.651 0.739 . . . . 73.11 110.749 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.445 ' HB2' HD21 ' A' ' 21' ' ' LEU . 77.0 mt-30 -89.76 -9.08 50.67 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.738 1.215 . . . . 65.41 112.333 -175.679 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -43.92 -58.75 2.6 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.256 1.023 . . . . 74.11 111.259 169.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.3 p -58.03 -36.31 56.03 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.904 0 CA-C-N 115.091 -0.959 . . . . 73.33 111.79 -178.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.7 m -68.14 -42.6 79.89 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.169 0.588 . . . . 43.34 111.339 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -68.09 -46.65 70.4 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.546 0.738 . . . . 63.33 111.099 -179.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.7 mt -69.18 -29.55 67.57 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 123.385 0.674 . . . . 70.23 110.814 -178.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -67.59 -45.98 73.95 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.664 0.785 . . . . 72.34 110.852 173.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.3 m -62.62 -41.9 99.27 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.495 0.718 . . . . 74.02 111.244 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 25.1 mt -57.29 -51.77 65.22 Favored 'Isoleucine or valine' 0 C--O 1.25 1.083 0 C-N-CA 124.934 1.294 . . . . 63.41 110.82 173.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -56.73 -54.67 43.55 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.956 -1.02 . . . . 72.41 111.043 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.7 t -67.28 -37.26 83.14 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 115.86 -0.609 . . . . 74.11 111.46 -173.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.7 p -69.61 -36.21 69.71 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 CA-C-N 118.292 0.496 . . . . 61.45 110.695 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 42.3 ttm -73.22 -31.02 63.9 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 116.371 -0.377 . . . . 73.44 110.519 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -67.95 -36.13 79.58 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.265 0.626 . . . . 71.11 110.514 173.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -96.07 68.72 2.73 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.989 0.916 . . . . 73.21 109.195 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -83.3 138.53 33.52 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 109.347 -0.612 . . . . 74.13 109.347 175.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.1 p -70.65 149.09 95.34 Favored Pre-proline 0 CA--C 1.552 1.035 0 C-N-CA 123.017 0.527 . . . . 73.55 111.073 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -62.39 166.58 12.85 Favored 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 123.467 2.778 . . . . 73.5 113.185 173.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -43.0 -44.23 9.4 Favored 'Trans proline' 0 C--N 1.387 2.584 0 C-N-CA 124.503 3.468 . . . . 71.44 113.874 174.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -72.9 67.79 1.35 Allowed Glycine 0 C--N 1.352 1.451 0 CA-C-N 116.167 -0.469 . . . . 74.44 113.139 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 5.4 tp -102.7 112.78 37.28 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.159 0 C-N-CA 124.929 1.292 . . . . 74.01 108.174 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.0 t -80.04 164.46 23.4 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.412 0.685 . . . . 52.41 111.571 -173.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -57.55 -42.75 83.6 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.696 1.198 . . . . 72.35 111.829 -176.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.5 m -55.27 -58.13 8.96 Favored 'General case' 0 C--O 1.25 1.09 0 O-C-N 123.571 0.544 . . . . 74.05 111.252 -178.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 53.8 mt -62.79 -50.13 80.93 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 CA-C-N 114.96 -1.018 . . . . 74.23 109.713 -177.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.9 tm0? -52.66 -47.71 66.94 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 124.329 1.018 . . . . 54.23 110.558 -177.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -69.06 -47.84 64.31 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.169 0.988 . . . . 64.12 111.736 -174.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 77.4 mtm -63.41 -49.16 74.85 Favored 'General case' 0 C--O 1.255 1.376 0 CA-C-O 121.402 0.62 . . . . 74.21 110.583 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.1 t -57.62 -41.56 79.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 CA-C-N 114.694 -1.139 . . . . 54.13 111.008 174.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.446 ' O ' ' HG2' ' A' ' 69' ' ' LYS . . . -64.22 -33.94 76.96 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 123.495 0.497 . . . . 51.13 111.076 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.96 -52.06 54.68 Favored Glycine 0 C--N 1.353 1.517 0 N-CA-C 110.777 -0.929 . . . . 72.23 110.777 173.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -63.26 -29.48 70.8 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 114.925 -0.637 . . . . 74.14 112.564 177.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.428 HG23 ' HE1' ' A' 1019 ' ' MET . 19.8 mt -67.45 -44.28 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 124.391 1.076 . . . . 64.25 110.279 177.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 32.3 mmmt -65.49 -40.85 93.56 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.313 -0.403 . . . . 75.45 110.037 177.456 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -60.08 -55.35 35.05 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.034 0.533 . . . . 73.14 110.673 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.4 t -65.21 -43.97 89.82 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-O 118.938 -0.553 . . . . 71.3 111.484 -174.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.0 mt -68.72 -30.33 68.95 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 117.991 0.359 . . . . 73.51 111.827 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -70.88 -50.96 29.42 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-O 121.408 0.623 . . . . 71.23 110.326 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -68.32 -34.07 75.45 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 114.635 -1.166 . . . . 74.33 110.532 -177.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.407 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 40.5 tt0 -75.09 -30.67 60.97 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 123.64 0.776 . . . . 74.34 110.92 176.559 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -65.93 -41.3 91.54 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 121.157 0.503 . . . . 74.52 109.887 174.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 63.3 mt -67.83 -40.25 83.77 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 115.228 -0.897 . . . . 74.31 110.485 175.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.407 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 40.4 mt -61.95 -39.62 92.73 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 123.431 0.692 . . . . 75.45 110.98 171.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -63.88 -52.55 59.46 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.434 1.094 . . . . 74.44 109.638 -175.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.46 -51.05 45.54 Favored Glycine 0 C--N 1.348 1.243 0 CA-C-N 114.99 -1.004 . . . . 70.44 113.051 -179.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.464 HD22 ' HB1' ' A' ' 25' ' ' ALA . 9.4 tt -58.06 -51.31 70.22 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.695 0.798 . . . . 74.3 110.332 -177.283 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.496 HD13 ' HE1' ' A' 1008 ' ' TRP . 27.4 mt -77.56 -23.83 49.97 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.418 0.687 . . . . 73.22 112.412 -173.67 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -65.76 -53.88 34.63 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 108.708 -0.849 . . . . 63.4 108.708 170.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -59.08 -38.65 79.98 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 114.921 -1.036 . . . . 73.04 111.113 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -73.9 -51.2 16.9 Favored 'General case' 0 C--O 1.213 -0.826 0 CA-C-N 115.411 -0.813 . . . . 72.32 110.317 -172.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.629 HD11 ' HB3' ' A' 1005 ' ' LEU . 71.1 mt -62.37 -41.26 98.49 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 122.67 0.388 . . . . 63.52 111.637 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -61.0 -50.12 74.66 Favored 'General case' 0 C--O 1.247 0.931 0 O-C-N 123.897 0.748 . . . . 75.13 110.52 178.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.528 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 39.5 tt0 -57.84 -56.85 16.67 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 115.136 -0.938 . . . . 73.23 110.741 176.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 86.2 mt -57.12 -40.91 78.03 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.434 1.094 . . . . 71.14 111.989 -177.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.425 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 32.8 t -65.34 -39.51 92.47 Favored 'General case' 0 C--O 1.244 0.809 0 C-N-CA 123.171 0.589 . . . . 72.2 110.414 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 39.6 t -62.24 -40.23 95.48 Favored 'General case' 0 CA--C 1.554 1.122 0 CA-C-N 115.252 -0.885 . . . . 75.11 111.517 172.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 53.0 mt -68.41 -38.12 80.95 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.494 0.718 . . . . 72.41 110.809 -179.338 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 94.6 mt -68.34 -39.36 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-N 115.039 -0.982 . . . . 62.13 110.456 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -175.47 -61.38 0.06 OUTLIER Glycine 0 C--N 1.344 1.02 0 O-C-N 123.311 0.382 . . . . 65.14 112.4 177.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -164.33 151.73 11.9 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.68 0.792 . . . . 72.15 109.006 -175.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.445 HG23 ' HB3' ' A' ' 105' ' ' LEU . 7.1 p -127.85 142.89 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.015 0.926 . . . . 64.45 108.607 173.025 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.406 ' HG ' ' H ' ' A' ' 99' ' ' GLN . 49.4 tp -139.79 150.83 45.21 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 109.063 -0.717 . . . . 74.1 109.063 177.291 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -64.67 -41.8 95.83 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.236 1.015 . . . . 55.25 109.947 178.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.406 ' H ' ' HG ' ' A' ' 97' ' ' LEU . 1.5 mp0 -78.57 81.36 4.9 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 107.984 -1.117 . . . . 54.32 107.984 170.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.434 ' HA3' HD23 ' A' ' 105' ' ' LEU . . . -86.26 110.08 3.45 Favored Glycine 0 C--N 1.343 0.95 0 CA-C-O 118.247 -1.307 . . . . 65.35 111.748 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.68 97.49 0.06 OUTLIER 'Trans proline' 0 C--N 1.378 2.106 0 C-N-CA 122.967 2.445 . . . . 35.33 113.271 -178.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.9 m 56.57 52.37 9.88 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 124.784 1.234 . . . . 64.45 111.908 174.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 80.73 -13.27 0.94 Allowed 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 125.51 1.524 . . . . 62.32 113.399 177.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -87.41 95.93 2.12 Favored Glycine 0 C--N 1.345 1.067 0 N-CA-C 111.987 -0.445 . . . . 53.15 111.987 177.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.445 ' HB3' HG23 ' A' ' 96' ' ' VAL . 88.1 mt -69.81 -35.55 74.91 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.284 0.634 . . . . 52.45 111.163 178.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 33.3 m -68.74 147.44 97.93 Favored Pre-proline 0 N--CA 1.481 1.089 0 C-N-CA 123.442 0.697 . . . . 63.3 110.931 175.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -58.47 110.01 0.59 Allowed 'Trans proline' 0 C--N 1.372 1.784 0 C-N-CA 122.383 2.055 . . . . 74.32 110.444 166.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -68.18 97.34 0.7 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.233 0.613 . . . . 71.24 109.632 -174.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -99.89 -77.73 1.32 Allowed Glycine 0 C--N 1.335 0.509 0 N-CA-C 110.245 -1.142 . . . . 52.44 110.245 167.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 71.8 m -158.41 175.79 13.25 Favored 'General case' 0 C--O 1.243 0.748 0 C-N-CA 124.592 1.157 . . . . 72.53 109.937 177.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 108.02 167.57 21.46 Favored Glycine 0 C--N 1.346 1.096 0 CA-C-N 115.803 -0.635 . . . . 73.23 114.215 169.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -74.73 -5.6 74.77 Favored Glycine 0 C--N 1.352 1.436 0 CA-C-O 120.04 -0.311 . . . . 64.32 113.398 178.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 39.2 pt -58.97 -31.63 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 123.493 0.717 . . . . 75.24 111.261 172.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -53.97 -45.51 71.39 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.25 1.02 . . . . 74.41 109.946 174.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -58.03 -60.16 9.47 Favored Glycine 0 C--N 1.352 1.45 0 CA-C-N 114.857 -1.065 . . . . 53.24 112.217 177.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 54.9 ttp -54.12 -48.79 70.38 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.522 0.729 . . . . 74.31 112.299 -177.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 49.3 p -66.37 -53.87 31.01 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 116.26 -0.427 . . . . 53.12 111.599 -175.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 69.5 m -60.2 -41.6 93.33 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.173 0.589 . . . . 45.42 111.291 -177.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.76 -55.35 27.38 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 115.469 -0.787 . . . . 72.13 111.29 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1005 ' ' LEU . . . . . 0.629 ' HB3' HD11 ' A' ' 86' ' ' LEU . 27.4 mt -72.33 -27.41 62.4 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 112.819 0.674 . . . . 74.53 112.819 -174.157 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 41.6 p -77.09 -39.13 50.74 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 118.658 0.663 . . . . 72.13 110.457 176.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -60.02 -41.06 91.38 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 121.221 0.534 . . . . 71.01 109.676 170.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1008 ' ' TRP . . . . . 0.496 ' HE1' HD13 ' A' ' 82' ' ' LEU . 0.4 OUTLIER -63.5 -45.76 89.21 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 114.486 -1.234 . . . . 75.41 110.315 177.769 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1009 ' ' LEU . . . . . 0.481 HD21 ' HB2' ' A' ' 82' ' ' LEU . 38.5 mt -68.09 -35.15 77.7 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 122.741 0.416 . . . . 74.22 112.075 -177.638 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 6.9 t -78.66 -23.12 45.9 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 109.984 -0.376 . . . . 75.11 109.984 176.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -77.59 -28.73 51.69 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.381 0.672 . . . . 71.25 111.029 172.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1012 ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' 1008 ' ' TRP . 22.5 mt -70.44 -49.46 48.57 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 108.279 -1.008 . . . . 54.43 108.279 173.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 19.4 t70 -61.18 -32.38 72.12 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 114.076 -1.42 . . . . 74.22 110.844 177.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -71.25 -46.52 60.81 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.062 0.545 . . . . 52.14 110.437 178.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 38.0 t80 -59.66 -57.85 11.14 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.418 0.687 . . . . 75.5 110.175 177.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -42.78 -50.69 5.59 Favored 'General case' 0 C--O 1.242 0.675 0 C-N-CA 125.845 1.658 . . . . 42.42 112.325 172.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1017 ' ' ALA . . . . . 0.426 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -61.24 -61.64 2.41 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 123.933 0.771 . . . . 53.42 111.382 179.644 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -60.47 -33.99 73.38 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.067 0.947 . . . . 71.31 112.1 -173.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1019 ' ' MET . . . . . 0.741 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 1.9 ptm -87.26 -21.73 25.62 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 116.224 -0.443 . . . . 73.04 111.037 -174.095 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -78.59 -18.99 53.75 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 110.267 -0.272 . . . . 73.02 110.267 163.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1021 ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' 1017 ' ' ALA . 97.4 mt -87.74 -11.68 47.43 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.814 0.846 . . . . 75.31 111.38 174.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1022 ' ' LEU . . . . . 0.741 ' HG ' ' HA ' ' A' 1019 ' ' MET . 34.8 mt -43.51 110.53 0.95 Allowed Pre-proline 0 N--CA 1.498 1.954 0 C-N-CA 123.178 0.591 . . . . 51.32 111.337 172.373 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1023 ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' 1022 ' ' LEU . 51.5 Cg_exo -56.16 -45.88 34.85 Favored 'Trans proline' 0 C--N 1.379 2.181 0 C-N-CA 123.58 2.853 . . . . 62.41 113.557 -169.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -169.03 94.54 0.32 Allowed 'General case' 0 CA--C 1.542 0.661 0 O-C-N 123.696 0.623 . . . . 71.24 110.872 -177.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1025 ' ' VAL . . . . . 0.455 HG11 HD13 ' A' 1022 ' ' LEU . 3.5 p . . . . . 0 CA--C 1.559 1.309 0 CA-C-O 117.968 -1.015 . . . . 72.52 109.556 168.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ttt . . . . . 0 N--CA 1.484 1.244 0 CA-C-O 119.834 -0.127 . . . . 72.02 111.09 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.2 t -59.75 -37.19 78.3 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 111.905 0.335 . . . . 54.31 111.905 -174.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 p -62.9 -45.71 91.25 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 122.984 0.514 . . . . 45.13 110.519 177.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 33.7 m -55.39 -54.37 44.55 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 124.583 1.177 . . . . 45.13 111.524 176.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.14 -54.81 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-N 115.339 -0.846 . . . . 72.13 110.862 -174.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -56.15 -53.25 59.32 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 123.725 0.64 . . . . 72.3 110.791 -178.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -60.39 -54.4 46.13 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.594 0.758 . . . . 73.2 111.192 -172.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.535 HD11 HG12 ' A' ' 60' ' ' ILE . 90.1 mt -62.89 -46.38 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 123.388 0.675 . . . . 53.25 111.235 -178.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -64.77 -36.62 84.91 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 122.871 0.468 . . . . 72.44 111.681 -175.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.472 ' O ' HG13 ' A' ' 14' ' ' ILE . 57.4 mtt180 -73.16 -48.86 31.79 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 123.444 0.465 . . . . 75.2 109.821 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 62.2 m95 -59.65 -40.7 88.58 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 111.955 0.354 . . . . 61.53 111.955 176.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.477 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 51.6 tt0 -59.65 -48.17 82.72 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.379 1.071 . . . . 72.43 109.841 176.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -58.35 -45.59 87.89 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 124.361 1.038 . . . . 63.12 110.856 -179.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.526 HG22 ' OG1' ' A' ' 71' ' ' THR . 75.6 mt -65.92 -38.93 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 123.923 0.889 . . . . 74.22 110.487 -178.558 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.73 -44.24 86.57 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.165 0.586 . . . . 71.33 111.586 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 85.1 mt -69.75 -43.53 72.07 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 115.58 -0.736 . . . . 74.24 110.467 -178.442 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 69.1 mt -61.31 -51.88 67.01 Favored 'General case' 0 C--O 1.214 -0.811 0 O-C-N 123.944 0.778 . . . . 75.34 110.197 177.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.434 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . 77.6 p -63.38 -35.75 81.43 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.24 0.616 . . . . 64.44 111.806 -177.48 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -62.78 -52.04 64.73 Favored 'General case' 0 C--O 1.251 1.132 0 C-N-CA 123.216 0.606 . . . . 74.34 110.269 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.539 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 50.4 m -55.31 -55.14 34.91 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 124.461 1.101 . . . . 75.44 110.1 176.224 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.58 HD21 ' HB2' ' A' ' 36' ' ' GLN . 85.7 mt -60.74 -32.65 71.92 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.365 1.466 . . . . 54.43 111.619 -176.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.717 HD22 ' HA ' ' A' ' 74' ' ' ASN . 37.4 tp -64.75 -54.04 37.72 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 109.335 -0.616 . . . . 73.44 109.335 176.601 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -57.32 -36.82 71.58 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 124.276 0.985 . . . . 53.25 111.028 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 20' ' ' SER . 95.7 mt -64.97 -45.22 86.59 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.421 0.688 . . . . 74.04 110.747 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.488 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -67.78 -34.7 77.3 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 122.813 0.445 . . . . 74.11 111.2 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -70.14 -28.15 65.13 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 124.007 0.923 . . . . 72.05 111.072 174.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.6 mtp180 -104.14 8.66 36.39 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 124.004 0.921 . . . . 75.44 112.254 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.7 20.26 77.23 Favored Glycine 0 C--N 1.351 1.408 0 N-CA-C 115.258 0.863 . . . . 62.24 115.258 173.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.515 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 41.9 mm-40 -81.53 68.27 7.81 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.939 0.895 . . . . 74.5 109.965 174.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -68.31 -30.31 69.27 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.307 0.643 . . . . 74.14 110.658 -176.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -62.84 -47.85 81.63 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.073 0.949 . . . . 74.32 110.576 176.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.2 mt -70.85 -24.46 62.53 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 115.583 -0.735 . . . . 71.13 111.53 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 78.4 mt -63.4 -54.87 29.89 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 109.096 -0.705 . . . . 72.14 109.096 169.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.445 ' HB3' HH11 ' A' 1004 ' ' ARG . 89.8 mt -66.92 -21.52 65.99 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.749 0.82 . . . . 50.15 112.272 -177.146 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -71.93 -58.0 3.82 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.535 0.734 . . . . 65.25 110.239 175.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.58 ' HB2' HD21 ' A' ' 21' ' ' LEU . 74.7 mt-30 -87.19 -9.04 56.2 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.602 1.161 . . . . 63.21 112.132 -173.073 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.402 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 1.3 tm-20 -47.03 -54.86 9.31 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 125.292 1.437 . . . . 72.41 112.088 176.185 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.4 p -56.15 -43.07 75.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 O-C-N 123.841 0.713 . . . . 62.2 111.57 178.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.5 m -63.77 -40.94 97.92 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.707 0.803 . . . . 63.32 111.168 -178.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.434 ' CE2' ' HB3' ' A' ' 18' ' ' SER . 48.1 t80 -69.46 -47.35 64.26 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.11 -0.95 . . . . 72.23 111.57 -177.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.425 HD11 ' HA ' ' A' 1008 ' ' TRP . 46.0 mt -70.72 -28.75 64.96 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 116.179 -0.464 . . . . 33.4 110.647 -178.191 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -71.13 -43.98 66.5 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.745 0.818 . . . . 75.53 110.677 176.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.45 ' HA ' HG22 ' A' ' 46' ' ' THR . 46.7 p -67.01 -37.45 84.2 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.677 0.391 . . . . 73.43 110.895 178.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 26.5 mt -57.1 -51.7 65.66 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 124.35 1.06 . . . . 71.31 110.575 171.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -57.28 -46.46 83.1 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 114.745 -1.116 . . . . 62.14 111.038 -177.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.45 HG22 ' HA ' ' A' ' 43' ' ' SER . 7.5 t -78.88 -25.85 43.92 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 115.575 -0.739 . . . . 74.45 112.086 -173.441 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.1 p -76.51 -35.51 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 CA-C-N 118.649 0.659 . . . . 74.42 110.149 176.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 33.7 ttm -75.73 -27.82 58.29 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.635 -0.712 . . . . 60.15 109.463 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -65.41 -36.51 84.15 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.291 1.036 . . . . 73.23 111.094 169.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -113.83 72.07 0.77 Allowed 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 107.989 -1.115 . . . . 54.51 107.989 -177.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.2 pm0 -91.3 130.02 37.22 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 115.276 -0.874 . . . . 75.25 108.748 177.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 65.4 p -90.12 142.3 28.54 Favored Pre-proline 0 CA--C 1.549 0.907 0 N-CA-C 109.511 -0.551 . . . . 64.32 109.511 173.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -57.45 165.55 5.73 Favored 'Trans proline' 0 CA--C 1.567 2.138 0 C-N-CA 123.234 2.623 . . . . 43.33 113.868 172.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_exo -47.08 -45.9 20.33 Favored 'Trans proline' 0 C--N 1.385 2.479 0 C-N-CA 124.297 3.331 . . . . 75.4 114.673 176.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.93 81.44 0.03 OUTLIER Glycine 0 C--N 1.355 1.608 0 O-C-N 123.446 0.466 . . . . 63.34 113.038 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.4 tp -128.42 150.22 33.94 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 C-N-CA 124.515 1.126 . . . . 73.12 108.826 -174.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.8 p -74.51 159.29 32.42 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.078 0.951 . . . . 62.33 111.931 -176.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -56.07 -52.31 64.71 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.712 1.205 . . . . 71.42 113.019 -175.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.4 m -63.74 -47.26 81.76 Favored 'General case' 0 C--O 1.246 0.885 0 O-C-N 123.864 0.728 . . . . 75.21 111.404 -173.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.535 HG12 HD11 ' A' ' 8' ' ' ILE . 64.2 mt -60.2 -56.01 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 O-C-N 123.809 0.693 . . . . 73.22 109.694 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.6 -41.16 80.66 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 124.062 0.852 . . . . 72.34 110.768 -176.072 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -66.88 -53.99 26.73 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.606 0.762 . . . . 70.51 110.817 -176.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 71.9 mtm -63.14 -44.43 95.58 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 123.842 0.713 . . . . 74.32 110.728 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.0 t -61.93 -39.6 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 123.817 0.847 . . . . 73.3 110.862 177.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.98 -33.99 77.37 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 123.36 0.413 . . . . 41.51 110.558 176.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.23 -47.19 90.19 Favored Glycine 0 C--N 1.353 1.485 0 O-C-N 123.948 0.78 . . . . 25.23 111.486 172.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -63.65 -33.56 75.91 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.564 0.746 . . . . 60.22 111.228 178.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 24.6 mt -68.77 -46.83 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 124.922 1.289 . . . . 75.23 110.39 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -61.13 -46.35 90.92 Favored 'General case' 0 C--O 1.252 1.196 0 C-N-CA 122.984 0.514 . . . . 73.31 110.398 177.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -56.57 -60.05 4.1 Favored 'General case' 0 C--N 1.356 0.862 0 O-C-N 124.447 1.092 . . . . 54.21 110.233 178.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.526 ' OG1' HG22 ' A' ' 14' ' ' ILE . 11.1 t -68.75 -38.13 79.9 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 123.495 0.497 . . . . 74.23 112.305 -169.47 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.409 HD21 ' SD ' ' A' 1019 ' ' MET . 39.9 mt -67.16 -41.12 86.56 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 123.349 0.405 . . . . 62.11 111.601 178.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -73.38 -39.92 64.75 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 120.638 0.256 . . . . 74.43 111.333 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.717 ' HA ' HD22 ' A' ' 22' ' ' LEU . 94.3 m-20 -59.43 -48.21 82.5 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.944 0.898 . . . . 63.22 110.337 174.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -68.95 -32.43 72.03 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.824 1.25 . . . . 75.21 111.077 -179.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -63.36 -48.3 78.49 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.467 0.707 . . . . 75.43 109.887 177.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 96.5 mt -67.13 -38.84 86.27 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 115.193 -0.912 . . . . 75.12 110.791 177.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 25.5 mt -57.7 -44.21 85.73 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.972 0.909 . . . . 65.54 111.083 172.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -65.7 -52.75 48.91 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.142 0.977 . . . . 75.2 108.741 -173.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.54 -44.49 95.06 Favored Glycine 0 C--N 1.354 1.552 0 O-C-N 124.204 0.94 . . . . 64.43 113.471 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.488 HD22 ' HB1' ' A' ' 25' ' ' ALA . 10.4 tt -61.95 -56.44 19.15 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.789 0.835 . . . . 71.42 109.994 -178.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 23.9 mt -67.79 -25.09 65.42 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.978 0.911 . . . . 54.13 111.933 -177.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -67.85 -54.34 19.7 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 123.13 0.269 . . . . 60.31 110.37 174.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.458 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 25.4 mt-30 -63.78 -26.44 68.64 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 123.83 0.707 . . . . 61.45 111.492 176.592 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -74.95 -50.2 17.5 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 109.054 -0.721 . . . . 73.34 109.054 -177.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.531 HD23 HD12 ' A' ' 89' ' ' LEU . 97.6 mt -66.32 -27.72 68.12 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.329 0.652 . . . . 74.41 111.068 176.102 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -61.37 -55.25 33.69 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.093 0.957 . . . . 72.34 109.931 174.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.538 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 50.9 mt-10 -54.81 -47.77 73.61 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 115.11 -0.95 . . . . 74.04 110.594 177.452 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.531 HD12 HD23 ' A' ' 86' ' ' LEU . 96.3 mt -56.79 -43.42 80.89 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 124.174 0.921 . . . . 75.43 111.568 178.119 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.5 m -61.62 -37.96 85.89 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.872 0.469 . . . . 74.4 111.22 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.544 ' HA ' ' HB3' ' A' ' 95' ' ' GLN . 32.7 t -65.44 -37.78 87.91 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 115.702 -0.681 . . . . 63.1 111.327 175.299 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 48.0 mt -71.08 -50.67 31.28 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.322 0.649 . . . . 73.33 110.863 -178.433 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 76.2 mt -63.58 -46.93 93.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 124.777 1.231 . . . . 72.51 110.587 -176.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 159.5 99.33 0.15 Allowed Glycine 0 C--N 1.338 0.65 0 N-CA-C 110.642 -0.983 . . . . 40.52 110.642 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.544 ' HB3' ' HA ' ' A' ' 91' ' ' SER . 10.2 pt20 -77.76 76.4 4.29 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-O 121.702 0.763 . . . . 71.13 111.334 -178.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.9 p -67.47 -38.61 80.98 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 N-CA-C 107.866 -1.161 . . . . 73.53 107.866 163.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 97.3 mt -129.08 118.08 21.91 Favored 'General case' 0 C--O 1.242 0.678 0 N-CA-C 106.856 -1.535 . . . . 74.12 106.856 165.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -52.26 -38.87 59.41 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.586 1.154 . . . . 73.43 110.886 173.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -160.18 144.96 14.72 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-N 114.922 -1.036 . . . . 73.45 108.554 175.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 177.14 157.85 19.06 Favored Glycine 0 CA--C 1.532 1.095 0 CA-C-O 119.037 -0.868 . . . . 65.4 111.607 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -70.08 89.48 0.56 Allowed 'Trans proline' 0 C--N 1.374 1.895 0 C-N-CA 122.974 2.45 . . . . 71.42 111.487 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 44.7 t -133.05 144.47 50.05 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.902 0.881 . . . . 74.34 110.225 -175.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -72.49 -18.27 61.68 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.337 1.055 . . . . 70.14 111.723 175.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.38 120.24 0.97 Allowed Glycine 0 C--N 1.345 1.065 0 N-CA-C 110.162 -1.175 . . . . 71.41 110.162 -178.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.1 -32.12 73.42 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.295 0.638 . . . . 72.13 110.913 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.499 HG21 ' HA ' ' A' ' 114' ' ' GLU . 34.9 m -57.5 147.14 61.21 Favored Pre-proline 0 CA--C 1.559 1.311 0 C-N-CA 124.774 1.23 . . . . 73.23 112.838 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.11 127.22 14.78 Favored 'Trans proline' 0 C--N 1.377 2.075 0 C-N-CA 122.45 2.1 . . . . 60.12 110.789 170.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 22.1 mtm-85 -103.37 127.66 50.66 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.867 0.867 . . . . 74.21 109.263 -179.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 164.96 23.01 0.02 OUTLIER Glycine 0 C--N 1.342 0.869 0 O-C-N 123.325 0.39 . . . . 61.23 112.947 175.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.9 m -138.65 -72.09 0.41 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.676 0.791 . . . . 63.21 109.729 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 129.74 43.71 0.2 Allowed Glycine 0 C--N 1.353 1.516 0 C-N-CA 123.124 0.393 . . . . 51.25 112.649 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -107.35 -114.79 3.89 Favored Glycine 0 C--N 1.349 1.276 0 CA-C-O 119.87 -0.406 . . . . 64.42 112.588 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 17.7 tt -69.92 -27.06 31.52 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 C-N-CA 123.969 0.908 . . . . 72.2 110.285 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.499 ' HA ' HG21 ' A' ' 106' ' ' VAL . 11.7 pt-20 -54.75 -34.87 63.1 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 114.433 -1.258 . . . . 75.44 110.955 168.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -59.38 -53.45 46.12 Favored Glycine 0 C--N 1.353 1.487 0 O-C-N 123.957 0.786 . . . . 74.01 111.83 177.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 44.3 ttp -58.59 -47.52 84.01 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.437 0.695 . . . . 74.01 111.219 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 32.6 p -65.51 -44.32 87.37 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 112.126 0.417 . . . . 44.24 112.126 -175.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 42.8 p -69.84 -42.27 73.81 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.358 0.263 . . . . 75.02 110.893 -177.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1004 ' ' ARG . . . . . 0.445 HH11 ' HB3' ' A' ' 34' ' ' LEU . 95.4 mtt180 -60.22 -48.59 81.09 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 123.751 0.657 . . . . 74.52 110.68 177.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1005 ' ' LEU . . . . . 0.536 ' HA ' ' HB3' ' A' 1008 ' ' TRP . 54.0 mt -73.94 -29.42 62.01 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 123.801 0.688 . . . . 70.52 112.502 -175.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 32.2 p -74.38 -39.59 62.62 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 118.593 0.633 . . . . 51.11 110.522 176.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 40.3 mmm-85 -64.08 -37.6 88.04 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-O 121.157 0.503 . . . . 62.5 110.187 171.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1008 ' ' TRP . . . . . 0.536 ' HB3' ' HA ' ' A' 1005 ' ' LEU . 1.6 t-105 -61.88 -49.33 76.66 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 114.72 -1.127 . . . . 70.51 110.258 177.172 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1009 ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' 1005 ' ' LEU . 80.2 mt -70.75 -35.24 72.57 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 109.175 -0.676 . . . . 75.34 109.175 -175.234 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 21.6 m -57.65 -47.09 83.23 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.366 1.067 . . . . 72.14 110.436 173.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -73.1 -28.4 62.25 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.283 0.633 . . . . 74.51 111.499 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1012 ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' 1008 ' ' TRP . 15.9 mt -66.36 -52.69 44.37 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 121.338 0.59 . . . . 54.22 109.686 175.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 23.8 t70 -64.35 -38.61 91.64 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 114.463 -1.244 . . . . 75.45 110.553 -176.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 55.1 t30 -67.21 -44.07 80.46 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 115.655 -0.702 . . . . 70.52 110.745 178.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 45.1 t80 -61.3 -60.52 3.61 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 123.715 0.634 . . . . 73.11 109.846 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -46.53 -50.72 16.76 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.872 1.269 . . . . 40.31 112.22 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -60.22 -59.92 4.65 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 124.09 0.869 . . . . 52.13 111.711 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -63.36 -37.19 86.29 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.987 0.915 . . . . 73.43 111.789 -174.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1019 ' ' MET . . . . . 0.499 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.3 OUTLIER -81.26 -22.25 38.83 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.816 -0.629 . . . . 62.21 110.813 -175.569 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -70.22 -36.66 74.7 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 109.546 -0.539 . . . . 42.12 109.546 166.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.55 -25.88 66.03 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.553 0.741 . . . . 71.31 111.787 176.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1022 ' ' LEU . . . . . 0.499 ' HG ' ' HA ' ' A' 1019 ' ' MET . 85.6 mt -50.73 116.61 7.24 Favored Pre-proline 0 N--CA 1.495 1.787 0 C-N-CA 123.109 0.563 . . . . 73.55 111.358 170.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -98.8 28.3 0.15 Allowed 'Trans proline' 0 C--N 1.376 2.008 0 C-N-CA 123.719 2.946 . . . . 72.05 111.801 170.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -91.7 -64.78 1.07 Allowed 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.571 0.748 . . . . 60.53 111.269 -172.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1025 ' ' VAL . . . . . . . . . . . . . 42.8 t . . . . . 0 C--O 1.252 1.233 0 C-N-CA 123.902 0.881 . . . . 72.24 109.515 -176.965 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 119.732 -0.175 . . . . 70.22 110.908 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.4 p -61.84 -50.62 71.55 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 112.83 0.678 . . . . 41.41 112.83 -172.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 m -63.49 -37.04 85.77 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.188 0.595 . . . . 63.13 111.58 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.6 m -63.76 -55.6 21.9 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.137 0.975 . . . . 70.43 111.15 178.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 75.5 t -57.57 -49.01 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 O-C-N 123.647 0.592 . . . . 41.53 110.084 178.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.419 ' HG3' ' CZ ' ' A' ' 10' ' ' ARG . 8.6 tp10 -53.73 -50.53 65.76 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.25 1.02 . . . . 53.14 111.645 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -68.37 -55.2 12.8 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.776 0.83 . . . . 61.32 111.007 -174.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.635 HD11 HG12 ' A' ' 60' ' ' ILE . 84.6 mt -61.1 -42.31 92.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 123.959 0.904 . . . . 54.13 111.278 -178.425 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -74.36 -34.43 63.38 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.8 0.44 . . . . 73.11 111.232 -174.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.84 HH12 ' HB2' ' A' ' 50' ' ' LYS . 82.5 mtm180 -66.65 -46.28 76.23 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 119.274 -0.393 . . . . 74.55 110.108 173.185 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 57.9 m95 -64.16 -33.25 75.35 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 123.134 0.271 . . . . 75.02 111.684 177.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -67.12 -40.41 86.83 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.591 0.756 . . . . 71.0 109.206 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -66.21 -42.61 88.52 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.346 -0.843 . . . . 73.54 110.369 178.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 10' ' ' ARG . 84.3 mt -68.96 -33.93 61.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.79 0.836 . . . . 74.03 110.111 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.83 -52.03 58.91 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.326 0.65 . . . . 53.2 110.328 176.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.6 mt -61.02 -44.39 97.48 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 124.285 0.991 . . . . 64.11 110.749 178.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 66.6 mt -61.56 -50.66 71.74 Favored 'General case' 0 C--O 1.211 -0.946 0 C-N-CA 123.218 0.607 . . . . 55.24 110.157 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 85.7 p -63.34 -43.79 96.71 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.162 0.585 . . . . 73.4 112.222 -175.026 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -71.0 -38.59 72.67 Favored 'General case' 0 C--O 1.247 0.964 0 O-C-N 123.417 0.448 . . . . 64.51 111.197 -178.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.527 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 70.4 m -64.8 -40.9 95.98 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 122.822 0.449 . . . . 64.43 110.069 174.634 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.595 HD13 ' HH2' ' A' 1008 ' ' TRP . 41.0 mt -65.23 -34.85 79.33 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.892 0.877 . . . . 73.4 110.492 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.2 tp -67.17 -39.62 86.5 Favored 'General case' 0 C--N 1.349 0.571 0 N-CA-C 109.77 -0.456 . . . . 73.22 109.77 176.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -58.85 -45.49 89.99 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 123.655 0.597 . . . . 63.33 110.337 173.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 20' ' ' SER . 75.9 mt -63.63 -41.1 98.29 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.095 0.958 . . . . 42.42 111.359 -178.238 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.516 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -70.75 -46.66 62.57 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.08 0.552 . . . . 72.24 111.314 -177.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -66.38 -32.79 74.4 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 123.941 0.776 . . . . 73.44 111.429 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -88.85 -22.8 23.01 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.344 0.658 . . . . 74.24 110.181 -177.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.97 16.99 24.23 Favored Glycine 0 C--N 1.354 1.545 0 N-CA-C 115.774 1.07 . . . . 73.03 115.774 173.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -77.78 83.59 4.13 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-N 118.793 1.297 . . . . 54.1 110.009 170.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 39.1 m95 -72.62 -31.06 64.86 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.507 0.723 . . . . 74.11 110.256 178.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -64.17 -43.56 94.78 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.69 0.796 . . . . 73.14 111.203 177.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 76.8 mt -76.69 -21.87 54.74 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 115.967 -0.56 . . . . 75.41 111.244 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.438 HD13 HD21 ' A' ' 82' ' ' LEU . 74.7 mt -63.93 -47.43 80.54 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 109.365 -0.605 . . . . 75.41 109.365 167.502 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.0 mt -68.7 -29.43 67.87 Favored 'General case' 0 N--CA 1.484 1.256 0 O-C-N 123.777 0.673 . . . . 73.42 112.19 177.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -69.47 -52.64 24.73 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.96 0.504 . . . . 62.43 110.067 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.449 ' HB2' HD21 ' A' ' 21' ' ' LEU . 8.9 mp0 -80.3 -12.67 59.58 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-O 118.668 -0.682 . . . . 71.22 111.34 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.68 -56.58 6.97 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 124.439 1.096 . . . . 70.43 111.894 176.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.7 m -61.58 -37.21 77.36 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 CA-C-N 115.361 -0.836 . . . . 75.03 112.001 -178.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.9 m -71.96 -38.97 69.66 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.611 0.765 . . . . 64.04 111.408 -178.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -73.57 -46.15 49.12 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.059 0.944 . . . . 75.42 110.222 -175.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.596 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 78.9 mt -67.07 -39.6 86.89 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.73 -0.668 . . . . 72.12 110.014 178.527 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -60.43 -46.5 89.83 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 122.903 0.481 . . . . 70.02 111.397 176.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.2 p -63.53 -37.77 88.6 Favored 'General case' 0 C--O 1.25 1.109 0 C-N-CA 123.001 0.52 . . . . 72.31 110.819 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.8 mt -57.99 -47.52 86.43 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 C-N-CA 124.2 1.0 . . . . 72.32 111.026 171.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.596 ' HG2' ' O ' ' A' ' 41' ' ' LEU . 6.3 mm-40 -63.94 -48.93 74.57 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 122.701 0.401 . . . . 72.52 111.015 -176.443 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.41 HG23 ' HD2' ' A' ' 10' ' ' ARG . 4.8 t -65.5 -39.8 92.31 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 112.059 0.392 . . . . 74.31 112.059 -177.511 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 p -74.35 -32.52 31.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 CA-C-N 118.125 0.42 . . . . 73.32 111.368 -177.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 49.1 ttm -80.1 -21.13 43.61 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.213 0.605 . . . . 64.23 110.534 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -79.73 -37.97 34.36 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 122.955 0.502 . . . . 73.14 110.283 172.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.84 ' HB2' HH12 ' A' ' 10' ' ' ARG . 14.5 mmmm -123.26 83.88 2.19 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.504 0.668 . . . . 73.04 109.461 -176.315 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.14 159.36 15.17 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 114.885 -1.052 . . . . 75.01 109.034 178.12 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 40.7 p -82.62 153.31 67.81 Favored Pre-proline 0 CA--C 1.55 0.943 0 N-CA-C 108.855 -0.795 . . . . 74.22 108.855 169.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -63.58 160.13 37.5 Favored 'Trans proline' 0 CA--C 1.557 1.628 0 C-N-CA 122.69 2.26 . . . . 62.23 112.948 173.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_exo -43.56 -45.64 10.48 Favored 'Trans proline' 0 C--N 1.384 2.413 0 C-N-CA 124.089 3.192 . . . . 65.45 113.802 171.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -67.82 77.0 0.21 Allowed Glycine 0 CA--C 1.532 1.116 0 O-C-N 123.655 0.597 . . . . 73.21 112.497 173.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.4 tp -124.16 141.63 43.69 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.864 0 C-N-CA 125.138 1.375 . . . . 75.41 107.909 -177.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.9 t -66.79 152.05 46.29 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.875 0.47 . . . . 72.25 111.624 -177.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.9 mtp-105 -64.15 -23.68 67.41 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 123.582 0.551 . . . . 74.03 112.073 -175.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.3 m -64.93 -59.66 3.93 Favored 'General case' 0 C--O 1.245 0.834 0 C-N-CA 122.566 0.347 . . . . 73.13 110.241 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.635 HG12 HD11 ' A' ' 8' ' ' ILE . 77.8 mt -61.5 -48.81 87.09 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 C-N-CA 123.486 0.714 . . . . 74.33 109.511 179.27 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -55.27 -44.01 75.23 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.866 0.867 . . . . 73.34 111.873 -178.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -71.02 -47.37 59.06 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 122.877 0.471 . . . . 75.03 111.444 -178.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 75.4 mtm -61.81 -47.53 84.71 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-O 120.88 0.372 . . . . 62.23 110.357 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 39.7 t -64.37 -36.29 76.75 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.929 0 C-N-CA 124.343 1.057 . . . . 63.11 111.1 176.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.46 -27.35 66.09 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 118.394 0.543 . . . . 42.52 111.248 177.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.75 -43.58 59.01 Favored Glycine 0 C--N 1.347 1.185 0 N-CA-C 111.153 -0.779 . . . . 73.44 111.153 171.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -67.69 -27.79 67.13 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.648 0.779 . . . . 72.42 111.323 176.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.453 ' HA ' HG22 ' A' ' 71' ' ' THR . 12.0 mt -75.85 -38.24 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.597 1.159 . . . . 74.25 109.651 178.66 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.16 -45.77 91.93 Favored 'General case' 0 C--N 1.351 0.631 0 N-CA-C 108.629 -0.878 . . . . 75.43 108.629 172.668 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -59.12 -54.84 42.46 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 123.979 0.799 . . . . 51.01 110.898 -178.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.453 HG22 ' HA ' ' A' ' 68' ' ' ILE . 8.9 t -61.69 -48.4 80.97 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-O 118.955 -0.545 . . . . 65.43 111.312 -176.631 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.2 mt -67.75 -38.84 84.03 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 112.761 0.652 . . . . 43.45 112.761 -176.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -73.76 -52.42 13.21 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.105 0.562 . . . . 73.23 110.273 -175.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -65.23 -34.14 77.65 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 115.1 -0.955 . . . . 74.12 111.104 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -75.39 -31.26 60.39 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.237 0.615 . . . . 72.22 111.437 176.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -65.02 -40.57 95.06 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-O 121.429 0.633 . . . . 64.35 109.685 175.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 80.2 mt -71.31 -37.96 71.76 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 115.016 -0.993 . . . . 74.13 111.061 176.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 35.6 mt -58.41 -41.81 85.77 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.233 0.613 . . . . 63.43 110.452 169.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.489 ' HE3' ' O ' ' A' 1009 ' ' LEU . 19.3 tptm -63.44 -50.27 70.43 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 124.383 1.073 . . . . 72.15 109.775 -175.22 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.97 -54.49 34.69 Favored Glycine 0 C--N 1.346 1.12 0 O-C-N 124.689 1.243 . . . . 72.13 112.818 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.516 HD22 ' HB1' ' A' ' 25' ' ' ALA . 9.7 tt -55.97 -57.79 10.62 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 123.863 0.865 . . . . 73.14 110.755 -178.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.511 HD13 ' HE1' ' A' 1008 ' ' TRP . 44.1 mt -65.2 -32.81 74.67 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.853 0.861 . . . . 71.34 112.334 -173.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -63.11 -49.83 72.87 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 109.682 -0.488 . . . . 74.44 109.682 173.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -65.67 -36.19 82.94 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 123.69 0.619 . . . . 74.22 111.839 -178.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.427 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 11.8 mmm180 -71.74 -48.0 49.99 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 122.792 0.437 . . . . 64.54 110.24 -177.562 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.55 HD11 ' HB3' ' A' 1005 ' ' LEU . 97.5 mt -63.74 -31.19 72.28 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 122.7 0.4 . . . . 75.24 111.359 176.727 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -58.84 -55.05 40.17 Favored 'General case' 0 C--O 1.249 1.046 0 C-N-CA 124.008 0.923 . . . . 52.21 109.848 173.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.527 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 42.0 mt-10 -57.85 -49.68 75.87 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-N 114.659 -1.155 . . . . 75.4 110.904 177.409 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 91.8 mt -57.42 -45.1 84.98 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 124.179 0.924 . . . . 74.45 111.638 -175.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.9 m -66.22 -34.96 79.19 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 122.804 0.441 . . . . 72.12 110.965 177.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.4 t -68.84 -31.2 70.0 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 122.705 0.402 . . . . 53.45 111.635 173.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 61.3 mt -73.68 -36.98 65.37 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.318 0.647 . . . . 62.32 110.355 179.303 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 78.0 mt -74.74 -31.36 26.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.141 0.977 . . . . 72.43 110.12 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 177.28 -80.53 0.07 OUTLIER Glycine 0 C--N 1.346 1.107 0 CA-C-N 116.044 -0.526 . . . . 61.02 112.021 174.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -135.5 126.97 28.65 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 123.844 0.858 . . . . 73.53 109.642 -177.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.9 p -81.04 122.16 35.76 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 N-CA-C 108.505 -0.924 . . . . 73.11 108.505 166.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.636 HD23 ' H ' ' A' ' 104' ' ' GLY . 25.3 tp -84.91 153.33 22.92 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 115.769 -0.65 . . . . 54.22 109.545 176.113 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -53.85 129.58 34.19 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.38 1.072 . . . . 71.24 111.057 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -59.21 145.2 43.66 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.774 0.829 . . . . 65.42 112.771 -171.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 151.43 -176.3 29.93 Favored Glycine 0 CA--C 1.524 0.615 0 CA-C-N 115.067 -0.969 . . . . 62.11 111.539 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -64.65 -27.64 60.8 Favored 'Trans proline' 0 C--N 1.366 1.453 0 C-N-CA 122.837 2.358 . . . . 62.52 112.018 174.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 54.6 p -87.95 -2.49 58.64 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.281 1.032 . . . . 51.35 112.284 -178.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.23 98.69 1.06 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.109 0.564 . . . . 72.53 110.264 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.636 ' H ' HD23 ' A' ' 97' ' ' LEU . . . -79.58 68.49 3.17 Favored Glycine 0 C--N 1.347 1.15 0 CA-C-N 115.947 -0.57 . . . . 74.31 112.468 177.135 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 59.9 mt -75.89 102.32 5.5 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 108.492 -0.929 . . . . 74.14 108.492 176.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 58.6 t 68.35 101.99 0.04 OUTLIER Pre-proline 0 CA--C 1.556 1.175 0 C-N-CA 124.842 1.257 . . . . 71.04 109.558 -169.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -78.06 33.87 0.47 Allowed 'Trans proline' 0 C--N 1.379 2.152 0 C-N-CA 123.935 3.09 . . . . 61.43 113.962 -175.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 22.5 ttm180 64.58 85.6 0.14 Allowed 'General case' 0 C--N 1.357 0.893 0 C-N-CA 124.899 1.28 . . . . 71.42 110.972 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -177.36 33.19 0.08 OUTLIER Glycine 0 C--N 1.345 1.035 0 CA-C-N 115.407 -0.815 . . . . 65.04 112.478 -178.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 59.3 m -157.21 107.59 2.26 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.09 0.956 . . . . 71.23 109.074 -178.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -71.07 143.75 36.69 Favored Glycine 0 C--N 1.354 1.566 0 O-C-N 123.141 0.276 . . . . 71.02 113.195 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.85 -56.04 4.65 Favored Glycine 0 C--N 1.349 1.291 0 N-CA-C 110.862 -0.895 . . . . 63.1 110.862 -175.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 69.1 mt -59.7 -31.22 46.64 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 C-N-CA 124.605 1.162 . . . . 54.4 110.209 169.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -52.61 -60.38 3.31 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.907 1.283 . . . . 74.13 111.303 178.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -61.67 -40.74 99.16 Favored Glycine 0 C--N 1.348 1.238 0 O-C-N 124.043 0.839 . . . . 44.55 112.364 178.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 58.5 ttp -56.63 -65.86 0.54 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.33 0.652 . . . . 71.04 111.223 -179.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 42.0 p -69.32 -46.04 68.05 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 118.999 -0.524 . . . . 71.03 111.719 -173.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 63.2 m -64.25 -48.58 75.23 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 118.094 0.406 . . . . 73.42 111.651 -176.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -68.62 -38.26 80.42 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-O 118.677 -0.677 . . . . 61.52 110.974 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1005 ' ' LEU . . . . . 0.55 ' HB3' HD11 ' A' ' 86' ' ' LEU . 40.5 mt -72.91 -32.87 65.63 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-O 118.904 -0.569 . . . . 63.41 112.427 -178.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 40.5 p -72.1 -40.95 67.83 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-N 118.999 0.818 . . . . 64.22 109.764 176.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -63.63 -35.97 82.29 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.669 0.787 . . . . 64.24 110.549 173.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1008 ' ' TRP . . . . . 0.595 ' HH2' HD13 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -66.57 -44.61 81.81 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.179 0.991 . . . . 72.43 109.732 176.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1009 ' ' LEU . . . . . 0.489 ' O ' ' HE3' ' A' ' 79' ' ' LYS . 91.2 mt -66.67 -38.06 86.06 Favored 'General case' 0 C--N 1.358 0.942 0 O-C-N 123.585 0.553 . . . . 73.32 110.605 -178.562 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 12.9 t -75.26 -23.94 57.55 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 118.489 0.586 . . . . 74.12 110.703 177.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -77.46 -27.53 52.11 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 122.879 0.472 . . . . 62.4 111.3 171.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1012 ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' 1008 ' ' TRP . 34.1 mt -72.06 -39.78 68.78 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 108.773 -0.825 . . . . 60.24 108.773 172.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 11.8 t70 -69.81 -35.61 74.95 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 114.944 -1.025 . . . . 73.45 109.967 -178.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 9.6 t30 -66.58 -46.94 74.34 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 115.272 -0.876 . . . . 53.35 110.535 174.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 54.5 t80 -57.38 -57.38 12.9 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 123.702 0.626 . . . . 72.41 109.876 177.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -42.36 -56.72 2.87 Favored 'General case' 0 CA--C 1.549 0.94 0 O-C-N 125.092 1.495 . . . . 73.13 112.277 174.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1017 ' ' ALA . . . . . 0.437 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -60.26 -60.07 4.4 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.478 0.711 . . . . 72.33 112.021 -178.086 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1018 ' ' LYS . . . . . 0.454 ' HD3' HD12 ' A' 1021 ' ' LEU . 32.0 mmtp -69.64 -29.18 66.59 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.642 0.777 . . . . 73.3 112.076 -170.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1019 ' ' MET . . . . . 0.557 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.1 OUTLIER -82.5 -26.8 32.21 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 110.395 -0.224 . . . . 71.25 110.395 179.67 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -71.77 -25.47 62.04 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.451 -0.34 . . . . 74.24 110.404 168.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1021 ' ' LEU . . . . . 0.454 HD12 ' HD3' ' A' 1018 ' ' LYS . 93.6 mt -75.36 -31.12 60.43 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 118.591 -0.718 . . . . 73.22 111.315 173.065 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1022 ' ' LEU . . . . . 0.557 ' HG ' ' HA ' ' A' 1019 ' ' MET . 85.4 mt -48.75 109.49 1.2 Allowed Pre-proline 0 N--CA 1.5 2.074 0 C-N-CA 123.183 0.593 . . . . 62.23 111.533 175.26 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -92.35 21.57 0.7 Allowed 'Trans proline' 0 C--N 1.375 1.951 0 C-N-CA 122.988 2.459 . . . . 72.1 111.385 176.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -88.19 -56.63 3.24 Favored 'General case' 0 C--N 1.343 0.309 0 C-N-CA 124.783 1.233 . . . . 60.22 111.14 -169.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1025 ' ' VAL . . . . . . . . . . . . . 33.9 t . . . . . 0 C--O 1.248 1.019 0 N-CA-C 108.54 -0.911 . . . . 71.42 108.54 -179.688 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.403 ' O ' HG23 ' A' ' 5' ' ' VAL . 20.0 ptt? . . . . . 0 N--CA 1.487 1.395 0 N-CA-C 111.574 0.212 . . . . 73.23 111.574 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.4 m -60.37 -48.76 80.36 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 112.393 0.516 . . . . 75.24 112.393 -173.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.9 m -60.05 -42.66 94.95 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 123.479 0.487 . . . . 75.41 110.496 178.003 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 93.7 m -57.85 -47.84 81.52 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 124.699 1.2 . . . . 73.55 111.379 177.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 1' ' ' MET . 84.1 t -62.46 -58.14 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 123.194 0.598 . . . . 72.41 110.271 -178.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.497 ' HB3' ' NH2' ' A' ' 10' ' ' ARG . 48.9 mt-10 -55.05 -43.63 73.99 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.487 0.715 . . . . 73.51 111.59 -177.136 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -63.93 -60.05 3.75 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 114.844 -1.071 . . . . 71.41 110.788 -176.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.594 HD11 HG12 ' A' ' 60' ' ' ILE . 80.0 mt -65.31 -45.05 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 C-N-CA 123.565 0.746 . . . . 64.04 111.599 -175.746 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -66.2 -39.29 89.56 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.625 0.77 . . . . 71.2 111.537 -176.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.497 ' NH2' ' HB3' ' A' ' 6' ' ' GLU . 53.1 mtm180 -85.97 -23.36 26.93 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-O 118.574 -0.727 . . . . 63.25 112.42 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 15.6 m95 -64.53 -41.77 96.17 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-N 118.648 0.658 . . . . 71.35 109.225 167.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.45 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 65.1 tt0 -60.53 -46.64 89.42 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 114.907 -1.042 . . . . 73.24 109.889 174.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -59.33 -40.38 86.15 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 123.992 0.808 . . . . 74.42 111.072 -178.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.418 HG22 ' OG1' ' A' ' 71' ' ' THR . 96.4 mt -68.58 -38.3 78.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 123.893 0.877 . . . . 72.54 110.967 178.186 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.13 -43.1 93.01 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 121.299 0.571 . . . . 45.5 110.804 177.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 84.5 mt -62.8 -49.92 73.06 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.522 1.129 . . . . 74.02 110.057 178.353 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.9 mt -62.1 -44.45 96.62 Favored 'General case' 0 C--O 1.209 -1.055 0 CA-C-N 115.049 -0.978 . . . . 62.02 111.138 179.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 65.5 p -66.84 -43.57 83.34 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.546 0.338 . . . . 73.14 111.459 -174.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -67.86 -38.26 82.88 Favored 'General case' 0 N--CA 1.484 1.242 0 O-C-N 123.165 0.291 . . . . 71.12 111.067 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.527 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 73.8 m -60.52 -60.3 4.02 Favored 'General case' 0 C--N 1.356 0.862 0 O-C-N 123.67 0.606 . . . . 53.33 109.935 175.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.593 HD13 ' HH2' ' A' 1008 ' ' TRP . 37.7 mt -56.31 -30.39 62.48 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.798 1.639 . . . . 74.3 111.75 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.462 HD22 ' HA ' ' A' ' 74' ' ' ASN . 53.5 tp -66.56 -51.0 61.25 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 123.7 0.625 . . . . 71.35 110.39 177.414 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -60.11 -39.66 86.96 Favored 'General case' 0 N--CA 1.484 1.227 0 O-C-N 123.929 0.768 . . . . 54.44 110.598 178.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 20' ' ' SER . 64.8 mt -63.2 -46.02 88.99 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 115.585 -0.734 . . . . 73.5 110.475 179.273 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.469 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -61.57 -39.04 89.73 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.527 0.731 . . . . 74.44 111.216 177.253 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -68.82 -25.77 64.84 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 115.469 -0.787 . . . . 72.32 111.661 176.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -93.03 -1.11 56.91 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 122.986 0.514 . . . . 64.44 112.178 173.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.5 13.94 82.93 Favored Glycine 0 CA--C 1.534 1.281 0 N-CA-C 114.262 0.465 . . . . 62.32 114.262 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -80.36 75.81 7.18 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.612 1.165 . . . . 72.45 110.092 -179.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.409 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 8.5 m95 -70.4 -33.9 71.92 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 122.931 0.492 . . . . 71.53 111.655 -172.466 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -58.69 -40.01 82.35 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.997 0.919 . . . . 73.04 111.714 -175.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.63 -31.6 71.73 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.345 -0.843 . . . . 73.22 110.894 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' A' ' 37' ' ' GLU . 10.5 mp -70.38 -38.8 74.79 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 122.671 0.389 . . . . 74.03 110.439 172.134 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 30' ' ' TRP . 75.9 mt -64.44 -34.38 78.07 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.241 0.617 . . . . 74.53 111.048 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -76.45 -56.98 4.13 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.387 1.075 . . . . 74.54 110.918 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.522 ' HB2' HD21 ' A' ' 21' ' ' LEU . 86.1 mt-30 -78.43 -8.24 58.27 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.573 1.149 . . . . 74.21 112.289 -173.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 80.6 tt0 -43.8 -65.74 0.47 Allowed 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 125.095 1.358 . . . . 71.41 112.654 175.554 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.0 m -65.66 -26.18 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 O-C-N 123.396 0.435 . . . . 73.02 111.922 -173.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.8 m -71.2 -46.72 60.63 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.532 0.733 . . . . 51.33 110.592 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -61.82 -48.66 79.57 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.019 -0.991 . . . . 64.5 110.055 178.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 64.7 mt -71.64 -28.49 63.8 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 115.101 -0.954 . . . . 61.41 111.262 -176.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -67.91 -48.21 66.61 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.014 0.525 . . . . 74.3 110.018 175.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.5 t -61.71 -38.32 87.44 Favored 'General case' 0 CA--C 1.552 1.022 0 O-C-N 124.011 0.82 . . . . 74.01 109.928 179.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.6 mt -56.27 -51.79 59.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 124.775 1.23 . . . . 73.11 110.904 172.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -63.16 -45.49 91.61 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 114.655 -1.157 . . . . 74.22 110.976 -173.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.6 t -76.84 -32.88 57.85 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 115.497 -0.774 . . . . 62.31 112.458 -174.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.8 p -74.15 -35.41 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 CA-C-N 118.051 0.387 . . . . 71.24 110.198 178.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.447 ' SD ' ' HD2' ' A' 1018 ' ' LYS . 56.4 ttm -72.32 -30.1 64.45 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.48 -0.782 . . . . 74.45 109.871 177.361 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -69.3 -33.64 73.48 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 115.725 -0.67 . . . . 63.34 110.715 172.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.408 ' HG3' ' NH2' ' A' ' 10' ' ' ARG . 73.6 mmtt -90.59 33.4 0.92 Allowed 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.852 0.861 . . . . 73.43 111.709 177.513 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -54.21 105.71 0.16 Allowed 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 123.597 0.759 . . . . 74.33 110.885 176.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 48.9 p -73.64 151.55 89.23 Favored Pre-proline 0 CA--C 1.552 1.052 0 C-N-CA 123.751 0.82 . . . . 73.21 111.064 -178.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -59.99 157.57 33.43 Favored 'Trans proline' 0 C--N 1.378 2.107 0 C-N-CA 123.026 2.484 . . . . 74.03 113.554 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_exo -45.9 -47.22 14.45 Favored 'Trans proline' 0 C--N 1.387 2.583 0 C-N-CA 124.493 3.462 . . . . 74.41 114.907 -176.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -69.37 80.68 0.29 Allowed Glycine 0 C--N 1.349 1.294 0 O-C-N 123.892 0.745 . . . . 73.35 113.263 -177.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.4 HG23 ' HB ' ' A' ' 60' ' ' ILE . 9.5 mm -103.17 126.16 57.53 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 C-N-CA 124.559 1.144 . . . . 53.42 109.334 178.757 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.8 t -68.57 171.98 6.83 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.488 1.115 . . . . 65.31 111.989 -177.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -51.5 68.55 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 125.145 1.378 . . . . 73.52 112.968 -173.143 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.4 m -60.12 -52.74 64.06 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 123.557 0.536 . . . . 52.43 111.211 -177.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.594 HG12 HD11 ' A' ' 8' ' ' ILE . 53.1 mt -62.52 -40.4 88.06 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 CA-C-N 115.584 -0.734 . . . . 75.4 110.185 -179.169 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -62.67 -52.47 63.2 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.756 0.422 . . . . 64.31 110.376 -177.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.61 -47.78 80.01 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.655 0.597 . . . . 74.45 111.214 -176.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 73.1 mtm -62.98 -60.17 3.82 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 123.349 0.405 . . . . 72.51 111.066 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.3 t -55.77 -44.75 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 123.765 0.826 . . . . 75.24 111.626 -178.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.59 -35.27 80.33 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 122.68 0.392 . . . . 74.11 111.406 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.85 -40.02 96.99 Favored Glycine 0 C--N 1.348 1.202 0 O-C-N 123.578 0.549 . . . . 71.45 112.148 175.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -73.21 -35.72 66.37 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.34 0.656 . . . . 72.53 110.658 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 37.6 mt -66.37 -44.95 90.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.246 1.018 . . . . 73.21 110.081 177.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -66.72 -40.6 88.47 Favored 'General case' 0 C--O 1.243 0.735 0 N-CA-C 109.223 -0.658 . . . . 55.11 109.223 -177.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -59.07 -56.12 26.27 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 114.509 -1.223 . . . . 73.41 110.46 176.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.418 ' OG1' HG22 ' A' ' 14' ' ' ILE . 10.2 t -70.51 -33.11 70.83 Favored 'General case' 0 C--O 1.211 -0.927 0 O-C-N 123.556 0.535 . . . . 74.2 112.086 -172.423 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.542 HD22 ' HG3' ' A' 1016 ' ' GLU . 51.7 mt -68.98 -40.36 78.86 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 118.149 0.431 . . . . 74.43 110.587 177.044 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -63.66 -52.64 59.83 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 123.5 0.5 . . . . 71.31 109.903 177.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.462 ' HA ' HD22 ' A' ' 22' ' ' LEU . 13.3 m120 -68.67 -35.84 77.74 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.256 -0.883 . . . . 53.42 111.747 -174.234 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.579 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 27.3 tt0 -78.95 -32.01 45.29 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 123.469 0.481 . . . . 54.54 111.153 -179.13 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -66.94 -39.84 87.43 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 109.212 -0.662 . . . . 61.5 109.212 175.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.4 mt -66.34 -35.23 79.84 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 114.845 -1.07 . . . . 73.12 110.874 171.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.579 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 7.9 mt -61.84 -65.06 0.75 Allowed 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.14 0.576 . . . . 71.21 110.191 176.166 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.525 ' HA ' HD22 ' A' 1009 ' ' LEU . 19.7 pttm -66.5 -26.72 67.3 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 112.526 0.565 . . . . 73.14 112.526 -174.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.78 -57.39 11.12 Favored Glycine 0 C--N 1.346 1.126 0 N-CA-C 112.19 -0.364 . . . . 73.42 112.19 172.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.501 ' O ' ' HG2' ' A' ' 85' ' ' ARG . 7.4 tt -58.63 -52.01 67.5 Favored 'General case' 0 C--O 1.212 -0.87 0 C-N-CA 123.483 0.713 . . . . 54.54 110.763 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.485 HD13 ' HE1' ' A' 1008 ' ' TRP . 48.7 mt -63.42 -36.1 82.6 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.512 1.125 . . . . 70.23 111.989 -176.417 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -62.11 -45.34 93.89 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 109.929 -0.397 . . . . 74.01 109.929 173.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -62.98 -39.54 95.02 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 124.019 0.824 . . . . 62.54 111.29 178.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 81' ' ' LEU . 31.6 mmm-85 -73.17 -47.19 45.85 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 109.863 -0.421 . . . . 74.44 109.863 -176.007 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.444 HD11 ' HB3' ' A' 1005 ' ' LEU . 96.3 mt -66.09 -25.78 67.17 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.359 0.664 . . . . 43.13 111.192 175.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.416 ' HA ' HG21 ' A' ' 96' ' ' VAL . 18.5 t70 -65.17 -48.19 74.38 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 108.873 -0.788 . . . . 71.22 108.873 174.375 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.547 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 50.0 mt-10 -59.03 -60.23 4.2 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 124.163 0.914 . . . . 73.44 110.374 175.521 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 96.2 mt -52.05 -50.35 61.67 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.212 1.405 . . . . 74.42 112.092 -176.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.3 m -67.76 -37.86 82.68 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 119.347 -0.358 . . . . 60.52 110.889 -178.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 43.7 t -59.68 -32.77 70.8 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 122.821 0.448 . . . . 62.41 110.917 174.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 45.6 mt -74.01 -48.65 28.7 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.137 0.575 . . . . 73.22 110.434 177.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 82.3 mt -77.39 -56.4 8.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.954 0.901 . . . . 70.51 112.261 -169.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.29 39.64 0.49 Allowed Glycine 0 C--N 1.353 1.526 0 C-N-CA 121.738 -0.268 . . . . 72.53 113.551 -175.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 65.77 136.62 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 126.085 1.754 . . . . 51.42 113.482 178.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.416 HG21 ' HA ' ' A' ' 87' ' ' ASP . 7.6 p -96.02 151.17 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.919 0.888 . . . . 71.12 109.998 175.206 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.9 mp -86.6 76.96 9.47 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 109.833 -0.432 . . . . 73.35 109.833 176.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 21.4 p90 44.56 -71.42 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.107 0 C-N-CA 127.202 2.201 . . . . 74.03 115.317 176.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 24.8 tm0? -155.83 105.84 2.42 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 106.9 -1.518 . . . . 70.32 106.9 175.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -174.33 82.08 0.08 OUTLIER Glycine 0 CA--C 1.531 1.055 0 N-CA-C 111.959 -0.456 . . . . 44.1 111.959 -176.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -66.61 -43.36 7.71 Favored 'Trans proline' 0 C--N 1.379 2.161 0 C-N-CA 122.953 2.435 . . . . 65.24 111.954 176.139 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.9 m -73.97 -15.14 61.12 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.905 0.882 . . . . 64.54 111.559 -179.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.91 -24.37 63.37 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 123.654 0.782 . . . . 71.41 111.504 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 86.54 127.91 2.26 Favored Glycine 0 C--N 1.353 1.496 0 N-CA-C 112.014 -0.435 . . . . 71.13 112.014 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 87.9 mt -119.4 151.67 38.12 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.115 0.566 . . . . 72.43 111.348 -174.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 58.3 t 61.56 90.86 0.08 OUTLIER Pre-proline 0 CA--C 1.559 1.308 0 C-N-CA 125.37 1.468 . . . . 72.24 110.543 -171.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -80.47 -4.71 13.14 Favored 'Trans proline' 0 C--N 1.377 2.073 0 C-N-CA 123.285 2.657 . . . . 63.32 113.932 -175.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -88.9 126.73 35.51 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.465 0.706 . . . . 72.41 110.201 -178.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -67.68 105.86 1.52 Allowed Glycine 0 CA--C 1.532 1.155 0 O-C-N 124.278 0.986 . . . . 14.32 112.776 177.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.432 ' O ' ' HB3' ' A' ' 114' ' ' GLU . 49.3 m -142.9 117.55 9.8 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.394 1.078 . . . . 72.34 109.447 -178.503 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -73.66 77.04 0.95 Allowed Glycine 0 C--N 1.347 1.14 0 C-N-CA 122.911 0.291 . . . . 75.13 113.292 -176.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 169.87 -79.83 0.1 OUTLIER Glycine 0 C--N 1.345 1.049 0 N-CA-C 111.794 -0.522 . . . . 60.02 111.794 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 66.5 mt -65.61 -53.24 41.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 123.661 0.785 . . . . 75.12 110.279 177.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.432 ' HB3' ' O ' ' A' ' 110' ' ' SER . 2.5 tm-20 -63.7 -33.46 75.69 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 123.819 0.699 . . . . 64.04 109.905 177.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -57.12 -47.72 85.34 Favored Glycine 0 C--N 1.35 1.351 0 N-CA-C 111.828 -0.509 . . . . 73.41 111.828 172.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 46.9 ttp -64.76 -48.72 73.51 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.398 1.079 . . . . 72.23 111.583 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 46.6 p -70.42 -42.04 72.13 Favored 'General case' 0 C--O 1.218 -0.57 0 C-N-CA 122.81 0.444 . . . . 53.4 110.996 -174.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 95.5 m -62.19 -45.51 93.06 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 122.983 0.513 . . . . 74.31 110.514 176.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 64.6 mtt-85 -55.49 -51.77 65.87 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 123.723 0.639 . . . . 52.3 110.78 174.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1005 ' ' LEU . . . . . 0.568 ' O ' ' HG ' ' A' 1009 ' ' LEU . 53.8 mt -68.64 -35.53 77.39 Favored 'General case' 0 C--O 1.21 -0.987 0 O-C-N 123.823 0.702 . . . . 72.34 112.258 -174.486 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 45.2 p -74.91 -38.51 61.81 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-N 118.94 0.791 . . . . 72.03 110.805 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -61.87 -39.07 90.63 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-O 121.648 0.737 . . . . 74.11 110.127 170.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1008 ' ' TRP . . . . . 0.593 ' HH2' HD13 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -65.64 -42.23 91.69 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 114.711 -1.131 . . . . 73.43 109.972 177.27 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1009 ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' 1005 ' ' LEU . 62.0 mt -70.45 -33.68 71.58 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 122.959 0.504 . . . . 74.33 111.437 -178.046 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 5.3 t -74.64 -30.27 61.56 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 109.857 -0.423 . . . . 74.24 109.857 176.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -72.91 -30.76 64.16 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.33 0.652 . . . . 54.44 111.238 173.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1012 ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' 1008 ' ' TRP . 20.4 mt -69.66 -46.09 66.91 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 121.456 0.646 . . . . 64.4 109.54 175.454 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 24.1 t70 -63.09 -37.99 89.4 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 114.93 -1.032 . . . . 73.4 110.283 177.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 6.2 t30 -64.33 -44.58 91.08 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.869 0.868 . . . . 61.12 111.046 176.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 40.8 t80 -62.02 -58.95 5.92 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 123.698 0.624 . . . . 70.21 109.821 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1016 ' ' GLU . . . . . 0.542 ' HG3' HD22 ' A' ' 72' ' ' LEU . 34.5 tt0 -54.78 -44.53 73.79 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 123.969 0.793 . . . . 73.24 111.684 -177.634 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1017 ' ' ALA . . . . . 0.424 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -63.97 -57.49 9.58 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.203 0.601 . . . . 62.11 111.729 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1018 ' ' LYS . . . . . 0.447 ' HD2' ' SD ' ' A' ' 48' ' ' MET . 1.0 OUTLIER -69.47 -33.01 72.28 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.808 0.843 . . . . 73.02 110.383 -173.174 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1019 ' ' MET . . . . . 0.567 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.1 OUTLIER -77.56 -25.57 50.18 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.948 -0.47 . . . . 73.33 110.21 179.23 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -69.55 -30.73 68.61 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 110.022 -0.362 . . . . 63.42 110.022 166.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1021 ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' 1017 ' ' ALA . 80.9 mt -72.78 -21.14 61.04 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.23 0.612 . . . . 63.31 111.721 174.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1022 ' ' LEU . . . . . 0.567 ' HG ' ' HA ' ' A' 1019 ' ' MET . 90.6 mt -53.18 113.78 5.14 Favored Pre-proline 0 N--CA 1.496 1.863 0 CA-C-N 118.009 0.368 . . . . 53.32 110.572 168.544 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -95.39 27.06 0.27 Allowed 'Trans proline' 0 C--N 1.377 2.069 0 C-N-CA 123.213 2.609 . . . . 53.32 112.953 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -119.86 -52.64 2.21 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.493 0.717 . . . . 52.22 110.065 -178.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1025 ' ' VAL . . . . . . . . . . . . . 15.5 m . . . . . 0 CA--C 1.557 1.247 0 C-N-CA 124.838 1.255 . . . . 54.42 109.292 179.401 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 119.643 -0.218 . . . . 74.13 110.436 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.3 m -53.78 -51.87 62.05 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.624 0.77 . . . . 65.11 112.912 -169.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.7 p -62.03 -42.0 98.7 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.802 0.441 . . . . 33.13 110.941 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 33.4 m -62.76 -58.39 7.62 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.817 1.247 . . . . 72.43 111.515 -177.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.8 p -61.87 -38.82 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 123.701 0.8 . . . . 51.21 110.857 -178.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -61.16 -50.11 74.49 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.724 0.809 . . . . 55.53 110.737 -179.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -65.96 -46.62 77.43 Favored 'General case' 0 CA--C 1.552 1.039 0 CA-C-N 114.653 -1.158 . . . . 64.45 111.469 -177.043 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.415 HG23 ' HE1' ' A' ' 67' ' ' TYR . 91.0 mt -68.96 -33.65 60.11 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 C-N-CA 124.322 1.049 . . . . 60.54 111.196 -178.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -73.96 -32.52 63.5 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 122.916 0.486 . . . . 63.42 111.279 177.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.591 HH12 ' HD3' ' A' ' 50' ' ' LYS . 68.2 mtt180 -64.42 -51.63 62.19 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 109.853 -0.425 . . . . 71.15 109.853 172.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 54.4 m95 -61.5 -34.09 74.89 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 123.574 0.547 . . . . 70.24 111.772 176.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.438 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 60.7 tt0 -61.4 -50.09 74.27 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.321 0.648 . . . . 53.4 109.383 176.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -57.45 -46.47 83.59 Favored 'General case' 0 C--O 1.21 -0.995 0 O-C-N 124.219 0.949 . . . . 62.44 111.149 177.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.461 HG22 ' OG1' ' A' ' 71' ' ' THR . 77.6 mt -64.99 -38.02 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 123.27 0.628 . . . . 73.12 111.573 -176.251 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.18 -46.7 66.88 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 122.558 0.343 . . . . 54.45 111.167 177.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 84.5 mt -65.8 -39.9 91.38 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.357 0.663 . . . . 71.1 110.776 -179.375 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.3 mt -69.77 -49.48 52.53 Favored 'General case' 0 C--O 1.212 -0.896 0 C-N-CA 123.774 0.83 . . . . 72.44 110.148 -178.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.8 p -60.83 -36.76 79.92 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 118.15 0.432 . . . . 60.31 110.922 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -65.22 -49.36 70.0 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.486 0.715 . . . . 71.01 111.315 176.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.405 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 59.5 m -59.56 -55.74 30.66 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.741 0.816 . . . . 73.41 110.628 179.134 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.572 HD13 ' HH2' ' A' 1008 ' ' TRP . 66.9 mt -58.7 -31.8 68.57 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.12 1.368 . . . . 71.11 111.574 179.26 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.6 tp -65.41 -50.17 66.49 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 122.609 0.364 . . . . 73.43 110.535 175.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.473 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 48.4 mt-10 -55.76 -48.57 75.03 Favored 'General case' 0 N--CA 1.482 1.151 0 O-C-N 124.308 1.005 . . . . 74.24 109.949 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.465 HD22 ' HG2' ' A' ' 29' ' ' GLU . 64.9 mt -59.23 -47.54 84.98 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 114.369 -1.287 . . . . 52.22 110.854 179.503 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.497 ' HB2' HD21 ' A' ' 33' ' ' LEU . . . -64.11 -36.41 83.95 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.408 0.683 . . . . 62.15 111.745 -178.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -67.39 -38.8 85.28 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.264 0.626 . . . . 54.5 110.493 176.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 25.7 mmm180 -79.02 -14.39 59.21 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.076 0.55 . . . . 75.04 111.826 -179.148 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.0 7.27 58.69 Favored Glycine 0 N--CA 1.476 1.343 0 O-C-N 123.003 0.189 . . . . 71.13 113.391 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.465 ' HG2' HD22 ' A' ' 24' ' ' LEU . 10.6 tp10 -76.39 95.22 3.77 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.434 1.094 . . . . 65.1 110.986 176.197 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 29.1 m95 -90.39 -30.28 17.49 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 123.492 0.717 . . . . 72.34 112.692 -177.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -64.88 -39.44 93.54 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.624 0.77 . . . . 71.35 111.637 -172.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.412 ' HB2' HD13 ' A' ' 24' ' ' LEU . 81.8 mt -74.72 -21.33 59.43 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 116.503 -0.317 . . . . 70.11 111.316 178.235 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.497 HD21 ' HB2' ' A' ' 25' ' ' ALA . 10.4 mp -69.92 -45.54 67.31 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 109.352 -0.61 . . . . 72.04 109.352 170.281 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.62 -31.84 73.13 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 124.0 0.812 . . . . 74.55 111.379 177.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -76.73 -52.84 8.85 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 120.968 0.413 . . . . 74.34 110.922 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.517 ' HB2' HD21 ' A' ' 21' ' ' LEU . 81.4 mt-30 -78.78 -9.94 59.61 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.941 0.896 . . . . 72.53 112.618 -176.355 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.487 ' HG3' ' HE3' ' A' 1008 ' ' TRP . 34.5 tt0 -44.43 -51.74 8.4 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.629 1.172 . . . . 51.14 112.127 175.003 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.3 p -56.7 -45.12 82.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 O-C-N 123.833 0.708 . . . . 73.55 111.622 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.1 m -70.88 -40.06 72.47 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.509 0.724 . . . . 73.33 112.06 -174.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -69.93 -49.79 48.49 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.383 0.673 . . . . 75.31 110.676 -177.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.9 mt -68.16 -31.41 70.94 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 123.845 0.716 . . . . 74.23 110.968 -179.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -66.73 -44.31 81.89 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.054 0.542 . . . . 73.2 110.656 175.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.445 ' HA ' HG22 ' A' ' 46' ' ' THR . 9.2 t -67.02 -38.63 86.28 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.314 0.646 . . . . 75.23 110.235 -178.696 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.8 mt -58.02 -50.72 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.807 1.243 . . . . 63.44 110.53 172.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -63.78 -42.19 97.8 Favored 'General case' 0 C--N 1.345 0.411 0 CA-C-N 115.163 -0.926 . . . . 74.34 110.598 -175.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.445 HG22 ' HA ' ' A' ' 43' ' ' SER . 14.3 t -79.02 -25.75 43.25 Favored 'General case' 0 CA--C 1.548 0.868 0 O-C-N 123.359 0.412 . . . . 72.55 111.95 -174.39 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.5 p -79.5 -32.99 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 CA-C-N 118.558 0.617 . . . . 44.44 110.697 175.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.7 ttm -75.94 -34.98 59.87 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.781 -0.645 . . . . 61.1 109.492 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -68.68 -30.76 69.51 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.219 -0.901 . . . . 73.35 110.297 171.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.591 ' HD3' HH12 ' A' ' 10' ' ' ARG . 53.4 tptt -69.05 84.97 0.34 Allowed 'General case' 0 C--O 1.244 0.799 0 N-CA-C 109.007 -0.738 . . . . 75.3 109.007 174.461 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -72.18 103.7 3.41 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 107.976 -1.12 . . . . 65.35 107.976 177.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.5 m -97.96 135.57 21.41 Favored Pre-proline 0 CA--C 1.544 0.721 0 CA-C-N 114.725 -1.125 . . . . 73.53 109.3 -175.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -59.04 155.41 39.34 Favored 'Trans proline' 0 C--N 1.378 2.13 0 C-N-CA 122.895 2.397 . . . . 63.33 113.264 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -51.56 -44.76 41.99 Favored 'Trans proline' 0 C--N 1.379 2.148 0 C-N-CA 123.919 3.079 . . . . 75.32 112.851 173.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -67.45 85.24 0.14 Allowed Glycine 0 C--N 1.346 1.135 0 CA-C-N 115.177 -0.919 . . . . 65.22 113.831 -178.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.496 HG23 ' HB ' ' A' ' 60' ' ' ILE . 9.3 mm -120.16 117.6 54.07 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 124.322 1.049 . . . . 65.41 108.775 175.234 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.0 t -61.79 161.11 10.71 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.095 0.958 . . . . 63.32 112.102 -178.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 -55.35 -30.78 60.95 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.393 1.077 . . . . 72.41 112.76 -176.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.1 m -66.45 -58.04 6.09 Favored 'General case' 0 C--O 1.248 1.002 0 C-N-CA 122.842 0.457 . . . . 73.33 111.19 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.496 ' HB ' HG23 ' A' ' 56' ' ' ILE . 62.6 mt -63.5 -42.56 96.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 115.502 -0.772 . . . . 74.53 109.329 -177.699 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.427 ' HB2' HG22 ' A' ' 56' ' ' ILE . 37.1 tt0 -61.13 -39.94 91.94 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.791 0.836 . . . . 72.51 111.066 178.418 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -63.19 -52.91 60.4 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.161 0.585 . . . . 71.1 110.858 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 69.2 mtm -67.79 -49.52 61.94 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 115.448 -0.796 . . . . 73.25 111.594 -175.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.7 t -59.83 -48.01 89.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 123.832 0.853 . . . . 63.33 111.105 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.487 ' HA ' ' HB ' ' A' ' 68' ' ' ILE . . . -66.5 -27.64 67.94 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 123.204 0.315 . . . . 71.22 111.293 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.36 -53.24 47.23 Favored Glycine 0 C--N 1.352 1.468 0 N-CA-C 111.494 -0.642 . . . . 64.01 111.494 171.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.415 ' HE1' HG23 ' A' ' 8' ' ' ILE . 25.1 m-85 -60.17 -34.39 73.52 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 114.919 -0.64 . . . . 70.5 111.692 176.304 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.487 ' HB ' ' HA ' ' A' ' 65' ' ' ALA . 20.8 mt -64.26 -50.21 77.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.843 1.257 . . . . 64.32 111.044 179.726 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 74.0 mmtt -66.37 -40.77 89.94 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 120.64 0.257 . . . . 73.21 110.51 -178.443 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -61.57 -50.59 72.0 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.427 -0.806 . . . . 75.11 110.915 177.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.461 ' OG1' HG22 ' A' ' 14' ' ' ILE . 6.3 t -73.68 -34.85 65.08 Favored 'General case' 0 C--O 1.213 -0.851 0 CA-C-O 119.236 -0.411 . . . . 63.14 111.827 -173.365 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.445 HD21 ' SD ' ' A' 1019 ' ' MET . 43.6 mt -67.66 -40.73 84.47 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 117.964 0.347 . . . . 75.11 110.645 177.237 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -63.53 -50.77 68.25 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.952 0.501 . . . . 74.42 110.807 176.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.429 HD22 ' N ' ' A' ' 74' ' ' ASN . 0.8 OUTLIER -73.11 -32.97 65.28 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 115.078 -0.965 . . . . 43.02 111.343 -172.275 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.448 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 30.1 tt0 -79.67 -28.42 40.74 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 122.975 0.51 . . . . 72.0 110.479 176.688 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -65.69 -39.56 91.39 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-O 121.205 0.526 . . . . 62.21 109.799 172.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.1 mt -69.25 -39.43 78.49 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 115.163 -0.926 . . . . 75.35 110.9 174.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.448 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 20.3 mt -60.07 -48.75 80.4 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.353 0.661 . . . . 73.41 110.922 172.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -65.59 -43.88 88.33 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.515 1.126 . . . . 62.5 109.98 -173.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.35 -50.62 55.0 Favored Glycine 0 C--N 1.345 1.049 0 CA-C-N 115.024 -0.989 . . . . 74.33 112.583 177.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.401 HD22 ' HB1' ' A' ' 25' ' ' ALA . 10.1 tt -61.71 -46.6 88.98 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.704 0.802 . . . . 65.21 111.041 -177.512 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.401 ' HB2' HD21 ' A' 1009 ' ' LEU . 39.5 mt -76.67 -35.59 57.83 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.632 0.773 . . . . 74.13 111.801 -172.602 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 26.1 tp60 -67.89 -43.55 79.06 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 109.553 -0.536 . . . . 61.22 109.553 175.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.3 tm0? -58.81 -45.44 89.95 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.652 1.181 . . . . 72.22 110.52 175.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.8 -55.77 13.4 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 115.271 -0.877 . . . . 71.15 109.884 -174.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.484 HD11 ' HB3' ' A' 1005 ' ' LEU . 94.9 mt -60.79 -31.32 70.7 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.994 0.918 . . . . 74.12 111.693 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -60.4 -54.78 41.46 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.944 0.897 . . . . 74.14 109.88 175.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.497 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 57.9 mt-10 -64.33 -41.19 96.91 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 115.156 -0.929 . . . . 74.14 111.36 178.468 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 85.0 mt -58.56 -43.38 89.35 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.113 0.965 . . . . 73.21 110.703 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 67.4 m -70.18 -27.96 64.93 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.969 0.507 . . . . 72.41 111.017 177.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.3 m -73.5 -23.58 60.06 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 122.79 0.436 . . . . 75.45 111.57 170.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 47.4 mt -80.75 -38.07 29.33 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.062 0.545 . . . . 72.35 110.429 176.295 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 85.3 mt -72.52 -38.88 60.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 124.469 1.108 . . . . 64.22 109.706 178.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -165.52 -99.37 0.14 Allowed Glycine 0 C--N 1.336 0.577 0 N-CA-C 109.921 -1.272 . . . . 53.12 109.921 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -147.08 136.14 22.41 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 107.74 -1.207 . . . . 74.03 107.74 171.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.402 HG13 ' H ' ' A' ' 98' ' ' PHE . 11.4 p -74.2 163.9 3.8 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.116 0 C-N-CA 123.132 0.573 . . . . 74.31 109.657 171.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 84.0 mt -87.09 40.36 0.91 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.136 0.575 . . . . 64.11 111.591 177.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.402 ' H ' HG13 ' A' ' 96' ' ' VAL . 15.9 m-85 63.53 -80.94 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.592 1.557 . . . . 71.24 110.845 171.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -144.27 115.34 7.9 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 107.569 -1.271 . . . . 74.4 107.569 168.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -170.29 141.4 6.55 Favored Glycine 0 C--O 1.242 0.63 0 N-CA-C 111.136 -0.786 . . . . 72.41 111.136 -176.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -85.61 26.88 0.62 Allowed 'Trans proline' 0 C--N 1.372 1.79 0 C-N-CA 122.831 2.354 . . . . 71.24 112.999 -178.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.2 t -68.06 93.39 0.43 Allowed 'General case' 0 C--N 1.353 0.731 0 C-N-CA 123.483 0.713 . . . . 63.41 110.016 176.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -81.82 78.25 8.56 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 114.743 -1.117 . . . . 73.31 109.804 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 161.2 54.82 0.02 OUTLIER Glycine 0 C--N 1.342 0.863 0 CA-C-N 115.033 -0.985 . . . . 75.11 111.079 -177.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 92.6 mt -77.12 -36.34 55.54 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.289 0.636 . . . . 75.21 110.75 -179.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.487 HG12 ' HB3' ' A' ' 114' ' ' GLU . 37.4 t -114.36 111.51 46.91 Favored Pre-proline 0 CA--C 1.552 1.037 0 N-CA-C 107.96 -1.126 . . . . 61.12 107.96 175.201 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -85.79 178.38 4.33 Favored 'Trans proline' 0 C--N 1.377 2.04 0 C-N-CA 123.14 2.56 . . . . 63.14 113.646 -177.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 67.7 mtt85 -61.67 163.96 6.61 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.851 0.86 . . . . 65.43 112.141 175.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 101.26 31.98 5.4 Favored Glycine 0 C--N 1.342 0.87 0 CA-C-N 115.715 -0.675 . . . . 74.13 111.962 -177.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 77.7 p -161.91 -177.69 5.98 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.857 0.863 . . . . 71.24 109.883 178.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -70.52 -166.32 6.19 Favored Glycine 0 C--N 1.35 1.351 0 O-C-N 123.298 0.374 . . . . 44.14 113.458 174.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -70.65 8.35 4.37 Favored Glycine 0 N--CA 1.476 1.35 0 N-CA-C 116.347 1.299 . . . . 51.2 116.347 -169.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 16.2 tt -67.64 -38.67 80.84 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.052 0 C-N-CA 123.71 0.804 . . . . 74.01 110.512 175.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.487 ' HB3' HG12 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -70.07 -35.29 74.11 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 116.179 -0.464 . . . . 64.52 110.782 177.526 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -64.77 -44.2 95.13 Favored Glycine 0 C--N 1.345 1.029 0 O-C-N 123.995 0.809 . . . . 72.03 111.488 174.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 52.3 ttp -58.53 -50.45 73.74 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.791 0.837 . . . . 73.22 110.725 178.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 28.2 p -66.07 -47.72 73.35 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 123.576 0.548 . . . . 61.41 111.979 -176.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 65.2 p -70.11 -35.54 74.19 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 111.797 0.295 . . . . 74.43 111.797 -176.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 57.1 mtt-85 -63.92 -46.84 82.98 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.521 0.328 . . . . 74.13 110.154 174.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1005 ' ' LEU . . . . . 0.546 ' HA ' ' HB3' ' A' 1008 ' ' TRP . 41.8 mt -73.55 -28.21 61.74 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.625 0.602 . . . . 72.51 112.625 -177.263 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 35.0 p -73.25 -41.73 63.35 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 118.775 0.716 . . . . 74.42 109.733 175.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 56.1 ttt180 -64.88 -33.77 76.81 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.236 0.541 . . . . 75.53 110.154 174.014 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1008 ' ' TRP . . . . . 0.572 ' HH2' HD13 ' A' ' 21' ' ' LEU . 1.3 t-105 -62.96 -50.76 69.5 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.436 1.094 . . . . 75.14 109.982 175.043 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1009 ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' 1005 ' ' LEU . 98.7 mt -63.14 -37.84 88.81 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.272 0.629 . . . . 74.54 111.826 -177.282 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 13.4 t -76.24 -27.04 56.62 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 122.483 -0.136 . . . . 63.44 110.834 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -73.26 -30.58 63.54 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 122.57 0.348 . . . . 62.24 110.668 173.014 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1012 ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' 1008 ' ' TRP . 26.9 mt -68.3 -42.91 78.76 Favored 'General case' 0 C--N 1.356 0.854 0 C-N-CA 123.34 0.656 . . . . 72.43 109.3 174.219 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 29.6 t70 -66.21 -39.88 89.96 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.478 -0.783 . . . . 62.34 111.289 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 46.9 t30 -62.95 -46.12 89.24 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.487 0.715 . . . . 75.4 109.628 178.179 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 56.6 t80 -57.49 -62.5 1.74 Allowed 'General case' 0 C--N 1.357 0.904 0 O-C-N 123.943 0.777 . . . . 72.31 110.407 174.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -44.36 -53.62 6.61 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 126.267 1.827 . . . . 73.33 112.492 -177.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -68.96 -52.63 26.97 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.338 -0.846 . . . . 70.23 111.557 -176.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -63.38 -35.63 81.05 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 121.428 0.632 . . . . 73.14 111.279 -177.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1019 ' ' MET . . . . . 0.635 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.3 OUTLIER -80.77 -24.45 38.63 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.168 -0.469 . . . . 72.34 110.957 -176.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -69.22 -31.92 70.82 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.912 -0.403 . . . . 63.41 109.912 168.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 96.6 mt -71.99 -29.84 64.63 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 118.52 -0.752 . . . . 75.11 112.254 176.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1022 ' ' LEU . . . . . 0.635 ' HG ' ' HA ' ' A' 1019 ' ' MET . 85.7 mt -48.91 109.98 1.36 Allowed Pre-proline 0 N--CA 1.503 2.18 0 O-C-N 123.67 0.606 . . . . 74.22 111.957 174.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -101.22 3.66 0.61 Allowed 'Trans proline' 0 C--N 1.377 2.046 0 C-N-CA 123.366 2.711 . . . . 71.23 113.927 175.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -74.69 -47.73 29.94 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.196 0.599 . . . . 71.43 111.05 -176.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1025 ' ' VAL . . . . . . . . . . . . . 13.1 m . . . . . 0 C--O 1.249 1.074 0 CA-C-N 115.64 -0.709 . . . . 71.12 110.74 177.777 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.483 1.185 0 CA-C-O 119.257 -0.401 . . . . 71.22 111.884 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.4 m -56.83 -53.2 60.54 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.696 0.398 . . . . 72.53 110.836 -177.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 m -51.85 -46.89 64.58 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.003 0.921 . . . . 71.21 111.477 177.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 48.5 m -56.87 -58.92 6.04 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 114.203 -1.362 . . . . 73.24 111.662 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.2 t -62.27 -54.71 30.69 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.799 0 CA-C-N 115.486 -0.779 . . . . 71.21 109.817 -175.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -48.9 -51.38 30.29 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.77 0.828 . . . . 73.53 112.82 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -67.43 -54.01 24.04 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 115.496 -0.775 . . . . 73.31 111.623 -174.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.576 HD11 HG12 ' A' ' 60' ' ' ILE . 95.9 mt -63.84 -39.05 84.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 115.076 -0.965 . . . . 71.14 111.043 -177.432 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.505 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 4.5 m-20 -69.53 -40.02 77.16 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.301 0.64 . . . . 70.51 110.52 -178.158 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.481 ' HD3' ' HA ' ' A' ' 47' ' ' VAL . 70.1 mtt85 -61.37 -54.17 47.21 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 123.538 0.524 . . . . 74.45 110.666 174.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -58.51 -33.11 69.48 Favored 'General case' 0 N--CA 1.484 1.229 0 O-C-N 123.656 0.598 . . . . 62.05 111.977 177.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.414 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 62.8 tt0 -63.07 -46.01 89.47 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.193 0.997 . . . . 71.22 109.905 176.028 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 71.1 mmt-85 -60.51 -46.02 91.67 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 123.727 0.642 . . . . 74.22 109.966 177.412 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 10' ' ' ARG . 64.3 mt -62.68 -39.24 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.038 0.935 . . . . 73.33 111.215 -176.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.47 -43.76 69.11 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 122.851 0.46 . . . . 73.24 111.047 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 96.0 mt -61.11 -45.9 92.8 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.77 0.828 . . . . 72.3 110.133 177.303 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 71.9 mt -65.53 -50.23 65.99 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-N 115.171 -0.922 . . . . 71.22 110.151 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.7 p -64.14 -37.65 88.22 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 112.43 0.53 . . . . 65.2 112.43 -175.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.44 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 2.9 pt20 -71.77 -41.43 68.37 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 123.101 0.25 . . . . 74.11 110.414 178.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.514 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 66.6 m -60.5 -46.11 91.31 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 123.535 0.522 . . . . 72.45 110.305 175.405 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.585 HD13 ' HH2' ' A' 1008 ' ' TRP . 61.8 mt -64.89 -35.26 80.56 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.63 1.172 . . . . 61.02 110.576 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.0 tp -63.59 -42.69 98.25 Favored 'General case' 0 C--N 1.347 0.495 0 N-CA-C 109.577 -0.527 . . . . 75.14 109.577 177.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.46 ' O ' ' HD3' ' A' ' 27' ' ' ARG . 6.0 mm-40 -61.8 -45.59 93.19 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 123.498 0.499 . . . . 71.35 110.945 176.06 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 20' ' ' SER . 60.6 mt -61.7 -42.25 98.69 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.798 0.839 . . . . 62.34 111.125 -179.155 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.455 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -71.59 -41.55 68.82 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.333 0.653 . . . . 72.43 111.71 -177.148 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -67.43 -35.05 78.47 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.497 -0.774 . . . . 73.23 111.338 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.46 ' HD3' ' O ' ' A' ' 23' ' ' GLU . 6.7 mpt_? -88.22 -21.56 24.46 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 122.638 0.375 . . . . 60.53 111.423 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.33 20.17 18.63 Favored Glycine 0 C--N 1.35 1.312 0 N-CA-C 115.553 0.981 . . . . 74.32 115.553 177.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -79.39 74.82 6.0 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-N 117.832 0.816 . . . . 64.13 109.808 166.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.403 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 33.5 m95 -68.47 -30.24 69.06 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.646 0.779 . . . . 75.4 109.849 178.561 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -59.69 -49.9 75.95 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 114.095 -1.411 . . . . 71.14 110.344 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.7 mt -75.37 -19.23 59.69 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 115.043 -0.981 . . . . 73.04 110.954 -177.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.74 -50.1 68.2 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 109.476 -0.564 . . . . 71.55 109.476 167.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 30' ' ' TRP . 73.4 mt -68.39 -23.01 64.6 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 123.897 0.748 . . . . 73.41 111.741 -179.303 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -72.82 -59.06 2.89 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.48 0.712 . . . . 74.54 110.5 175.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -75.93 -11.16 59.91 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.0 0.52 . . . . 63.33 112.009 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.404 ' HG3' ' CE3' ' A' 1008 ' ' TRP . 35.5 tt0 -45.43 -59.58 2.62 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.166 1.387 . . . . 64.14 112.67 178.323 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.5 m -60.72 -33.93 56.94 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 O-C-N 123.999 0.812 . . . . 53.35 111.669 -176.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.9 m -69.66 -39.52 76.99 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.946 0.899 . . . . 73.45 110.779 178.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -71.69 -44.6 63.94 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.516 -0.765 . . . . 71.35 110.448 -177.11 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 67.3 mt -71.26 -29.36 65.0 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.267 0.627 . . . . 73.12 110.696 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -66.75 -50.04 64.0 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 116.239 -0.437 . . . . 73.22 110.748 173.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.488 ' HA ' HG22 ' A' ' 46' ' ' THR . 66.2 p -64.21 -36.94 85.71 Favored 'General case' 0 CA--C 1.551 0.995 0 O-C-N 123.84 0.713 . . . . 55.52 110.751 -177.627 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.2 mt -57.58 -53.28 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 124.602 1.161 . . . . 72.43 110.858 171.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -63.93 -43.99 94.22 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.862 -0.608 . . . . 73.03 111.147 -174.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.488 HG22 ' HA ' ' A' ' 43' ' ' SER . 14.2 t -73.54 -29.75 62.65 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.334 0.653 . . . . 60.21 110.929 -175.625 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.481 ' HA ' ' HD3' ' A' ' 10' ' ' ARG . 2.3 p -78.45 -33.1 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 CA-C-N 118.122 0.419 . . . . 71.02 111.208 177.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 34.5 ttm -74.04 -29.49 61.94 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 109.191 -0.67 . . . . 73.32 109.191 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -70.82 -34.76 72.05 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 115.709 -0.678 . . . . 72.21 110.385 167.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.423 ' HG3' ' HD2' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -71.73 89.77 1.04 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.273 0.629 . . . . 64.34 109.779 -179.168 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -96.33 110.26 22.62 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 108.801 -0.814 . . . . 60.31 108.801 175.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 p -76.3 152.78 83.99 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 122.964 0.506 . . . . 72.41 111.745 178.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -58.08 158.1 22.83 Favored 'Trans proline' 0 C--N 1.378 2.089 0 C-N-CA 123.216 2.611 . . . . 70.4 112.478 171.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -49.04 -47.23 22.4 Favored 'Trans proline' 0 C--N 1.387 2.557 0 C-N-CA 123.82 3.014 . . . . 75.12 113.17 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.5 88.8 0.07 OUTLIER Glycine 0 C--N 1.348 1.203 0 O-C-N 123.941 0.775 . . . . 71.54 113.673 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.424 HD12 HG21 ' A' ' 60' ' ' ILE . 16.1 mm -115.65 114.91 47.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.575 1.15 . . . . 61.32 108.783 173.297 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.9 t -72.25 158.91 34.97 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-N 114.5 -1.227 . . . . 45.02 110.825 176.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.1 mtp-105 -66.51 -21.46 66.17 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 112.657 0.614 . . . . 55.43 112.657 -172.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 64.5 p -67.45 -51.29 53.29 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 122.751 0.421 . . . . 71.31 109.949 177.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.576 HG12 HD11 ' A' ' 8' ' ' ILE . 57.0 mt -58.23 -51.23 73.72 Favored 'Isoleucine or valine' 0 C--N 1.362 1.115 0 O-C-N 123.865 0.728 . . . . 73.43 109.308 174.58 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -55.61 -41.33 73.31 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 124.302 1.002 . . . . 52.04 111.529 -176.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -73.39 -50.94 19.22 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.288 0.635 . . . . 64.34 111.52 -176.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 73.5 mtm -62.92 -45.81 90.75 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.559 0.343 . . . . 72.13 110.681 -178.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.0 t -62.81 -45.58 98.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 123.876 0.87 . . . . 73.44 111.036 177.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.26 -24.61 67.36 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-N 117.893 0.315 . . . . 55.45 111.245 177.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.59 -44.3 50.01 Favored Glycine 0 C--N 1.348 1.244 0 N-CA-C 111.308 -0.717 . . . . 63.14 111.308 173.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -69.05 -33.48 73.66 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.288 0.635 . . . . 73.12 111.042 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 22.3 mt -68.95 -47.77 73.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 124.681 1.193 . . . . 75.35 109.562 178.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -66.23 -40.28 90.16 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.035 -0.53 . . . . 75.23 109.952 -178.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -60.81 -53.51 56.42 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 124.449 1.093 . . . . 74.45 109.416 177.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.454 ' OG1' HG22 ' A' ' 14' ' ' ILE . 5.3 t -71.52 -33.66 69.4 Favored 'General case' 0 C--O 1.207 -1.161 0 CA-C-O 118.761 -0.637 . . . . 75.22 112.336 -172.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.441 HD21 ' SD ' ' A' 1019 ' ' MET . 34.0 mt -72.05 -39.4 69.09 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 118.291 0.496 . . . . 75.53 110.836 178.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -68.34 -46.06 71.2 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-O 121.498 0.666 . . . . 64.14 110.472 179.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.436 HD22 ' N ' ' A' ' 74' ' ' ASN . 0.8 OUTLIER -72.14 -38.01 69.3 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 114.843 -1.071 . . . . 73.01 110.607 -176.613 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.435 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 34.9 tt0 -71.66 -31.82 67.23 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 123.798 0.686 . . . . 51.52 110.332 175.31 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -58.17 -53.99 52.02 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 109.073 -0.714 . . . . 71.23 109.073 174.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.8 mt -60.46 -40.74 92.28 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.594 -1.185 . . . . 74.03 111.151 177.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.435 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 21.2 mt -56.1 -60.43 3.49 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.757 0.823 . . . . 65.01 111.554 174.443 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -70.49 -28.31 64.88 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.56 0.744 . . . . 74.21 111.597 -168.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.78 -47.64 19.54 Favored Glycine 0 C--N 1.349 1.282 0 O-C-N 123.578 0.549 . . . . 71.54 111.941 174.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.455 HD22 ' HB1' ' A' ' 25' ' ' ALA . 7.2 tt -58.27 -47.7 82.79 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.828 0.851 . . . . 72.41 110.283 176.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.469 HD13 ' HE1' ' A' 1008 ' ' TRP . 41.5 mt -72.25 -31.87 66.18 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.826 1.25 . . . . 74.11 111.489 -176.716 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -61.15 -53.73 53.33 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 109.867 -0.42 . . . . 63.13 109.867 173.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.404 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 60.9 tt0 -68.98 -32.48 72.08 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.217 -0.901 . . . . 71.15 111.144 -178.263 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.42 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 27.4 tpt180 -70.23 -47.08 63.0 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.713 0.405 . . . . 75.1 109.933 -179.251 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.538 HD11 ' HB3' ' A' 1005 ' ' LEU . 83.6 mt -63.54 -32.0 73.34 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 123.461 0.476 . . . . 71.22 110.663 175.468 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -62.23 -44.18 97.16 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.199 0.6 . . . . 71.3 110.352 174.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.538 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 46.3 mt-10 -60.27 -55.97 27.27 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.563 0.745 . . . . 72.52 110.204 175.579 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.504 HD12 HD23 ' A' ' 86' ' ' LEU . 74.0 mt -54.42 -44.01 72.04 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.686 1.195 . . . . 64.41 111.141 -178.66 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 70.4 m -68.23 -31.63 71.27 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.554 0.742 . . . . 65.42 111.595 179.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.1 t -72.17 -27.52 62.63 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 123.306 0.643 . . . . 61.02 110.602 173.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 44.0 mt -80.25 -38.72 30.39 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.14 0.576 . . . . 73.24 110.506 177.577 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 94.9 mt -71.53 -47.62 57.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 124.506 1.122 . . . . 73.2 109.573 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 158.99 -79.57 0.17 Allowed Glycine 0 C--N 1.338 0.642 0 CA-C-N 115.479 -0.782 . . . . 73.41 111.176 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -160.46 143.29 13.26 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.443 0.697 . . . . 74.5 110.498 -176.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.2 m -136.7 163.69 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 C-N-CA 124.18 0.992 . . . . 73.34 109.413 171.186 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 60.9 mt -138.32 127.37 24.11 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 108.832 -0.803 . . . . 73.54 108.832 169.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -66.99 -27.46 67.46 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.97 0.908 . . . . 64.15 111.118 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -97.68 132.2 43.54 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 108.409 -0.96 . . . . 75.33 108.409 168.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 76.12 84.17 0.43 Allowed Glycine 0 CA--C 1.532 1.135 0 CA-C-O 119.856 -0.413 . . . . 73.33 112.251 -177.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -71.67 -0.85 8.94 Favored 'Trans proline' 0 CA--C 1.56 1.785 0 C-N-CA 122.844 2.363 . . . . 61.4 113.965 177.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.5 t -74.64 -48.28 27.25 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.285 0.634 . . . . 75.41 110.387 178.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -107.69 70.81 0.79 Allowed 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 121.728 0.775 . . . . 73.43 109.672 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 145.29 -175.92 24.59 Favored Glycine 0 C--N 1.337 0.616 0 CA-C-N 114.704 -1.134 . . . . 54.3 111.834 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.483 HD22 HG21 ' A' 1006 ' ' THR . 85.2 mt 60.95 40.71 15.12 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.451 1.1 . . . . 74.32 111.09 178.368 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 58.9 t 61.34 70.48 0.9 Allowed Pre-proline 0 CA--C 1.562 1.422 0 C-N-CA 124.861 1.264 . . . . 70.34 111.344 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -86.46 107.89 0.83 Allowed 'Trans proline' 0 C--N 1.378 2.116 0 C-N-CA 122.884 2.389 . . . . 70.02 111.344 177.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 61.17 25.93 15.88 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.207 1.003 . . . . 63.12 111.624 -175.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -81.18 -159.31 22.53 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-N 115.984 -0.553 . . . . 24.51 112.779 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.43 ' HB3' HG12 ' A' ' 113' ' ' ILE . 32.8 t -67.25 137.53 56.22 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.018 0.527 . . . . 54.43 110.684 -177.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -65.28 -26.72 71.78 Favored Glycine 0 C--N 1.347 1.188 0 CA-C-N 115.779 -0.646 . . . . 32.32 114.192 -173.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -71.36 -52.83 11.6 Favored Glycine 0 C--N 1.348 1.245 0 CA-C-N 116.747 0.274 . . . . 71.23 112.491 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.43 HG12 ' HB3' ' A' ' 110' ' ' SER . 26.0 pt -68.6 -23.62 28.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 123.366 0.666 . . . . 63.24 111.82 -179.467 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -49.69 -51.81 35.67 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.966 0.907 . . . . 74.42 111.079 175.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -59.44 -55.5 30.28 Favored Glycine 0 C--N 1.355 1.639 0 CA-C-N 114.875 -1.057 . . . . 52.3 112.329 178.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 50.1 ttp -56.04 -48.91 75.11 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.857 0.863 . . . . 72.44 112.318 -177.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 33.7 p -71.53 -48.21 50.17 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 118.898 -0.572 . . . . 62.51 111.51 -174.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 5.4 t -63.22 -43.14 98.95 Favored 'General case' 0 C--N 1.359 1.014 0 CA-C-N 118.248 0.476 . . . . 75.24 110.047 -177.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 71.3 mtt-85 -60.82 -57.02 14.42 Favored 'General case' 0 C--N 1.357 0.899 0 CA-C-N 115.567 -0.742 . . . . 71.1 110.376 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1005 ' ' LEU . . . . . 0.6 ' HA ' ' HB3' ' A' 1008 ' ' TRP . 72.4 mt -67.27 -26.12 66.4 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.062 0.764 . . . . 62.25 113.062 -174.39 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1006 ' ' THR . . . . . 0.483 HG21 HD22 ' A' ' 105' ' ' LEU . 42.2 p -71.63 -48.95 44.47 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 118.951 0.796 . . . . 72.22 110.103 174.588 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 34.8 mtt180 -61.5 -31.73 71.72 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-O 121.179 0.514 . . . . 65.32 110.373 175.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1008 ' ' TRP . . . . . 0.6 ' HB3' ' HA ' ' A' 1005 ' ' LEU . 4.1 t-105 -70.32 -45.81 65.47 Favored 'General case' 0 C--O 1.218 -0.597 0 C-N-CA 125.235 1.414 . . . . 73.11 111.055 -178.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1009 ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' 1005 ' ' LEU . 71.5 mt -71.05 -34.5 71.29 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 109.062 -0.718 . . . . 64.32 109.062 -177.458 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 84.5 m -59.62 -44.23 93.53 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 114.837 -1.074 . . . . 63.3 110.469 169.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -71.77 -28.95 63.97 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.701 0.8 . . . . 42.03 111.858 -178.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1012 ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' 1008 ' ' TRP . 22.8 mt -73.14 -41.09 64.34 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 109.267 -0.642 . . . . 73.4 109.267 178.418 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 29.2 t70 -73.98 -31.72 63.11 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 115.543 -0.753 . . . . 72.12 110.391 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 54.8 t30 -65.14 -46.42 81.02 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.021 0.928 . . . . 63.3 109.557 175.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 47.5 t80 -57.6 -62.02 2.09 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 114.699 -1.137 . . . . 74.34 110.188 174.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -49.62 -42.98 46.32 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 124.682 1.239 . . . . 75.02 111.847 -178.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -64.61 -63.4 1.14 Allowed 'General case' 0 C--N 1.348 0.528 0 O-C-N 123.816 0.697 . . . . 73.13 111.285 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 14.6 mptt -61.91 -34.03 75.32 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.579 0.352 . . . . 74.45 111.575 -176.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1019 ' ' MET . . . . . 0.625 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.1 OUTLIER -78.83 -32.25 46.1 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.486 -0.324 . . . . 75.33 110.528 -173.508 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -70.76 -31.1 67.78 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 120.842 0.354 . . . . 74.11 110.521 170.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 95.5 mt -82.6 -14.4 54.86 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-O 118.279 -0.867 . . . . 74.32 112.169 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1022 ' ' LEU . . . . . 0.625 ' HG ' ' HA ' ' A' 1019 ' ' MET . 45.4 mt -44.27 109.22 0.81 Allowed Pre-proline 0 N--CA 1.502 2.144 0 C-N-CA 123.57 0.748 . . . . 75.21 111.711 176.043 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.13 -15.72 22.93 Favored 'Trans proline' 0 C--N 1.375 1.924 0 C-N-CA 122.272 1.981 . . . . 72.25 112.108 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -71.73 -78.84 0.08 Allowed 'General case' 0 C--N 1.351 0.644 0 C-N-CA 123.659 0.783 . . . . 55.03 110.022 175.228 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1025 ' ' VAL . . . . . . . . . . . . . 49.8 t . . . . . 0 C--O 1.248 1.017 0 N-CA-C 107.458 -1.312 . . . . 54.42 107.458 -179.835 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 ppp? . . . . . 0 N--CA 1.482 1.147 0 N-CA-C 111.866 0.321 . . . . 63.52 111.866 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 t -63.51 -49.95 71.53 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 122.498 0.319 . . . . 72.35 110.72 -178.193 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.8 m -61.71 -35.1 77.08 Favored 'General case' 0 C--N 1.349 0.572 0 C-N-CA 123.267 0.627 . . . . 64.42 110.751 -178.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.9 m -61.82 -58.92 6.11 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.407 1.083 . . . . 43.04 111.57 176.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.7 p -64.33 -37.96 81.31 Favored 'Isoleucine or valine' 0 C--N 1.358 0.962 0 O-C-N 123.273 0.358 . . . . 75.24 110.78 -174.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -61.96 -59.25 5.39 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 109.431 -0.581 . . . . 74.31 109.431 177.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -48.62 -49.55 36.59 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.889 1.275 . . . . 74.34 111.724 -176.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.543 HD11 HG12 ' A' ' 60' ' ' ILE . 75.7 mt -69.46 -42.61 80.98 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.974 0 CA-C-N 115.341 -0.845 . . . . 73.51 111.45 -177.628 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -72.62 -24.93 61.13 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 122.772 0.429 . . . . 73.1 111.732 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.468 HH11 ' HB2' ' A' ' 50' ' ' LYS . 77.9 mtt180 -77.36 -49.7 14.36 Favored 'General case' 0 C--O 1.219 -0.512 0 N-CA-C 108.657 -0.868 . . . . 74.14 108.657 178.568 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 53.8 m95 -58.32 -38.28 76.8 Favored 'General case' 0 N--CA 1.485 1.29 0 O-C-N 123.522 0.514 . . . . 73.51 110.99 173.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.414 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 62.8 tt0 -61.0 -50.58 72.82 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 123.987 0.805 . . . . 74.21 109.929 176.075 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -57.36 -44.15 84.1 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 124.466 1.104 . . . . 73.13 111.22 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 84.3 mt -69.13 -36.73 74.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.338 1.055 . . . . 73.03 110.647 -178.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.1 -43.92 90.53 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.026 0.53 . . . . 43.34 110.465 177.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 95.8 mt -63.92 -47.51 80.24 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 124.513 1.125 . . . . 72.45 110.351 178.253 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.5 mt -63.25 -42.79 99.21 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.702 0.801 . . . . 71.15 110.645 178.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.7 t -66.38 -45.85 78.65 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.226 0.611 . . . . 65.44 110.787 -174.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -70.81 -35.24 72.42 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 123.456 0.472 . . . . 73.23 110.825 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.2 m -62.4 -54.81 34.79 Favored 'General case' 0 C--N 1.36 1.033 0 O-C-N 123.365 0.416 . . . . 73.13 110.045 176.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.675 HD21 ' HB2' ' A' ' 36' ' ' GLN . 93.6 mt -59.28 -32.22 69.82 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.718 1.207 . . . . 73.4 111.225 179.441 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.55 HD22 ' HA ' ' A' ' 74' ' ' ASN . 57.6 tp -66.3 -52.19 49.86 Favored 'General case' 0 C--N 1.35 0.587 0 C-N-CA 123.054 0.541 . . . . 51.43 111.109 176.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.507 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 32.6 mt-10 -55.61 -48.77 74.35 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 124.265 0.978 . . . . 72.12 109.751 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.553 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 93.4 mt -63.69 -35.91 82.11 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 114.275 -1.33 . . . . 72.35 111.402 -178.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.559 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -63.91 -43.28 96.44 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.113 0.565 . . . . 73.23 110.551 175.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -70.79 -22.38 62.37 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 114.961 -1.018 . . . . 74.13 111.739 176.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 29.3 mmt180 -84.54 -25.87 28.45 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.898 0.479 . . . . 74.03 111.004 174.294 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.21 18.44 36.51 Favored Glycine 0 C--N 1.351 1.416 0 N-CA-C 113.891 0.316 . . . . 72.25 113.891 -175.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.553 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 20.3 mm-40 -82.04 67.7 8.15 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.434 1.094 . . . . 72.3 110.779 177.206 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.4 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 40.8 m95 -66.33 -33.42 75.69 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.352 0.661 . . . . 73.45 111.701 -172.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -64.62 -40.53 95.64 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.55 0.74 . . . . 72.25 111.033 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.404 HD12 HD22 ' A' ' 24' ' ' LEU . 62.9 mt -67.57 -33.02 74.18 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 122.607 0.363 . . . . 63.11 110.549 178.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.642 ' HA ' HD22 ' A' ' 21' ' ' LEU . 11.2 mp -61.9 -48.8 78.83 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.926 0.49 . . . . 42.42 111.129 169.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.401 HD13 HH11 ' A' 1004 ' ' ARG . 93.9 mt -67.39 -26.49 66.48 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.481 0.712 . . . . 63.25 112.037 -178.079 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -76.09 -58.12 3.47 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.682 0.793 . . . . 72.43 110.416 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.675 ' HB2' HD21 ' A' ' 21' ' ' LEU . 69.7 mt-30 -76.06 -10.0 59.06 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.419 1.088 . . . . 75.01 111.907 -178.362 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.413 ' HG3' ' CE3' ' A' 1008 ' ' TRP . 35.2 tt0 -44.92 -54.56 6.35 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.848 1.259 . . . . 71.34 111.779 171.434 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.2 p -57.84 -47.31 86.48 Favored 'Isoleucine or valine' 0 C--N 1.355 0.845 0 O-C-N 123.855 0.722 . . . . 70.25 110.761 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.8 m -61.8 -40.13 94.17 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.408 0.683 . . . . 72.35 111.508 -177.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -70.8 -49.2 49.02 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.132 0.973 . . . . 72.53 110.902 -176.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.2 mt -69.9 -33.98 72.91 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.014 0.525 . . . . 75.12 111.334 -176.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -72.3 -40.83 67.24 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 119.102 -0.475 . . . . 73.32 110.913 177.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 77.7 p -66.98 -35.75 80.66 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 122.595 0.358 . . . . 60.55 111.096 177.045 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.6 mt -57.8 -51.97 63.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 124.829 1.252 . . . . 73.44 110.518 171.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -63.88 -35.71 81.54 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 114.547 -1.206 . . . . 73.03 109.531 -177.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.99 -40.84 68.28 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.967 1.707 . . . . 71.43 112.453 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.3 p -75.46 -33.58 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 O-C-N 122.019 -0.426 . . . . 65.55 109.858 -177.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 35.4 ttm -73.96 -33.21 63.8 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.721 -0.672 . . . . 43.42 109.263 178.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -68.01 -29.36 68.34 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.701 0.8 . . . . 71.02 111.194 171.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.468 ' HB2' HH11 ' A' ' 10' ' ' ARG . 0.2 OUTLIER -67.5 106.85 2.27 Favored 'General case' 0 C--N 1.356 0.882 0 C-N-CA 122.796 0.438 . . . . 72.25 110.514 179.564 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -94.27 105.01 17.0 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.53 -0.759 . . . . 61.52 109.848 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 24.6 p -95.68 152.34 39.07 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 124.072 0.949 . . . . 71.35 109.947 171.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_exo -61.76 155.18 55.75 Favored 'Trans proline' 0 C--N 1.379 2.166 0 C-N-CA 122.471 2.114 . . . . 73.51 112.346 176.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -52.75 -45.37 40.99 Favored 'Trans proline' 0 C--N 1.381 2.285 0 C-N-CA 123.712 2.941 . . . . 64.21 113.459 178.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -67.72 80.91 0.17 Allowed Glycine 0 C--N 1.346 1.118 0 O-C-N 123.907 0.754 . . . . 74.55 114.04 -178.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.54 HD12 HG21 ' A' ' 60' ' ' ILE . 23.0 mm -90.44 135.68 25.88 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 C-N-CA 124.211 1.004 . . . . 73.31 109.433 176.183 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.8 t -105.26 -179.84 4.06 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.187 0.995 . . . . 74.14 111.172 -169.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -42.89 -63.68 0.75 Allowed 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.941 1.696 . . . . 72.51 113.322 -173.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.3 m -64.74 -45.64 85.62 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 124.034 0.834 . . . . 74.24 111.742 -172.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.543 HG12 HD11 ' A' ' 8' ' ' ILE . 36.5 mt -60.77 -51.82 68.77 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 O-C-N 123.554 0.533 . . . . 65.52 109.925 -177.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -57.54 -49.69 75.54 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.513 0.725 . . . . 74.43 111.116 -178.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -64.95 -54.3 32.81 Favored 'General case' 0 C--O 1.248 0.981 0 O-C-N 123.879 0.737 . . . . 72.44 111.866 -174.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 73.9 mtm -61.85 -52.08 65.6 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.149 0.58 . . . . 73.04 111.064 -177.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.3 t -59.39 -44.92 93.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 123.333 0.653 . . . . 71.42 111.159 -179.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.47 -35.98 79.16 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 123.344 0.402 . . . . 64.34 111.253 178.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.71 -44.06 98.06 Favored Glycine 0 C--N 1.355 1.627 0 O-C-N 123.363 0.415 . . . . 74.53 112.301 173.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -70.12 -25.97 63.74 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.592 0.757 . . . . 54.12 111.375 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.497 HG12 ' HE1' ' A' 1019 ' ' MET . 30.6 mt -71.86 -45.69 63.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.389 1.076 . . . . 75.04 109.856 176.309 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -59.05 -42.43 90.3 Favored 'General case' 0 C--O 1.244 0.813 0 O-C-N 123.691 0.619 . . . . 73.22 110.078 175.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -59.17 -62.44 1.88 Allowed 'General case' 0 C--N 1.352 0.706 0 O-C-N 124.293 0.996 . . . . 61.11 110.489 176.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.8 t -63.67 -37.24 86.6 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 112.206 0.447 . . . . 51.32 112.206 -169.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.448 HD21 ' SD ' ' A' 1019 ' ' MET . 66.9 mt -75.75 -40.48 55.31 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 112.968 0.729 . . . . 74.02 112.968 -178.546 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -73.78 -40.89 63.11 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-N 118.511 0.596 . . . . 70.11 110.931 178.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.55 ' HA ' HD22 ' A' ' 22' ' ' LEU . 13.3 m120 -64.32 -37.77 88.67 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.207 0.603 . . . . 73.11 110.239 177.051 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.498 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 16.3 tt0 -72.3 -35.71 68.75 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 123.423 0.452 . . . . 64.03 111.144 175.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -57.64 -48.24 80.0 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 121.637 0.732 . . . . 74.32 109.459 177.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.8 mt -70.74 -38.81 73.56 Favored 'General case' 0 CA--C 1.554 1.121 0 CA-C-N 114.134 -1.393 . . . . 74.41 111.372 178.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.498 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 5.0 mt -57.56 -61.59 2.4 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 124.083 0.953 . . . . 62.5 110.395 176.117 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.443 ' HG3' HD22 ' A' 1009 ' ' LEU . 33.9 ttpt -63.95 -35.64 81.33 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.803 1.641 . . . . 53.25 111.582 -174.515 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.73 -51.54 52.99 Favored Glycine 0 C--N 1.351 1.394 0 O-C-N 123.409 0.443 . . . . 73.03 112.129 173.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.559 HD22 ' HB1' ' A' ' 25' ' ' ALA . 9.7 tt -62.86 -42.38 99.73 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.217 1.007 . . . . 70.23 111.08 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.434 HD13 ' HE1' ' A' 1008 ' ' TRP . 23.2 mt -74.06 -36.8 64.38 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.928 0.891 . . . . 73.21 111.302 -174.329 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.3 tm0? -61.62 -45.08 95.59 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 123.695 0.622 . . . . 63.54 109.524 172.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -61.09 -39.71 90.99 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.144 -0.935 . . . . 63.11 110.756 176.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -73.42 -35.78 65.87 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.501 0.72 . . . . 65.24 112.208 -177.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.1 mt -72.92 -36.07 67.17 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 110.082 -0.34 . . . . 64.4 110.082 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -66.86 -38.85 87.16 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 123.724 0.64 . . . . 54.04 110.658 173.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.532 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 43.1 tt0 -64.09 -47.94 78.09 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.592 0.757 . . . . 65.31 110.277 176.264 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 68.9 mt -56.63 -40.94 76.27 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.2 1.0 . . . . 74.31 110.817 177.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 70.8 m -61.4 -42.1 98.19 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.528 0.731 . . . . 64.44 111.23 176.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.5 m -66.1 -31.95 73.12 Favored 'General case' 0 CA--C 1.552 1.038 0 CA-C-N 115.916 -0.584 . . . . 75.14 111.727 177.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 35.5 mt -71.86 -39.84 69.41 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.421 0.688 . . . . 71.43 110.199 178.288 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.413 HD11 HD11 ' A' ' 113' ' ' ILE . 90.4 mt -62.73 -32.67 56.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 C-N-CA 124.611 1.164 . . . . 54.21 109.908 171.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 91.11 26.49 21.46 Favored Glycine 0 C--N 1.341 0.824 0 CA-C-N 115.024 -0.989 . . . . 21.35 112.619 176.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -138.46 161.94 35.73 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.151 0.98 . . . . 63.04 109.996 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 81.8 t -104.16 137.28 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 124.316 1.046 . . . . 73.42 110.062 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.623 ' HA ' ' HG ' ' A' ' 105' ' ' LEU . 50.2 tp -59.23 -46.58 88.08 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.76 0.824 . . . . 74.0 111.803 -177.243 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -98.91 100.91 12.15 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.669 0.747 . . . . 73.52 110.511 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.05 1.83 6.52 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.094 1.358 . . . . 71.14 109.57 176.435 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -162.29 155.16 26.36 Favored Glycine 0 C--N 1.342 0.909 0 N-CA-C 110.302 -1.119 . . . . 52.12 110.302 176.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -63.79 -28.17 67.99 Favored 'Trans proline' 0 C--N 1.375 1.952 0 C-N-CA 122.666 2.244 . . . . 74.42 112.555 -175.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 40.2 t -132.58 83.95 2.11 Favored 'General case' 0 C--O 1.242 0.697 0 N-CA-C 108.879 -0.786 . . . . 51.22 108.879 170.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -168.74 154.43 6.52 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.573 0.749 . . . . 74.51 111.007 178.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -137.9 -147.42 5.21 Favored Glycine 0 C--N 1.351 1.376 0 CA-C-N 115.992 -0.549 . . . . 61.24 112.141 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.623 ' HG ' ' HA ' ' A' ' 97' ' ' LEU . 55.3 mt -126.38 156.34 40.69 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.395 0.678 . . . . 75.32 111.084 178.583 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 27.7 m 34.32 58.9 2.12 Favored Pre-proline 0 CA--C 1.564 1.509 0 C-N-CA 127.098 2.159 . . . . 63.13 114.966 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -83.7 0.17 9.48 Favored 'Trans proline' 0 C--N 1.377 2.052 0 C-N-CA 122.486 2.124 . . . . 71.24 111.811 -178.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 -155.29 37.1 0.38 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.488 1.515 . . . . 63.42 108.804 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -75.06 -150.98 2.58 Favored Glycine 0 C--N 1.351 1.401 0 CA-C-N 115.275 -0.875 . . . . 44.53 113.884 -179.002 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 44.8 p -96.66 79.45 3.0 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 122.831 0.452 . . . . 64.13 111.807 -177.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 60.96 -91.57 0.06 OUTLIER Glycine 0 C--N 1.351 1.412 0 N-CA-C 115.46 0.944 . . . . 64.31 115.46 167.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -68.04 -22.89 74.42 Favored Glycine 0 C--N 1.352 1.448 0 N-CA-C 114.506 0.562 . . . . 72.5 114.506 -171.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.413 HD11 HD11 ' A' ' 93' ' ' ILE . 15.6 tt -71.98 -35.52 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 CA-C-N 117.017 0.409 . . . . 65.11 110.001 176.066 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -64.65 -43.75 92.63 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 123.445 0.698 . . . . 65.1 109.123 176.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -56.5 -58.33 14.9 Favored Glycine 0 C--N 1.352 1.472 0 O-C-N 124.235 0.96 . . . . 43.2 111.797 174.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 50.5 ttp -52.94 -52.42 58.01 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.462 1.105 . . . . 64.21 112.343 -178.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 36.1 p -67.47 -55.14 14.8 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.056 0.542 . . . . 72.45 111.642 -175.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 33.0 m -60.4 -44.85 95.29 Favored 'General case' 0 CA--C 1.549 0.94 0 O-C-N 123.462 0.476 . . . . 73.21 110.932 -175.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1004 ' ' ARG . . . . . 0.401 HH11 HD13 ' A' ' 34' ' ' LEU . 56.8 mtt85 -57.77 -61.65 2.37 Favored 'General case' 0 C--N 1.354 0.785 0 O-C-N 124.102 0.876 . . . . 44.51 110.415 177.192 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1005 ' ' LEU . . . . . 0.541 ' O ' ' HG ' ' A' 1009 ' ' LEU . 63.5 mt -61.4 -36.91 81.62 Favored 'General case' 0 C--N 1.362 1.126 0 O-C-N 124.015 0.822 . . . . 62.21 112.761 -173.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 44.4 p -66.02 -49.87 66.2 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 118.231 0.469 . . . . 73.11 110.88 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 74.7 mtp85 -67.1 -25.45 66.22 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-O 120.8 0.333 . . . . 72.01 111.079 177.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1008 ' ' TRP . . . . . 0.507 ' O ' ' HG ' ' A' 1012 ' ' LEU . 0.1 OUTLIER -71.31 -42.6 68.43 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.619 1.167 . . . . 73.42 109.673 176.639 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1009 ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' 1005 ' ' LEU . 89.4 mt -69.43 -33.06 72.4 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.765 -0.828 . . . . 60.52 108.765 -178.64 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 71.5 m -63.63 -44.48 93.77 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 114.735 -1.121 . . . . 73.31 111.288 173.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -70.32 -24.74 63.06 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.365 0.666 . . . . 63.42 111.284 176.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1012 ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' 1008 ' ' TRP . 31.6 mt -71.88 -45.65 60.58 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 123.172 0.589 . . . . 72.42 110.154 175.471 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -64.55 -36.35 83.92 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.147 0.579 . . . . 60.55 111.04 176.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 6.1 t30 -57.66 -54.15 50.18 Favored 'General case' 0 C--O 1.246 0.906 0 C-N-CA 124.55 1.14 . . . . 71.34 110.272 174.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 41.1 t80 -60.56 -61.92 2.24 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 114.559 -1.201 . . . . 64.13 110.55 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -43.22 -51.69 5.99 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 124.851 1.344 . . . . 65.14 112.128 178.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1017 ' ' ALA . . . . . 0.42 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -59.96 -61.81 2.33 Favored 'General case' 0 C--N 1.352 0.675 0 O-C-N 124.052 0.845 . . . . 73.12 111.284 -178.358 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -64.87 -35.37 80.9 Favored 'General case' 0 C--O 1.247 0.967 0 O-C-N 123.541 0.526 . . . . 73.04 112.299 -172.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1019 ' ' MET . . . . . 0.557 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.2 OUTLIER -81.48 -26.28 35.35 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 116.528 -0.305 . . . . 63.5 111.264 -175.08 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -77.06 -25.39 52.34 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 110.135 -0.32 . . . . 64.54 110.135 171.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1021 ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' 1017 ' ' ALA . 76.2 mt -83.06 -12.02 57.51 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 115.902 -0.59 . . . . 74.44 111.952 175.094 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1022 ' ' LEU . . . . . 0.557 ' HG ' ' HA ' ' A' 1019 ' ' MET . 93.7 mt -56.49 113.18 5.47 Favored Pre-proline 0 N--CA 1.492 1.674 0 CA-C-O 119.291 -0.385 . . . . 74.32 110.326 163.011 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -89.78 -6.54 4.93 Favored 'Trans proline' 0 C--N 1.375 1.937 0 C-N-CA 122.454 2.103 . . . . 72.45 113.037 175.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -70.56 -50.42 37.59 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.037 0.935 . . . . 62.53 110.545 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1025 ' ' VAL . . . . . . . . . . . . . 5.2 m . . . . . 0 C--O 1.249 1.077 0 CA-C-N 114.488 -1.233 . . . . 75.32 109.934 -174.583 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ptt? . . . . . 0 N--CA 1.479 0.991 0 CA-C-O 119.708 -0.187 . . . . 75.23 111.128 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.416 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 15.3 t -61.12 -37.85 84.25 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 122.955 0.502 . . . . 62.12 112.102 -172.446 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.5 m -65.58 -38.62 90.03 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.597 0.759 . . . . 73.53 110.648 178.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 52.2 m -64.45 -44.37 91.32 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 124.575 1.15 . . . . 55.11 111.107 175.281 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 89.6 t -65.91 -44.73 92.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 122.737 0.415 . . . . 51.35 110.085 -178.159 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 2' ' ' THR . 30.5 mm-40 -58.28 -49.79 75.91 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 123.303 0.377 . . . . 74.0 110.177 175.248 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -54.21 -59.16 5.04 Favored 'General case' 0 CA--C 1.557 1.237 0 C-N-CA 124.389 1.076 . . . . 74.22 111.495 -177.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 71.9 mt -63.24 -42.32 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 124.362 1.065 . . . . 51.43 111.44 -176.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -73.79 -29.39 62.16 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 122.94 0.496 . . . . 75.33 111.907 -175.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.5 ' O ' HG13 ' A' ' 14' ' ' ILE . 85.8 mtt180 -74.46 -41.87 60.05 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 109.607 -0.516 . . . . 72.32 109.607 176.05 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 67.3 m95 -62.94 -39.28 94.15 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 123.238 0.336 . . . . 75.5 111.112 174.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -61.54 -44.06 97.73 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.812 0.845 . . . . 73.03 109.837 174.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -60.82 -43.54 98.1 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.252 1.021 . . . . 71.3 110.781 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.546 HG22 ' OG1' ' A' ' 71' ' ' THR . 79.5 mt -70.06 -38.55 75.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 123.696 0.798 . . . . 64.24 110.651 -178.355 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.47 -46.81 81.48 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.131 0.572 . . . . 63.32 110.901 177.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.52 -45.29 93.67 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.358 -0.837 . . . . 74.12 110.814 177.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.481 HD13 ' HA ' ' A' ' 40' ' ' TYR . 31.1 mt -60.68 -52.3 65.71 Favored 'General case' 0 C--O 1.213 -0.834 0 CA-C-N 116.05 -0.523 . . . . 74.53 110.41 179.34 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.6 p -63.15 -42.12 99.39 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.347 0.659 . . . . 63.41 112.314 -174.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.436 ' O ' ' HG3' ' A' ' 23' ' ' GLU . 13.8 pt20 -67.28 -40.55 86.14 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 123.413 0.446 . . . . 71.12 110.728 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.7 m -61.74 -50.45 72.36 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 123.468 0.48 . . . . 75.31 110.212 176.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.557 ' HA ' HD12 ' A' ' 24' ' ' LEU . 62.7 mt -58.6 -35.57 72.65 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.834 1.254 . . . . 73.44 111.024 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.8 tp -65.61 -51.45 59.58 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 123.7 0.625 . . . . 74.41 110.357 178.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 19' ' ' GLN . 44.1 mt-10 -59.82 -37.69 79.9 Favored 'General case' 0 N--CA 1.484 1.238 0 O-C-N 124.13 0.894 . . . . 75.41 111.001 -179.091 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.564 HD13 ' HB2' ' A' ' 32' ' ' LEU . 38.5 mt -64.64 -46.18 83.64 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 114.556 -1.202 . . . . 73.22 110.587 176.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.475 ' HB2' HD21 ' A' ' 33' ' ' LEU . . . -71.1 -31.98 68.48 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.387 0.675 . . . . 75.1 111.562 -178.4 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -68.35 -39.66 81.77 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.954 0.902 . . . . 63.32 110.302 175.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -85.78 -19.96 29.95 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 123.158 0.583 . . . . 73.35 110.954 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.06 11.03 47.26 Favored Glycine 0 C--N 1.349 1.28 0 N-CA-C 115.747 1.059 . . . . 75.03 115.747 177.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -77.86 91.28 4.13 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-N 118.729 1.265 . . . . 73.34 110.533 169.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 33.8 m95 -79.78 -13.53 59.37 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.778 0.831 . . . . 74.21 111.002 176.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -57.36 -59.85 4.51 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.067 1.347 . . . . 74.12 111.634 -177.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.564 ' HB2' HD13 ' A' ' 24' ' ' LEU . 69.5 mt -71.42 -16.43 62.39 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 114.974 -1.012 . . . . 75.52 111.381 -178.516 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.475 HD21 ' HB2' ' A' ' 25' ' ' ALA . 11.0 mp -66.0 -51.16 60.84 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 109.352 -0.61 . . . . 71.33 109.352 167.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.3 mt -69.61 -25.07 63.77 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 123.67 0.606 . . . . 74.33 111.967 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -80.33 -58.37 3.17 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 121.341 0.591 . . . . 71.21 109.863 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -73.44 -9.83 59.09 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.581 1.152 . . . . 62.02 112.0 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.415 ' HA ' ' CZ3' ' A' 1008 ' ' TRP . 42.1 tt0 -43.63 -57.66 3.05 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 124.855 1.262 . . . . 74.43 112.648 174.303 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.0 p -60.73 -37.12 75.14 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 O-C-N 123.659 0.599 . . . . 62.41 110.899 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.8 m -76.61 -30.43 56.94 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.737 0.815 . . . . 72.11 112.381 -175.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.481 ' HA ' HD13 ' A' ' 17' ' ' LEU . 34.7 t80 -77.66 -44.11 29.13 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 109.305 -0.628 . . . . 74.04 109.305 -179.336 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.0 mt -73.04 -26.63 61.37 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 115.779 -0.646 . . . . 62.23 110.834 178.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -69.65 -47.79 62.12 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.774 0.429 . . . . 73.13 110.336 173.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.417 ' HA ' HG22 ' A' ' 46' ' ' THR . 59.5 p -63.87 -40.14 95.85 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 122.889 0.476 . . . . 70.44 110.948 -179.037 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 25.8 mt -57.46 -52.79 52.52 Favored 'Isoleucine or valine' 0 C--O 1.248 1.016 0 C-N-CA 124.249 1.02 . . . . 71.33 110.436 173.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.31 -44.0 97.52 Favored 'General case' 0 C--N 1.347 0.491 0 CA-C-N 115.335 -0.848 . . . . 73.11 111.159 -175.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.482 HG23 ' HD3' ' A' ' 10' ' ' ARG . 12.1 t -75.97 -29.33 58.21 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 122.867 0.467 . . . . 74.4 111.86 -173.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 p -77.0 -36.67 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 CA-C-N 118.426 0.557 . . . . 75.2 110.035 177.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 52.5 ttm -74.27 -25.82 59.84 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 116.001 -0.545 . . . . 70.12 109.544 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -80.64 -25.26 38.45 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.968 0.907 . . . . 65.21 110.623 173.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.526 ' HA ' ' HE2' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -69.01 101.51 1.41 Allowed 'General case' 0 C--N 1.351 0.648 0 C-N-CA 122.806 0.442 . . . . 72.24 110.837 -177.213 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -61.09 120.76 10.91 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-N 115.569 -0.741 . . . . 72.14 109.483 173.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.1 m -98.23 138.51 20.88 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 124.216 1.006 . . . . 74.54 109.729 -175.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -54.33 152.47 25.66 Favored 'Trans proline' 0 C--N 1.382 2.297 0 C-N-CA 122.402 2.068 . . . . 60.41 112.346 171.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -61.74 -47.7 10.55 Favored 'Trans proline' 0 C--N 1.38 2.217 0 C-N-CA 123.106 2.537 . . . . 72.45 112.281 -177.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -73.27 75.13 0.99 Allowed Glycine 0 C--N 1.348 1.215 0 O-C-N 123.921 0.763 . . . . 40.11 113.536 -177.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.412 HG13 ' HB2' ' A' ' 61' ' ' GLN . 5.4 tp -79.92 98.99 3.51 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 C-N-CA 123.937 0.895 . . . . 75.52 108.671 175.739 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.419 HG22 HD12 ' A' ' 60' ' ' ILE . 10.5 t -81.34 172.81 13.12 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.922 0.489 . . . . 52.15 111.213 -174.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -66.74 -43.7 83.48 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.341 1.057 . . . . 74.24 112.579 -165.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.3 m -67.85 -43.77 78.71 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 122.729 0.412 . . . . 53.55 111.779 -177.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.419 HD12 HG22 ' A' ' 57' ' ' THR . 70.4 mt -60.92 -52.92 56.13 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 O-C-N 123.638 0.586 . . . . 74.35 109.442 176.335 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.412 ' HB2' HG13 ' A' ' 56' ' ' ILE . 52.6 tt0 -62.93 -31.35 72.41 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 123.896 0.748 . . . . 53.25 111.561 -177.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -68.65 -53.57 21.68 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.7 0.4 . . . . 71.04 110.307 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 74.7 mtm -61.34 -49.85 75.33 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 124.076 0.86 . . . . 72.55 110.602 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.3 t -58.69 -50.44 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 124.53 1.132 . . . . 72.13 111.192 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.403 ' O ' ' HG2' ' A' ' 69' ' ' LYS . . . -63.63 -28.59 70.02 Favored 'General case' 0 N--CA 1.482 1.162 0 O-C-N 123.474 0.484 . . . . 75.34 111.036 178.309 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.5 -51.98 54.21 Favored Glycine 0 C--N 1.352 1.453 0 N-CA-C 111.043 -0.823 . . . . 40.34 111.043 172.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -64.03 -32.08 73.5 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.765 0.826 . . . . 75.3 111.329 178.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 53.4 mt -67.29 -49.89 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.361 1.065 . . . . 74.54 110.331 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 10.2 mmpt? -63.57 -41.52 98.38 Favored 'General case' 0 C--O 1.246 0.89 0 O-C-N 123.293 0.37 . . . . 73.51 110.463 -178.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -59.17 -58.34 9.08 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 124.578 1.174 . . . . 71.41 110.011 176.16 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.546 ' OG1' HG22 ' A' ' 14' ' ' ILE . 6.5 t -65.25 -39.1 92.21 Favored 'General case' 0 C--O 1.214 -0.798 0 N-CA-C 112.217 0.451 . . . . 54.53 112.217 -170.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 68.8 mt -67.55 -35.4 78.99 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.131 0.572 . . . . 72.03 111.819 177.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -67.49 -50.77 57.46 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-O 120.847 0.356 . . . . 75.4 110.478 176.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -65.84 -36.61 83.96 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.778 0.831 . . . . 71.21 111.301 -178.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -73.69 -34.39 64.85 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.734 0.814 . . . . 55.52 110.56 178.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -61.85 -47.01 86.96 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-O 121.33 0.586 . . . . 71.41 109.854 174.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 81.9 mt -64.16 -41.74 97.03 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.799 -1.091 . . . . 64.54 110.566 177.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.4 mt -57.53 -45.87 84.52 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.899 0.88 . . . . 64.2 110.832 172.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.448 ' HA ' HD22 ' A' 1009 ' ' LEU . 82.8 tttt -62.02 -51.37 68.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.802 -1.09 . . . . 74.14 110.297 -172.432 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -69.74 -39.66 76.71 Favored Glycine 0 C--N 1.353 1.522 0 O-C-N 124.029 0.831 . . . . 74.42 112.864 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.408 HD22 ' HB1' ' A' ' 25' ' ' ALA . 9.3 tt -58.23 -61.57 2.47 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.107 0.963 . . . . 73.34 109.227 179.501 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.524 ' HB2' HD21 ' A' 1009 ' ' LEU . 27.1 mt -62.72 -33.13 74.5 Favored 'General case' 0 C--O 1.212 -0.876 0 C-N-CA 124.711 1.204 . . . . 71.5 111.777 -178.022 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -62.07 -50.07 73.44 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.794 0.438 . . . . 72.45 110.893 177.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -75.32 -24.48 57.41 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 123.304 0.377 . . . . 62.41 111.211 -178.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.405 ' HA ' ' NE ' ' A' ' 85' ' ' ARG . 13.6 mmp_? -72.55 -44.96 61.41 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 123.501 0.501 . . . . 65.1 109.903 175.021 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.437 HD11 ' HB3' ' A' 1005 ' ' LEU . 89.1 mt -68.74 -37.61 79.54 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.295 0.638 . . . . 74.31 110.792 179.169 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.72 -50.63 71.65 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 124.241 0.963 . . . . 71.13 109.791 176.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.479 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 36.7 tt0 -57.61 -56.87 16.36 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.302 -0.863 . . . . 72.13 111.207 175.651 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 82.4 mt -55.29 -44.21 75.51 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.684 1.194 . . . . 72.35 111.593 -178.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 92.2 p -71.27 -23.81 62.05 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 122.325 0.25 . . . . 55.41 110.948 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.3 t -77.39 -35.01 54.73 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 123.076 0.551 . . . . 73.4 111.396 171.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 46.5 mt -72.37 -43.53 63.86 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.546 0.689 . . . . 72.42 110.274 -178.72 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.463 HD13 HD13 ' A' ' 113' ' ' ILE . 82.3 mt -85.4 -42.65 16.38 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-N 114.108 -1.405 . . . . 71.25 109.986 -175.048 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -118.2 -110.89 2.49 Favored Glycine 0 C--N 1.349 1.265 0 N-CA-C 110.459 -1.056 . . . . 62.55 110.459 174.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -168.78 138.14 2.24 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.473 1.109 . . . . 70.02 109.047 175.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.462 HG13 ' HA2' ' A' ' 100' ' ' GLY . 43.0 t -96.96 128.1 48.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.771 0.829 . . . . 53.31 109.623 173.687 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.0 mp -89.13 -158.12 0.48 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.144 0.978 . . . . 74.44 109.53 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -54.29 -33.69 59.25 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.709 0.804 . . . . 74.24 110.946 169.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -119.24 136.44 54.21 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.817 1.247 . . . . 72.41 107.847 175.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.462 ' HA2' HG13 ' A' ' 96' ' ' VAL . . . -90.88 -121.55 2.46 Favored Glycine 0 C--N 1.348 1.217 0 CA-C-O 118.53 -1.15 . . . . 61.33 113.499 -172.209 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -64.62 81.39 0.17 Allowed 'Trans proline' 0 C--N 1.385 2.483 0 C-N-CA 123.451 2.767 . . . . 73.11 113.01 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.3 m -148.27 15.05 1.02 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.221 1.408 . . . . 71.33 109.327 176.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -157.57 169.97 23.46 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 124.518 1.127 . . . . 71.3 109.278 -177.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.88 82.97 0.95 Allowed Glycine 0 C--N 1.346 1.106 0 N-CA-C 112.041 -0.423 . . . . 34.45 112.041 177.158 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 78.9 mt -78.19 -19.35 54.05 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.829 0.851 . . . . 74.4 111.208 -179.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.1 p -141.97 77.14 18.77 Favored Pre-proline 0 CA--C 1.565 1.53 0 C-N-CA 124.545 1.138 . . . . 73.13 108.319 171.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -91.97 128.31 1.0 Allowed 'Trans proline' 0 C--N 1.383 2.356 0 C-N-CA 123.315 2.677 . . . . 34.52 113.029 -176.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.5 mtt180 -135.97 -40.27 0.68 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.81 0.844 . . . . 73.53 110.616 178.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 95.21 -11.42 69.14 Favored Glycine 0 C--N 1.35 1.307 0 CA-C-N 115.696 -0.684 . . . . 64.24 111.435 -170.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 30.0 t -175.35 105.17 0.08 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.536 1.535 . . . . 71.45 107.848 -178.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -164.35 157.64 30.04 Favored Glycine 0 C--N 1.35 1.332 0 CA-C-O 120.144 -0.253 . . . . 72.11 113.06 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -73.69 -48.39 17.5 Favored Glycine 0 C--N 1.352 1.463 0 C-N-CA 122.882 0.277 . . . . 44.31 112.914 -178.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.463 HD13 HD13 ' A' ' 93' ' ' ILE . 66.1 mt -66.69 -44.06 89.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 123.794 0.838 . . . . 73.03 110.309 176.252 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -58.3 -41.25 84.04 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.383 -0.826 . . . . 64.45 110.247 175.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -65.38 -41.63 96.41 Favored Glycine 0 C--N 1.344 1.007 0 CA-C-N 115.601 -0.727 . . . . 53.03 112.409 177.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 25.2 ttm -58.49 -49.56 76.9 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.946 0.898 . . . . 71.42 110.84 177.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 39.9 p -68.1 -45.69 73.0 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.175 -0.92 . . . . 72.25 111.047 -176.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 90.6 m -62.18 -42.11 98.97 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.103 0.561 . . . . 62.14 111.384 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 75.6 mtt-85 -57.64 -56.41 22.32 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 123.831 0.707 . . . . 74.14 110.077 175.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1005 ' ' LEU . . . . . 0.552 ' HA ' ' HB3' ' A' 1008 ' ' TRP . 63.3 mt -74.44 -24.27 59.05 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 124.077 0.861 . . . . 71.2 112.991 -170.687 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 38.6 p -77.32 -40.54 43.92 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-N 118.935 0.789 . . . . 64.31 110.058 174.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 23.6 tpt180 -62.83 -34.46 77.37 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-O 121.503 0.668 . . . . 64.3 110.084 172.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1008 ' ' TRP . . . . . 0.552 ' HB3' ' HA ' ' A' 1005 ' ' LEU . 9.4 t-105 -65.27 -52.3 55.21 Favored 'General case' 0 C--O 1.216 -0.66 0 C-N-CA 124.955 1.302 . . . . 75.4 109.671 175.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1009 ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' 1005 ' ' LEU . 92.1 mt -63.87 -33.83 76.58 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.183 0.593 . . . . 73.31 112.32 -176.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 13.8 t -78.57 -29.7 46.37 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 110.583 -0.154 . . . . 70.53 110.583 177.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -70.97 -32.45 69.31 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 122.773 0.429 . . . . 72.45 110.777 172.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1012 ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' 1008 ' ' TRP . 28.1 mt -67.88 -44.12 77.76 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 123.455 0.702 . . . . 64.11 109.142 174.482 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 21.9 t70 -63.56 -34.92 78.87 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.143 -0.935 . . . . 71.5 110.72 178.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 61.8 t30 -68.82 -44.71 72.93 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.575 0.75 . . . . 74.41 110.286 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 49.2 t80 -62.33 -60.09 4.06 Favored 'General case' 0 C--O 1.214 -0.797 0 O-C-N 123.746 0.654 . . . . 64.25 110.043 176.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -42.2 -57.47 2.51 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.98 1.712 . . . . 71.53 112.265 177.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1017 ' ' ALA . . . . . 0.466 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -62.77 -60.09 3.97 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.275 -0.875 . . . . 41.04 111.554 -177.366 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 20.4 tptm -67.06 -29.94 69.86 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 112.171 0.434 . . . . 62.1 112.171 -172.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1019 ' ' MET . . . . . 0.535 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.1 OUTLIER -78.1 -28.9 48.75 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 109.903 -0.406 . . . . 73.2 109.903 178.24 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -74.54 -15.38 60.86 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.405 0.282 . . . . 61.04 110.781 168.039 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1021 ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' 1017 ' ' ALA . 86.2 mt -89.02 -16.47 31.58 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.484 0.714 . . . . 73.03 111.756 171.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1022 ' ' LEU . . . . . 0.535 ' HG ' ' HA ' ' A' 1019 ' ' MET . 85.2 mt -53.67 113.21 4.57 Favored Pre-proline 0 N--CA 1.503 2.22 0 C-N-CA 123.039 0.535 . . . . 73.2 110.831 169.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -92.81 27.15 0.37 Allowed 'Trans proline' 0 C--N 1.376 2.002 0 C-N-CA 123.116 2.544 . . . . 74.34 113.288 -177.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -125.81 -33.4 2.72 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.317 0.647 . . . . 65.42 111.634 -173.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1025 ' ' VAL . . . . . . . . . . . . . 15.3 m . . . . . 0 N--CA 1.481 1.112 0 C-N-CA 124.475 1.11 . . . . 55.2 109.944 179.496 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ttt . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 119.687 -0.197 . . . . 73.32 110.8 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.7 p -55.27 -52.49 63.26 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.357 0.663 . . . . 62.03 112.365 -173.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.7 m -62.33 -41.13 98.32 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 123.407 0.683 . . . . 75.04 111.973 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 95.6 m -59.71 -57.29 13.55 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.051 0.94 . . . . 62.1 110.66 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 75.5 t -59.58 -52.42 61.18 Favored 'Isoleucine or valine' 0 C--N 1.348 0.512 0 CA-C-N 115.287 -0.87 . . . . 44.41 110.851 -176.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -64.35 -39.95 94.91 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 119.207 -0.425 . . . . 75.34 111.073 -174.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -61.54 -51.91 66.62 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.43 0.692 . . . . 74.12 111.116 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 95.1 mt -67.44 -33.28 61.46 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 CA-C-N 115.047 -0.979 . . . . 74.52 111.076 -177.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -80.99 -24.83 37.72 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.508 0.723 . . . . 75.32 111.747 -179.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.478 ' O ' HG13 ' A' ' 14' ' ' ILE . 80.4 mtt180 -72.73 -44.86 61.13 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 108.797 -0.816 . . . . 55.12 108.797 172.627 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 37.3 m95 -60.46 -40.7 92.15 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 123.575 0.547 . . . . 64.01 111.194 173.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -65.16 -40.2 94.0 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.576 0.75 . . . . 63.13 110.311 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -62.01 -45.71 92.41 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 123.96 0.788 . . . . 75.34 110.272 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 10' ' ' ARG . 67.5 mt -63.75 -45.6 96.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 124.018 0.824 . . . . 72.04 110.874 178.569 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.57 -50.45 72.58 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.571 0.748 . . . . 73.31 111.59 -176.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.45 -41.94 96.24 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 123.992 0.808 . . . . 73.52 110.64 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.5 mt -62.74 -39.44 94.09 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.005 0.522 . . . . 73.14 110.874 175.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.9 t -69.58 -43.84 72.02 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.364 0.665 . . . . 70.21 110.786 -173.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -72.32 -34.48 68.11 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 123.405 0.44 . . . . 75.24 111.397 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.42 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 72.4 m -63.6 -52.56 60.37 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 122.576 0.35 . . . . 74.43 110.363 174.324 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.62 HD13 ' HH2' ' A' 1008 ' ' TRP . 80.4 mt -63.15 -28.76 70.28 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.155 0.982 . . . . 70.41 110.876 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.539 HD22 ' HA ' ' A' ' 74' ' ' ASN . 32.2 tp -66.47 -50.12 64.36 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 123.386 0.429 . . . . 74.22 110.345 175.428 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -52.49 -45.89 66.38 Favored 'General case' 0 N--CA 1.485 1.325 0 O-C-N 124.078 0.861 . . . . 71.41 110.047 176.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.572 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 82.1 mt -69.54 -35.0 75.02 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 113.847 -1.524 . . . . 74.22 112.087 -177.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.519 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -68.32 -38.73 81.85 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 122.88 0.472 . . . . 72.23 110.467 178.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -65.66 -38.82 90.39 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 115.28 -0.873 . . . . 74.31 110.202 175.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -76.04 -20.75 57.52 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.514 0.726 . . . . 74.35 112.282 177.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.49 23.59 53.39 Favored Glycine 0 C--N 1.339 0.736 0 CA-C-N 116.808 -0.178 . . . . 63.04 113.34 -178.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.572 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 23.1 mm-40 -76.47 75.54 3.21 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.501 1.12 . . . . 64.01 110.448 175.059 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 20.1 m95 -72.05 -35.19 69.25 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.06 0.544 . . . . 73.21 111.612 -173.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -63.81 -36.74 84.9 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.562 0.745 . . . . 50.35 110.666 -179.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.0 mt -72.32 -37.47 68.92 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 123.233 0.613 . . . . 72.4 110.691 178.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.453 ' HA ' HD22 ' A' ' 21' ' ' LEU . 9.4 mp -61.04 -43.36 99.0 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 122.753 0.421 . . . . 74.22 110.815 172.341 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.6 mt -73.95 -27.55 61.06 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.051 0.94 . . . . 64.11 111.883 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -74.92 -49.32 20.62 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.697 0.799 . . . . 65.11 110.294 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.489 ' HB2' HD21 ' A' ' 21' ' ' LEU . 70.4 mt-30 -85.75 -9.96 56.29 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.044 0.938 . . . . 74.42 111.61 -176.345 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.446 ' HG3' ' HE3' ' A' 1008 ' ' TRP . 40.9 tt0 -44.44 -52.71 7.58 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.347 1.459 . . . . 71.35 112.446 173.048 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.9 p -53.4 -46.95 59.0 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 O-C-N 124.177 0.923 . . . . 63.44 111.32 178.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.3 m -68.77 -38.99 80.44 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.137 0.975 . . . . 73.34 111.985 -175.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -73.04 -49.73 27.07 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.485 0.714 . . . . 62.23 110.61 -174.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.0 mt -64.99 -37.93 89.29 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 123.906 0.754 . . . . 62.3 110.729 179.146 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -61.82 -45.7 92.72 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.282 0.633 . . . . 74.11 111.024 176.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.459 ' HA ' HG22 ' A' ' 46' ' ' THR . 8.9 t -66.03 -37.21 85.29 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 123.06 0.544 . . . . 74.0 110.735 -178.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 17.6 mt -59.64 -56.95 13.91 Favored 'Isoleucine or valine' 0 C--O 1.251 1.15 0 C-N-CA 124.659 1.183 . . . . 54.3 111.119 175.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -68.74 -29.94 68.45 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.739 -0.664 . . . . 72.5 111.002 -174.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.459 HG22 ' HA ' ' A' ' 43' ' ' SER . 6.7 t -79.28 -30.12 42.84 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 111.931 0.345 . . . . 71.55 111.931 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 p -75.83 -35.6 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-N 118.979 0.809 . . . . 62.54 110.014 176.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 41.9 ttm -73.58 -26.11 60.67 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 109.547 -0.538 . . . . 54.32 109.547 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -66.86 -37.57 84.69 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.229 1.012 . . . . 74.12 110.632 167.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.408 ' HB2' ' NH1' ' A' ' 10' ' ' ARG . 14.5 tppt? -79.8 91.42 5.33 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 121.453 0.644 . . . . 70.51 109.906 -174.063 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -81.51 131.66 35.29 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-N 114.531 -1.213 . . . . 74.35 109.14 174.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.9 p -110.16 151.82 42.78 Favored Pre-proline 0 C--O 1.241 0.615 0 C-N-CA 123.806 0.842 . . . . 72.21 109.29 174.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -53.92 154.2 17.96 Favored 'Trans proline' 0 C--N 1.378 2.12 0 C-N-CA 122.775 2.316 . . . . 73.04 113.024 176.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -51.52 -46.43 31.73 Favored 'Trans proline' 0 C--N 1.388 2.631 0 C-N-CA 124.024 3.149 . . . . 71.53 113.189 -175.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -72.51 85.9 0.52 Allowed Glycine 0 C--N 1.342 0.878 0 CA-C-N 114.911 -1.041 . . . . 75.44 112.847 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.461 HG22 ' HB2' ' A' ' 61' ' ' GLN . 9.6 mm -93.79 118.32 39.39 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 N-CA-C 108.933 -0.765 . . . . 72.24 108.933 172.134 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.6 t -73.56 173.79 9.2 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 123.965 0.906 . . . . 52.04 111.907 -175.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -53.75 -55.5 25.74 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.17 1.388 . . . . 73.22 112.863 -170.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.9 m -65.45 -44.15 88.15 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.236 0.614 . . . . 51.33 111.835 -173.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 65.7 mt -60.82 -51.16 76.39 Favored 'Isoleucine or valine' 0 C--N 1.358 0.938 0 N-CA-C 109.304 -0.628 . . . . 61.02 109.304 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.461 ' HB2' HG22 ' A' ' 56' ' ' ILE . 23.9 tm0? -57.54 -45.09 85.51 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 123.945 0.778 . . . . 54.43 110.744 -178.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -62.9 -54.56 36.78 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.86 0.864 . . . . 64.41 111.264 -176.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 78.3 mtm -62.03 -49.53 75.64 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 123.784 0.677 . . . . 73.11 110.787 -178.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.2 t -58.36 -44.69 88.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 123.858 0.863 . . . . 75.21 111.079 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.94 -30.9 71.55 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.451 0.701 . . . . 74.0 111.281 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.69 -47.27 85.33 Favored Glycine 0 C--N 1.35 1.317 0 N-CA-C 111.42 -0.672 . . . . 64.34 111.42 173.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -67.96 -33.48 74.73 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.61 0.764 . . . . 63.42 111.356 179.041 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.472 HG23 ' HE1' ' A' 1019 ' ' MET . 18.0 mt -65.57 -48.0 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 124.695 1.198 . . . . 63.4 109.654 177.206 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -63.06 -41.99 99.58 Favored 'General case' 0 C--O 1.246 0.911 0 C-N-CA 123.541 0.736 . . . . 74.03 110.19 -179.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -59.81 -58.71 7.41 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 115.213 -0.903 . . . . 72.31 110.195 176.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.1 t -65.95 -33.78 76.6 Favored 'General case' 0 C--O 1.206 -1.2 0 CA-C-O 119.002 -0.523 . . . . 75.45 111.894 -173.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.558 HD21 ' SD ' ' A' 1019 ' ' MET . 56.4 mt -67.84 -40.78 83.66 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 118.466 0.575 . . . . 74.1 111.386 177.574 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.422 ' O ' ' HB3' ' A' ' 76' ' ' GLN . 27.9 t70 -73.78 -47.24 40.33 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-O 121.578 0.704 . . . . 63.45 111.442 -179.257 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.539 ' HA ' HD22 ' A' ' 22' ' ' LEU . 15.0 m120 -69.41 -38.27 77.86 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.259 -0.882 . . . . 61.21 110.644 -176.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.674 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 34.9 tt0 -75.18 -32.24 61.2 Favored 'General case' 0 C--O 1.209 -1.072 0 O-C-N 123.439 0.462 . . . . 71.13 110.676 175.464 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.422 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 19.1 tt0 -52.22 -49.25 64.33 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 121.516 0.674 . . . . 70.55 109.713 170.751 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.4 mt -71.93 -31.65 66.55 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 114.745 -1.116 . . . . 74.33 111.711 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.674 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 11.0 mt -62.42 -65.53 0.68 Allowed 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 123.042 0.537 . . . . 71.24 111.093 175.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 19.7 pttp -70.2 -23.39 62.95 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.194 0.598 . . . . 75.12 112.038 -175.56 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.92 -50.66 45.46 Favored Glycine 0 C--N 1.348 1.198 0 N-CA-C 112.344 -0.302 . . . . 72.31 112.344 170.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.519 HD22 ' HB1' ' A' ' 25' ' ' ALA . 8.6 tt -65.82 -40.32 91.71 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.879 0.872 . . . . 61.45 110.993 179.513 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.456 HD13 ' HE1' ' A' 1008 ' ' TRP . 37.7 mt -79.72 -30.45 40.94 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.768 0.827 . . . . 74.41 111.961 -173.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -69.62 -43.63 72.31 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 108.726 -0.842 . . . . 71.22 108.726 170.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.405 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 59.8 tp60 -59.24 -40.17 85.07 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 123.843 0.715 . . . . 65.44 109.89 174.652 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.578 ' HA ' ' HE ' ' A' ' 85' ' ' ARG . 0.1 OUTLIER -64.74 -56.78 11.5 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 123.623 0.769 . . . . 75.11 110.335 -177.095 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.528 HD11 ' HB3' ' A' 1005 ' ' LEU . 86.3 mt -69.61 -21.81 63.55 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 123.621 0.576 . . . . 65.22 112.114 -176.269 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -76.6 -43.39 38.76 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.111 0.564 . . . . 73.53 110.104 175.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.513 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 14.1 mm-40 -61.19 -48.56 80.98 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.153 0.581 . . . . 74.1 109.686 173.506 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 89.5 mt -59.08 -43.89 91.84 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 124.407 1.083 . . . . 72.14 110.979 178.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.1 t -61.84 -37.13 83.35 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.026 0.53 . . . . 63.43 110.752 177.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.3 t -73.78 -24.85 59.9 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 123.531 0.733 . . . . 61.01 111.408 176.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 52.0 mt -76.14 -33.22 59.39 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.158 0.583 . . . . 72.12 109.853 173.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 72.4 mt -87.82 -15.64 9.34 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 C-N-CA 124.725 1.21 . . . . 64.12 110.12 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.99 -106.88 0.01 OUTLIER Glycine 0 C--N 1.351 1.41 0 C-N-CA 124.093 0.854 . . . . 72.34 114.476 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 68.56 -68.0 0.19 Allowed 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 125.419 1.488 . . . . 65.13 110.285 -174.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.6 p -60.48 -36.06 67.16 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.211 0 C-N-CA 123.536 0.734 . . . . 73.41 109.796 166.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 60.7 tp -92.69 100.36 12.88 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 107.991 -1.115 . . . . 71.04 107.991 159.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -62.53 -59.06 5.47 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.664 0.786 . . . . 63.31 110.411 175.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.7 pm0 -172.36 155.23 3.45 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.708 1.203 . . . . 74.02 109.498 169.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 150.09 161.99 10.23 Favored Glycine 0 N--CA 1.468 0.767 0 CA-C-O 118.448 -1.196 . . . . 73.33 111.223 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -59.48 89.16 0.07 OUTLIER 'Trans proline' 0 C--N 1.376 2.013 0 C-N-CA 123.292 2.661 . . . . 61.31 113.067 -178.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.2 t -168.66 46.26 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 124.311 1.044 . . . . 73.12 108.877 -178.045 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.03 87.78 1.37 Allowed 'General case' 0 N--CA 1.478 0.968 0 CA-C-O 121.689 0.757 . . . . 73.34 111.286 -178.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 171.72 -76.37 0.1 OUTLIER Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 114.873 -1.058 . . . . 53.31 110.696 177.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.9 mt 69.72 -59.03 0.51 Allowed 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 125.914 1.686 . . . . 72.42 111.678 -175.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.405 HG12 ' HA ' ' A' ' 114' ' ' GLU . 21.6 t -63.16 112.33 6.7 Favored Pre-proline 0 CA--C 1.563 1.463 0 C-N-CA 124.705 1.202 . . . . 73.11 111.407 -176.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -89.56 -169.14 0.35 Allowed 'Trans proline' 0 C--N 1.378 2.094 0 C-N-CA 123.615 2.877 . . . . 72.12 113.674 -175.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.49 ' HA ' HG21 ' A' 1003 ' ' THR . 99.8 mtt180 -71.6 102.55 2.77 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 123.821 0.848 . . . . 73.35 110.794 -179.25 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -147.14 -169.59 14.75 Favored Glycine 0 C--N 1.337 0.628 0 N-CA-C 112.103 -0.399 . . . . 75.14 112.103 177.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 45.4 m -127.64 88.15 2.74 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.575 0.75 . . . . 61.15 109.58 -179.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -156.83 27.66 0.52 Allowed Glycine 0 C--N 1.344 1.011 0 CA-C-N 115.363 -0.835 . . . . 73.12 111.699 176.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 80.78 -70.56 3.02 Favored Glycine 0 C--N 1.357 1.697 0 C-N-CA 123.143 0.402 . . . . 73.13 113.156 178.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 16.3 tt -58.66 -32.12 45.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 124.819 1.247 . . . . 73.22 112.043 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.405 ' HA ' HG12 ' A' ' 106' ' ' VAL . 35.8 mt-10 -68.62 -44.26 74.62 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.81 0.844 . . . . 73.14 110.578 -177.075 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -72.46 -31.1 63.57 Favored Glycine 0 C--N 1.34 0.769 0 CA-C-N 115.244 -0.889 . . . . 74.23 112.026 178.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 47.1 ttp -63.52 -50.74 68.41 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 123.597 0.759 . . . . 64.4 110.048 176.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 25.2 p -65.73 -48.46 71.86 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 123.457 0.473 . . . . 52.44 111.076 -178.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1003 ' ' THR . . . . . 0.49 HG21 ' HA ' ' A' ' 108' ' ' ARG . 39.1 p -63.15 -45.19 93.04 Favored 'General case' 0 C--O 1.248 0.982 0 O-C-N 123.426 0.454 . . . . 73.54 112.053 -176.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -66.21 -44.07 84.94 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-O 118.949 -0.548 . . . . 74.03 110.809 178.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1005 ' ' LEU . . . . . 0.528 ' HB3' HD11 ' A' ' 86' ' ' LEU . 35.7 mt -70.51 -29.24 65.7 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 118.902 -0.57 . . . . 72.13 112.504 -178.522 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 41.2 p -73.28 -44.44 59.19 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 118.991 0.814 . . . . 61.44 110.446 176.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -57.48 -40.57 78.86 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.43 0.692 . . . . 63.3 110.364 171.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1008 ' ' TRP . . . . . 0.62 ' HH2' HD13 ' A' ' 21' ' ' LEU . 3.4 t-105 -61.49 -49.07 78.22 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 125.069 1.348 . . . . 74.3 110.142 177.439 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1009 ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' 1005 ' ' LEU . 63.6 mt -64.9 -40.76 95.59 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.045 0.538 . . . . 74.02 111.734 -176.508 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 14.7 t -72.04 -28.8 63.59 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 119.524 -0.274 . . . . 60.3 110.551 178.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -75.21 -30.01 60.47 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.195 0.598 . . . . 70.44 111.351 175.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1012 ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' 1008 ' ' TRP . 16.6 mt -72.42 -49.8 30.97 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 121.272 0.558 . . . . 72.42 110.066 177.357 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 19.6 t70 -62.16 -36.96 83.42 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 115.198 -0.91 . . . . 75.43 110.113 177.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 8.2 t30 -60.9 -46.17 91.71 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.065 0.946 . . . . 72.13 110.768 172.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 34.6 t80 -59.28 -61.22 2.79 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-O 119.151 -0.452 . . . . 71.14 109.896 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.05 -48.65 52.8 Favored 'General case' 0 C--O 1.248 1.02 0 C-N-CA 124.797 1.239 . . . . 73.2 112.039 -177.166 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1017 ' ' ALA . . . . . 0.4 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -61.4 -60.29 3.96 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 115.278 -0.874 . . . . 53.32 111.811 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -67.43 -29.42 68.89 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.576 0.75 . . . . 60.44 111.369 -173.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1019 ' ' MET . . . . . 0.608 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.4 OUTLIER -80.85 -26.67 36.82 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 120.484 0.183 . . . . 74.33 110.657 -178.902 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -68.68 -32.96 73.16 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 110.043 -0.355 . . . . 60.41 110.043 166.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1021 ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' 1017 ' ' ALA . 91.0 mt -80.73 -12.35 59.48 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.553 0.741 . . . . 74.12 112.826 178.579 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1022 ' ' LEU . . . . . 0.608 ' HG ' ' HA ' ' A' 1019 ' ' MET . 57.6 mt -50.58 120.04 12.19 Favored Pre-proline 0 N--CA 1.494 1.764 0 C-N-CA 122.833 0.453 . . . . 63.34 111.553 169.369 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -83.58 -7.89 10.54 Favored 'Trans proline' 0 C--N 1.374 1.898 0 C-N-CA 122.762 2.308 . . . . 62.33 112.616 177.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -77.92 -30.26 50.47 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.799 0.84 . . . . 65.53 111.392 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1025 ' ' VAL . . . . . . . . . . . . . 1.5 m . . . . . 0 CA--C 1.559 1.3 0 C-N-CA 124.493 1.117 . . . . 64.42 109.298 -176.889 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ttt . . . . . 0 N--CA 1.488 1.463 0 N-CA-C 111.429 0.159 . . . . 75.54 111.429 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.5 m -56.64 -39.47 73.74 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.169 0.587 . . . . 74.14 111.536 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.8 m -63.02 -44.09 96.94 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.835 0.854 . . . . 53.14 110.938 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 87.2 m -55.32 -57.95 9.72 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.584 1.154 . . . . 64.0 110.839 176.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.9 t -60.64 -44.42 96.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 115.116 -0.947 . . . . 74.44 110.237 -175.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -56.32 -53.11 61.19 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.217 1.007 . . . . 73.42 110.725 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.497 ' HA ' HH21 ' A' ' 10' ' ' ARG . 10.7 t80 -64.88 -52.9 54.03 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 114.663 -1.153 . . . . 72.43 110.894 -171.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.456 HD11 HG12 ' A' ' 60' ' ' ILE . 82.4 mt -62.18 -45.75 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 O-C-N 124.139 0.899 . . . . 74.04 111.237 -177.686 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -65.58 -42.02 92.2 Favored 'General case' 0 N--CA 1.484 1.24 0 O-C-N 123.649 0.593 . . . . 64.14 111.251 -176.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.854 HH12 ' HB2' ' A' ' 50' ' ' LYS . 87.7 mtm180 -62.16 -54.35 42.37 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 123.41 0.444 . . . . 64.34 110.442 177.479 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 77.4 m95 -61.12 -33.03 72.74 Favored 'General case' 0 N--CA 1.483 1.177 0 O-C-N 123.705 0.628 . . . . 75.24 112.134 -178.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -65.08 -47.06 78.62 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.171 0.588 . . . . 74.31 109.71 177.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -60.39 -46.9 88.33 Favored 'General case' 0 C--N 1.355 0.821 0 O-C-N 123.886 0.741 . . . . 72.15 110.725 177.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 10' ' ' ARG . 79.9 mt -63.59 -38.91 83.5 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 123.761 0.824 . . . . 62.5 110.983 -176.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.17 -45.69 76.22 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.337 0.655 . . . . 63.41 111.14 178.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.1 mt -71.09 -32.84 69.57 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.0 0.52 . . . . 63.53 111.132 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 40' ' ' TYR . 40.7 mt -66.64 -54.26 25.22 Favored 'General case' 0 C--O 1.213 -0.841 0 C-N-CA 123.282 0.633 . . . . 75.43 109.347 177.43 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.4 p -62.68 -35.51 79.92 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.489 0.716 . . . . 55.32 110.969 -177.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.402 ' HA ' ' OD1' ' A' ' 74' ' ' ASN . 25.4 tt0 -56.59 -63.09 1.31 Allowed 'General case' 0 C--O 1.249 1.032 0 C-N-CA 124.203 1.001 . . . . 64.12 110.982 173.461 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.481 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 57.3 m -52.83 -54.63 31.61 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 124.634 1.209 . . . . 73.22 110.456 179.181 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.599 HD21 ' HB2' ' A' ' 36' ' ' GLN . 82.1 mt -58.47 -36.19 73.34 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.831 1.252 . . . . 60.23 111.864 -177.287 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.579 HD22 ' HA ' ' A' ' 74' ' ' ASN . 43.6 tp -65.24 -49.46 69.56 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 109.98 -0.378 . . . . 51.32 109.98 177.078 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -59.86 -34.65 73.4 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 123.927 0.767 . . . . 75.33 110.447 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.526 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 92.4 mt -74.59 -32.03 62.23 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.971 0.908 . . . . 73.4 111.096 178.768 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.491 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -69.81 -38.13 76.49 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.098 0.559 . . . . 73.53 110.082 177.238 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -67.6 -36.97 81.86 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.236 -0.893 . . . . 71.05 110.411 174.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.1 mtp85 -74.08 -25.24 59.7 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.422 0.689 . . . . 72.44 112.066 177.128 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.13 24.13 52.95 Favored Glycine 0 C--N 1.339 0.731 0 O-C-N 123.215 0.322 . . . . 72.32 113.218 -175.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.526 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 52.5 mm-40 -77.56 68.08 3.59 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.683 0.793 . . . . 75.31 110.235 172.733 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.404 ' HE3' HD12 ' A' ' 33' ' ' LEU . 32.5 m95 -66.09 -30.37 70.86 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.154 0.582 . . . . 61.44 110.827 -173.351 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -69.25 -41.97 76.21 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.763 0.825 . . . . 70.32 110.678 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 71.8 mt -67.94 -32.35 72.72 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 122.896 0.478 . . . . 73.24 110.866 176.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.404 HD12 ' HE3' ' A' ' 30' ' ' TRP . 65.9 mt -62.81 -47.43 83.47 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.528 0.518 . . . . 73.04 110.21 173.295 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.9 mt -64.64 -38.17 90.1 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 124.149 0.906 . . . . 54.31 111.762 179.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -62.32 -56.18 20.9 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 121.808 0.813 . . . . 71.51 110.02 -179.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.599 ' HB2' HD21 ' A' ' 21' ' ' LEU . 81.6 mt-30 -83.46 -10.23 58.5 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 114.238 -1.346 . . . . 72.14 112.047 -174.135 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.27 -53.03 11.48 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.957 1.303 . . . . 62.22 111.022 174.252 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.5 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 72.0 t -52.34 -61.55 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.883 0 O-C-N 124.533 1.146 . . . . 64.52 109.627 178.231 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.8 m -50.45 -43.49 55.23 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 124.728 1.267 . . . . 75.45 112.01 -176.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.412 ' HA ' HD13 ' A' ' 17' ' ' LEU . 35.5 t80 -68.82 -47.32 66.35 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 123.947 0.779 . . . . 71.42 110.854 -175.586 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.574 HD11 ' HA ' ' A' 1008 ' ' TRP . 76.9 mt -71.93 -29.12 63.96 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 123.402 0.439 . . . . 43.12 111.983 -176.049 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 18.0 mm100 -76.63 -34.88 58.31 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 122.944 0.498 . . . . 63.44 110.069 177.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.6 m -64.81 -43.66 92.43 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.0 0.52 . . . . 61.21 110.354 173.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 25.6 mt -55.69 -49.8 71.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.695 1.198 . . . . 51.31 110.596 174.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -59.86 -55.76 30.17 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.107 -0.951 . . . . 64.02 110.377 -178.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.2 t -64.13 -31.08 72.15 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 123.857 0.723 . . . . 73.31 111.648 -173.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.521 ' HA ' ' NH1' ' A' ' 10' ' ' ARG . 1.9 p -75.72 -38.85 38.3 Favored 'Isoleucine or valine' 0 C--N 1.363 1.174 0 N-CA-C 110.473 -0.195 . . . . 72.11 110.473 179.42 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 42.1 ttm -79.29 -12.45 59.94 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.148 0.579 . . . . 54.45 110.827 -177.31 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -78.0 -34.87 50.57 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 112.048 0.388 . . . . 72.4 112.048 171.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.854 ' HB2' HH12 ' A' ' 10' ' ' ARG . 0.1 OUTLIER -121.44 99.98 6.77 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 109.911 -0.403 . . . . 64.31 109.911 -175.135 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -98.9 140.21 33.41 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.954 0.902 . . . . 74.05 109.226 -178.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.4 p -81.05 150.39 68.43 Favored Pre-proline 0 N--CA 1.48 1.072 0 CA-C-O 118.97 -0.538 . . . . 52.02 109.707 169.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -56.25 156.99 18.96 Favored 'Trans proline' 0 C--N 1.382 2.317 0 C-N-CA 123.212 2.608 . . . . 73.14 113.448 178.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -51.2 -45.75 35.13 Favored 'Trans proline' 0 C--N 1.389 2.659 0 C-N-CA 124.126 3.217 . . . . 71.11 113.226 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.42 71.34 1.81 Allowed Glycine 0 C--N 1.345 1.071 0 O-C-N 123.598 0.561 . . . . 74.12 112.404 175.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.447 HG23 ' HB2' ' A' ' 61' ' ' GLN . 8.3 tp -98.1 135.98 30.71 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 C-N-CA 124.166 0.987 . . . . 73.5 108.539 179.082 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.0 t -62.65 152.97 33.77 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 122.764 0.426 . . . . 64.12 111.855 -173.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -31.49 66.85 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.771 0.829 . . . . 74.13 112.375 -170.74 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.9 m -67.17 -57.78 6.09 Favored 'General case' 0 C--O 1.256 1.423 0 C-N-CA 123.45 0.7 . . . . 64.51 110.442 -177.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.456 HG12 HD11 ' A' ' 8' ' ' ILE . 65.7 mt -62.43 -47.45 92.96 Favored 'Isoleucine or valine' 0 C--N 1.36 1.03 0 CA-C-N 115.046 -0.979 . . . . 74.12 109.721 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.447 ' HB2' HG23 ' A' ' 56' ' ' ILE . 57.7 tt0 -59.08 -43.25 91.77 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 123.916 0.76 . . . . 74.31 111.281 -178.024 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -65.24 -52.09 56.77 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 123.396 0.435 . . . . 72.53 110.618 -177.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 58.8 mtm -61.74 -48.76 79.27 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.697 0.623 . . . . 61.1 110.804 -178.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.409 HG11 ' CE1' ' A' ' 7' ' ' PHE . 18.6 t -64.09 -41.03 91.18 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.823 0 C-N-CA 124.044 0.938 . . . . 73.11 111.441 -178.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.443 ' HA ' ' HB ' ' A' ' 68' ' ' ILE . . . -69.31 -29.33 67.15 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 122.843 0.457 . . . . 43.32 110.658 179.722 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.72 -41.15 93.93 Favored Glycine 0 C--N 1.347 1.17 0 N-CA-C 111.272 -0.731 . . . . 71.01 111.272 170.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -67.93 -33.8 75.37 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.793 0.837 . . . . 71.33 110.796 175.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.481 HG23 ' HE1' ' A' 1019 ' ' MET . 20.0 mt -68.7 -47.82 74.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 125.127 1.371 . . . . 62.21 109.714 -179.164 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -69.81 -37.73 76.37 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 123.683 0.614 . . . . 62.22 110.049 -178.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -60.43 -53.41 57.92 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 123.98 0.8 . . . . 61.24 110.061 175.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.434 ' OG1' HG22 ' A' ' 14' ' ' ILE . 5.9 t -71.66 -35.1 70.24 Favored 'General case' 0 C--O 1.203 -1.367 0 CA-C-O 118.926 -0.559 . . . . 63.0 111.412 -173.749 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 72' ' ' LEU . 19.4 mt -67.86 -40.6 83.6 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 118.272 0.487 . . . . 73.13 110.924 178.43 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -64.92 -55.33 19.92 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.797 0.685 . . . . 71.24 110.081 177.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.579 ' HA ' HD22 ' A' ' 22' ' ' LEU . 0.8 OUTLIER -69.96 -31.4 69.11 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 114.864 -1.062 . . . . 64.1 111.48 -171.938 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -79.6 -37.88 35.24 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 123.47 0.481 . . . . 74.12 111.286 178.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -63.51 -35.85 81.84 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 109.417 -0.586 . . . . 73.12 109.417 175.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.6 mt -68.34 -40.94 81.39 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.418 0.687 . . . . 55.1 110.807 173.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.8 mt -58.06 -43.89 87.16 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.208 0.603 . . . . 61.33 110.85 171.146 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 83' ' ' GLN . 8.3 tmtt? -67.53 -46.3 73.23 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.252 1.021 . . . . 61.21 109.048 -172.393 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -72.88 -41.17 50.11 Favored Glycine 0 C--N 1.343 0.927 0 O-C-N 124.066 0.854 . . . . 55.11 113.112 -177.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.491 HD22 ' HB1' ' A' ' 25' ' ' ALA . 10.0 tt -64.02 -48.68 75.38 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.604 0.761 . . . . 71.22 109.711 179.451 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.467 ' HB2' HD21 ' A' 1009 ' ' LEU . 39.1 mt -77.07 -23.2 51.98 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.644 0.778 . . . . 65.53 111.813 -176.018 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 0.5 OUTLIER -65.91 -53.61 37.23 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 107.503 -1.295 . . . . 71.43 107.503 170.162 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.27 -37.02 76.6 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 124.648 1.218 . . . . 52.52 109.933 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -69.43 -55.51 10.09 Favored 'General case' 0 C--N 1.346 0.421 0 C-N-CA 123.961 0.904 . . . . 74.51 110.806 -176.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.535 HD11 ' HB3' ' A' 1005 ' ' LEU . 96.0 mt -66.17 -36.86 84.22 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.904 0.482 . . . . 71.5 111.043 -177.456 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -64.79 -45.03 88.01 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 124.338 1.024 . . . . 63.43 110.423 177.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.525 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 32.6 tt0 -63.06 -53.75 48.8 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 123.744 0.652 . . . . 71.12 110.036 178.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 92.6 mt -50.15 -52.92 31.29 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.476 1.11 . . . . 72.1 110.66 178.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 78.2 p -67.66 -26.11 66.04 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.283 0.633 . . . . 73.42 111.336 -178.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 45.0 t -72.99 -34.8 66.65 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.058 0.543 . . . . 74.13 110.711 174.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 35.7 mt -74.58 -45.65 43.89 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 122.971 0.509 . . . . 75.24 109.899 -178.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 42.7 mt -75.65 -38.48 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.352 1.061 . . . . 73.01 110.464 -176.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 101.62 31.87 5.33 Favored Glycine 0 C--N 1.348 1.203 0 CA-C-N 116.112 -0.495 . . . . 53.04 112.629 -177.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.639 ' HB3' ' HA ' ' A' ' 106' ' ' VAL . 93.5 mt-30 -92.01 -12.84 32.13 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.027 1.331 . . . . 62.23 112.087 177.562 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.8 m -66.82 141.56 17.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 122.977 0.511 . . . . 74.31 110.306 171.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -109.81 170.88 7.78 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.033 0.533 . . . . 73.12 109.598 172.234 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -80.15 -8.78 59.58 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.951 0.9 . . . . 71.4 111.824 -170.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -127.28 141.35 51.74 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.173 0.989 . . . . 63.42 109.068 176.234 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.15 129.44 4.79 Favored Glycine 0 CA--C 1.534 1.26 0 CA-C-O 119.163 -0.798 . . . . 31.34 112.941 176.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -73.51 -31.76 8.56 Favored 'Trans proline' 0 C--N 1.379 2.154 0 C-N-CA 122.594 2.196 . . . . 64.15 111.303 174.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.531 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 31.6 p -148.68 -76.07 0.17 Allowed 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 107.568 -1.271 . . . . 73.01 107.568 171.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 52.28 -83.09 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 124.657 1.183 . . . . 73.44 112.28 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -153.17 43.27 0.63 Allowed Glycine 0 C--N 1.347 1.139 0 N-CA-C 111.667 -0.573 . . . . 54.23 111.667 178.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 102' ' ' SER . 62.2 mt -69.98 174.78 4.96 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.167 0.587 . . . . 64.51 110.382 174.309 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.639 ' HA ' ' HB3' ' A' ' 95' ' ' GLN . 57.8 t 70.5 98.52 0.04 OUTLIER Pre-proline 0 N--CA 1.478 0.949 0 C-N-CA 124.764 1.226 . . . . 73.34 109.857 -173.41 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -62.12 113.47 1.9 Allowed 'Trans proline' 0 C--N 1.38 2.192 0 C-N-CA 122.814 2.342 . . . . 72.11 110.566 172.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -71.23 114.67 9.53 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.219 0.608 . . . . 73.53 111.378 -174.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -81.38 -98.9 0.4 Allowed Glycine 0 C--N 1.349 1.3 0 O-C-N 123.767 0.667 . . . . 55.42 111.843 176.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.9 p -161.17 91.87 0.88 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.018 0.527 . . . . 73.43 110.967 -177.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 71.68 -177.09 38.18 Favored Glycine 0 C--N 1.35 1.312 0 CA-C-N 115.812 -0.631 . . . . 60.21 113.982 176.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 64.9 -114.2 6.56 Favored Glycine 0 C--N 1.348 1.207 0 C-N-CA 123.143 0.401 . . . . 51.02 112.568 179.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 10.5 tt -62.76 -34.09 63.71 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 C-N-CA 123.514 0.726 . . . . 45.52 111.378 175.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.13 -48.97 79.48 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 123.344 0.658 . . . . 64.13 109.349 175.548 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -61.03 -44.47 98.15 Favored Glycine 0 C--N 1.351 1.37 0 O-C-N 124.307 1.004 . . . . 73.2 112.179 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 54.2 ttp -55.47 -53.68 53.29 Favored 'General case' 0 C--N 1.352 0.674 0 C-N-CA 123.943 0.897 . . . . 75.24 110.955 178.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 29.0 p -67.61 -48.31 67.15 Favored 'General case' 0 C--N 1.345 0.398 0 O-C-N 123.772 0.67 . . . . 74.32 111.657 -173.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 14.5 t -64.02 -40.23 95.87 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 123.156 0.285 . . . . 75.25 111.426 -177.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -69.94 -39.26 76.17 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 123.255 0.347 . . . . 64.41 110.728 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1005 ' ' LEU . . . . . 0.589 ' HA ' ' HB3' ' A' 1008 ' ' TRP . 39.4 mt -77.16 -22.78 51.97 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 118.684 -0.674 . . . . 71.45 112.664 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 27.8 p -78.92 -42.51 26.92 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-N 119.273 0.942 . . . . 74.04 109.834 175.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -57.36 -40.05 77.28 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 115.816 -0.629 . . . . 61.34 110.276 169.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1008 ' ' TRP . . . . . 0.589 ' HB3' ' HA ' ' A' 1005 ' ' LEU . 1.2 t-105 -61.16 -53.52 55.95 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 114.712 -1.131 . . . . 73.3 110.799 175.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1009 ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' 1005 ' ' LEU . 88.4 mt -62.29 -39.14 92.01 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.259 0.624 . . . . 75.53 111.469 -175.353 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 13.0 t -74.14 -30.05 62.1 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 122.888 0.117 . . . . 64.4 110.943 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -74.45 -29.41 61.46 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 122.83 0.452 . . . . 72.42 110.808 175.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1012 ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' 1008 ' ' TRP . 21.4 mt -69.1 -48.34 62.85 Favored 'General case' 0 C--N 1.359 0.986 0 N-CA-C 109.073 -0.714 . . . . 75.54 109.073 174.168 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 33.3 t70 -58.4 -40.7 83.14 Favored 'General case' 0 C--O 1.246 0.892 0 CA-C-N 114.561 -1.2 . . . . 74.33 110.148 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 8.0 t30 -62.7 -48.63 78.42 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.578 1.151 . . . . 74.43 110.823 176.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 67.2 t80 -60.28 -59.48 5.33 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 123.287 0.635 . . . . 64.31 110.235 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -46.63 -56.8 5.53 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.459 1.503 . . . . 74.24 110.737 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -61.29 -53.82 51.86 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 124.027 0.829 . . . . 53.2 111.85 -175.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -71.84 -25.06 61.82 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.274 0.629 . . . . 61.3 111.911 -173.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1019 ' ' MET . . . . . 0.597 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.6 OUTLIER -88.43 -19.3 26.72 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 110.501 -0.185 . . . . 74.45 110.501 179.133 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -75.49 -25.02 56.96 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 109.339 -0.615 . . . . 71.04 109.339 165.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 92.8 mt -75.08 -31.04 61.11 Favored 'General case' 0 C--N 1.358 0.971 0 CA-C-O 118.377 -0.82 . . . . 72.2 111.552 171.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1022 ' ' LEU . . . . . 0.597 ' HG ' ' HA ' ' A' 1019 ' ' MET . 61.0 mt -48.02 105.7 0.52 Allowed Pre-proline 0 N--CA 1.505 2.295 0 O-C-N 123.743 0.652 . . . . 72.01 111.958 174.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -96.77 15.46 0.8 Allowed 'Trans proline' 0 C--N 1.375 1.958 0 C-N-CA 123.048 2.498 . . . . 73.22 112.042 176.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -80.91 -66.0 0.94 Allowed 'General case' 0 C--N 1.35 0.615 0 C-N-CA 123.603 0.761 . . . . 63.2 110.09 -177.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1025 ' ' VAL . . . . . . . . . . . . . 39.1 t . . . . . 0 C--O 1.249 1.044 0 N-CA-C 108.827 -0.805 . . . . 65.01 108.827 -179.751 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ttt . . . . . 0 N--CA 1.481 1.101 0 CA-C-O 119.627 -0.225 . . . . 72.55 111.012 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.9 t -63.4 -39.52 94.73 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-N 118.425 0.557 . . . . 63.22 111.829 -174.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.8 p -67.08 -37.94 84.87 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.1 0.56 . . . . 74.13 111.13 176.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.1 m -59.59 -47.5 85.32 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.52 1.128 . . . . 64.34 110.784 174.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.8 t -64.32 -47.46 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 115.804 -0.635 . . . . 65.24 110.298 -178.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -52.1 -59.92 3.81 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 123.862 0.726 . . . . 75.25 110.175 176.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.695 ' HZ ' HG21 ' A' 1025 ' ' VAL . 27.8 t80 -58.62 -59.2 5.77 Favored 'General case' 0 CA--C 1.556 1.208 0 CA-C-N 114.994 -1.003 . . . . 71.4 111.82 -172.074 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.593 HD11 HG12 ' A' ' 60' ' ' ILE . 71.0 mt -63.42 -47.73 90.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 123.588 0.755 . . . . 74.34 111.607 -175.217 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -72.15 -30.49 65.06 Favored 'General case' 0 N--CA 1.485 1.308 0 O-C-N 123.31 0.381 . . . . 63.22 111.554 -172.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.507 ' O ' HG13 ' A' ' 14' ' ' ILE . 95.2 mtt180 -71.57 -46.62 58.89 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 119.185 -0.436 . . . . 75.54 110.235 174.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 59.5 m95 -59.75 -37.51 79.19 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-O 120.769 0.319 . . . . 63.13 111.356 175.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -66.21 -41.62 89.88 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.954 0.902 . . . . 70.5 109.997 177.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -62.04 -42.3 99.03 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.878 0.871 . . . . 75.13 110.761 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.554 HG22 ' OG1' ' A' ' 71' ' ' THR . 59.8 mt -68.74 -38.71 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.416 0.686 . . . . 63.32 110.209 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.52 -44.83 89.63 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 122.864 0.466 . . . . 74.3 111.18 178.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.5 mt -66.3 -44.19 84.15 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.555 0.742 . . . . 72.41 110.822 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 45.9 mt -64.11 -44.62 91.73 Favored 'General case' 0 C--O 1.212 -0.891 0 CA-C-N 115.842 -0.617 . . . . 73.25 110.162 178.205 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.7 t -65.0 -40.72 95.35 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.166 0.586 . . . . 65.34 111.442 -175.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.502 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 13.5 pt20 -70.18 -39.99 74.94 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 123.408 0.443 . . . . 74.31 110.514 178.44 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.451 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 65.5 m -61.73 -52.5 64.02 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 123.326 0.391 . . . . 73.15 110.268 177.167 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.581 HD13 ' HH2' ' A' 1008 ' ' TRP . 65.0 mt -62.31 -34.24 76.22 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.766 1.226 . . . . 62.52 110.84 -179.098 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.8 tp -62.71 -50.97 69.02 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 123.462 0.477 . . . . 64.3 110.219 175.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.502 ' HG2' ' O ' ' A' ' 19' ' ' GLN . 19.5 mm-40 -58.5 -35.19 71.85 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 123.777 0.673 . . . . 74.51 111.083 178.047 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.527 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 88.7 mt -75.77 -30.9 59.3 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.717 0.807 . . . . 72.0 111.526 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.524 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -71.95 -35.32 69.54 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-O 121.109 0.48 . . . . 73.22 110.187 176.482 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -70.67 -38.53 73.78 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.26 -0.882 . . . . 72.45 109.86 175.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -73.31 -27.41 61.52 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.763 0.825 . . . . 54.44 111.281 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.53 17.1 53.75 Favored Glycine 0 C--N 1.341 0.828 0 CA-C-N 116.285 -0.416 . . . . 44.02 113.435 -175.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.527 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 22.5 mm-40 -76.94 71.41 3.45 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.535 0.734 . . . . 73.41 110.452 171.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.403 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 27.6 m95 -67.29 -31.98 72.66 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 115.666 -0.697 . . . . 73.12 110.091 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -66.02 -38.73 89.18 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 114.894 -1.048 . . . . 62.13 111.179 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.1 mt -74.7 -27.02 60.21 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 122.927 0.491 . . . . 73.32 111.235 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 74.3 mt -63.72 -45.38 90.24 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 109.435 -0.58 . . . . 51.24 109.435 170.195 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.473 HD21 ' HG ' ' A' 1005 ' ' LEU . 88.4 mt -68.28 -33.46 74.4 Favored 'General case' 0 N--CA 1.481 1.097 0 O-C-N 123.931 0.769 . . . . 33.24 112.216 178.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -68.4 -51.94 38.48 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 121.706 0.765 . . . . 73.33 109.994 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.436 ' HB2' HD21 ' A' ' 21' ' ' LEU . 83.2 mt-30 -85.43 -8.52 58.35 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.817 1.247 . . . . 74.22 112.448 -176.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.444 ' HG3' ' CE3' ' A' 1008 ' ' TRP . 35.7 tt0 -43.7 -54.79 4.81 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.7 1.2 . . . . 75.05 112.106 175.158 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 31.4 t -61.28 -36.69 74.54 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 O-C-N 124.126 0.891 . . . . 71.34 111.132 -177.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.4 t -68.48 -41.52 80.01 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.067 0.947 . . . . 44.12 111.878 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -72.45 -43.93 63.09 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.07 0.548 . . . . 74.34 110.496 -175.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.4 mt -68.43 -32.42 72.44 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 115.399 -0.819 . . . . 63.53 110.192 178.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -60.37 -54.6 43.72 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.451 0.7 . . . . 62.43 110.747 173.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.7 p -61.9 -37.14 83.48 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 123.948 0.78 . . . . 61.15 111.563 -177.228 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.7 mt -61.65 -50.91 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.767 0.827 . . . . 60.42 111.219 174.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -60.19 -46.49 89.54 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 123.776 0.672 . . . . 64.2 110.518 -177.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.402 HG23 ' HD3' ' A' ' 10' ' ' ARG . 14.9 t -74.79 -29.48 61.12 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 115.603 -0.726 . . . . 62.33 112.226 -173.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.8 p -77.27 -37.25 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 CA-C-N 118.665 0.666 . . . . 73.1 110.688 177.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 46.8 ttm -74.53 -26.17 59.81 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 109.421 -0.585 . . . . 75.45 109.421 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -63.93 -35.02 79.28 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 115.268 -0.878 . . . . 63.45 110.597 168.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -84.05 81.0 8.98 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 121.42 0.629 . . . . 63.33 109.405 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -86.28 106.86 17.65 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.369 -0.832 . . . . 63.51 109.152 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 67.4 p -99.64 149.39 35.86 Favored Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 123.47 0.708 . . . . 64.53 110.346 176.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -58.41 157.28 27.2 Favored 'Trans proline' 0 C--N 1.382 2.302 0 C-N-CA 123.026 2.484 . . . . 73.43 113.003 178.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -50.83 -46.56 29.72 Favored 'Trans proline' 0 C--N 1.384 2.412 0 C-N-CA 123.81 3.006 . . . . 72.25 112.461 175.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -66.83 90.29 0.16 Allowed Glycine 0 C--N 1.345 1.042 0 CA-C-N 114.986 -1.006 . . . . 31.15 111.922 174.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.1 tp -123.25 135.34 63.52 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.947 0 N-CA-C 107.636 -1.246 . . . . 43.31 107.636 175.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.0 t -66.5 160.44 25.08 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.429 0.692 . . . . 63.44 112.123 -167.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -53.41 -45.44 69.35 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 124.844 1.258 . . . . 74.22 113.067 -171.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.5 m -58.14 -57.34 13.29 Favored 'General case' 0 C--O 1.25 1.091 0 C-N-CA 123.188 0.595 . . . . 71.34 111.584 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.593 HG12 HD11 ' A' ' 8' ' ' ILE . 61.5 mt -63.37 -47.36 92.28 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 CA-C-N 115.023 -0.989 . . . . 74.43 110.617 -178.262 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -56.49 -46.16 80.63 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.133 0.973 . . . . 71.52 111.574 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -66.54 -51.97 50.74 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.309 0.644 . . . . 71.22 111.026 -178.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 74.3 mtm -59.96 -47.35 86.17 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 123.599 0.562 . . . . 73.34 110.706 -178.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 37.0 t -66.95 -35.4 74.61 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.82 0 C-N-CA 124.088 0.955 . . . . 64.43 111.219 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.67 -34.21 77.77 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.748 0.419 . . . . 73.34 110.608 175.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.97 -46.87 90.35 Favored Glycine 0 C--N 1.351 1.385 0 CA-C-N 114.806 -1.088 . . . . 74.44 111.535 172.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -67.47 -34.43 77.16 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.431 0.692 . . . . 75.31 111.669 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 15.3 mt -68.7 -56.87 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 124.501 1.121 . . . . 61.52 110.137 -178.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -68.92 -27.21 65.56 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 119.41 -0.328 . . . . 70.54 111.357 -178.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -64.05 -59.39 4.52 Favored 'General case' 0 C--N 1.358 0.977 0 N-CA-C 109.439 -0.578 . . . . 72.41 109.439 172.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.554 ' OG1' HG22 ' A' ' 14' ' ' ILE . 12.5 t -65.6 -32.27 73.76 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 123.506 0.504 . . . . 52.21 111.7 -174.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 26.3 mt -69.52 -47.67 63.0 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.398 0.436 . . . . 65.52 110.755 177.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -59.41 -44.79 92.79 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-O 121.487 0.661 . . . . 34.45 110.708 178.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.439 HD22 ' N ' ' A' ' 74' ' ' ASN . 0.8 OUTLIER -75.19 -35.42 61.54 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 114.649 -1.16 . . . . 74.54 110.524 -173.778 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.598 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 31.9 tt0 -79.37 -24.42 42.66 Favored 'General case' 0 N--CA 1.482 1.141 0 O-C-N 123.752 0.657 . . . . 65.35 110.713 176.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -67.26 -47.48 70.61 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 108.714 -0.846 . . . . 74.44 108.714 174.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.8 mt -63.53 -39.06 93.44 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 114.4 -1.273 . . . . 75.25 110.751 174.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.598 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 13.9 mt -57.73 -63.43 1.25 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.353 0.661 . . . . 74.43 110.886 174.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.3 pptp? -66.09 -28.97 69.23 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 123.415 0.447 . . . . 72.13 111.494 -171.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.28 -51.19 34.0 Favored Glycine 0 C--N 1.351 1.381 0 O-C-N 123.714 0.634 . . . . 75.32 112.141 175.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.524 HD22 ' HB1' ' A' ' 25' ' ' ALA . 8.5 tt -60.71 -45.85 92.64 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.094 0.958 . . . . 74.44 110.452 178.561 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.638 HD13 ' HE1' ' A' 1008 ' ' TRP . 53.5 mt -75.4 -36.4 60.87 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.352 1.061 . . . . 71.44 111.337 -171.571 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.1 tm0? -62.19 -51.26 68.54 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 108.372 -0.973 . . . . 62.21 108.372 172.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -55.92 -41.78 75.11 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 124.214 0.946 . . . . 74.03 111.364 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -65.12 -51.93 58.37 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.996 0.918 . . . . 70.4 109.828 -177.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.591 HD11 ' HB3' ' A' 1005 ' ' LEU . 92.4 mt -71.73 -26.28 62.41 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.161 0.584 . . . . 71.32 112.023 -177.632 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -70.82 -47.84 57.26 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.005 0.922 . . . . 71.51 108.62 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.546 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 10.2 mm-40 -58.79 -53.54 57.22 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-N 114.689 -1.141 . . . . 70.32 110.187 172.121 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 76.4 mt -53.34 -39.19 63.93 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 124.126 0.971 . . . . 74.21 112.035 178.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 73.9 m -64.57 -44.52 90.43 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 109.784 -0.45 . . . . 71.22 109.784 176.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 35.6 t -67.83 -26.13 65.9 Favored 'General case' 0 CA--C 1.558 1.264 0 C-N-CA 123.511 0.724 . . . . 72.02 112.407 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 68.2 mt -82.17 -44.09 16.87 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.233 0.613 . . . . 63.32 110.71 -178.248 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 85.4 mt -77.63 -42.49 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 123.866 0.866 . . . . 74.13 110.62 -174.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.4 106.64 0.3 Allowed Glycine 0 C--N 1.337 0.627 0 N-CA-C 111.014 -0.834 . . . . 52.52 111.014 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -67.49 80.02 0.17 Allowed 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.045 0.938 . . . . 70.42 111.228 -173.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.506 HG12 ' H ' ' A' ' 97' ' ' LEU . 7.9 t -128.83 -177.13 1.81 Allowed 'Isoleucine or valine' 0 CA--C 1.561 1.393 0 N-CA-C 106.277 -1.749 . . . . 71.5 106.277 178.161 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.506 ' H ' HG12 ' A' ' 96' ' ' VAL . 41.5 mt -56.94 89.73 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 119.222 0.919 . . . . 72.22 111.37 173.57 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.39 153.14 5.73 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.358 1.463 . . . . 73.43 112.336 176.331 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 58.36 64.56 1.45 Allowed 'General case' 0 CA--C 1.556 1.204 0 CA-C-O 122.319 1.056 . . . . 65.34 109.013 -167.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -119.63 81.83 0.33 Allowed Glycine 0 C--N 1.342 0.913 0 CA-C-N 114.668 -1.151 . . . . 54.25 110.888 177.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -74.99 -9.66 20.89 Favored 'Trans proline' 0 C--N 1.378 2.09 0 C-N-CA 122.795 2.33 . . . . 51.13 113.194 -176.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 77.7 p -111.62 11.2 21.16 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.828 0.851 . . . . 74.44 110.964 -178.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -138.98 140.85 38.33 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.511 0.725 . . . . 73.22 110.162 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -82.38 72.83 2.74 Favored Glycine 0 C--N 1.349 1.303 0 O-C-N 123.64 0.588 . . . . 65.23 111.996 177.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 62.8 mt -67.43 -44.79 77.87 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.08 0.952 . . . . 74.11 110.561 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.465 ' HB ' HD12 ' A' ' 113' ' ' ILE . 24.7 m -90.12 141.43 27.83 Favored Pre-proline 0 CA--C 1.55 0.961 0 CA-C-N 114.495 -1.23 . . . . 60.22 109.131 179.032 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -51.07 159.77 2.41 Favored 'Trans proline' 0 C--N 1.376 1.983 0 C-N-CA 122.961 2.441 . . . . 65.21 113.584 168.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.473 ' HA ' ' HB2' ' A' ' 114' ' ' GLU . 4.1 mpt_? -70.87 -59.31 2.87 Favored 'General case' 0 C--O 1.248 0.984 0 CA-C-N 116.046 -0.525 . . . . 71.44 110.521 -178.119 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 62.68 48.23 83.05 Favored Glycine 0 C--N 1.35 1.312 0 N-CA-C 110.986 -0.846 . . . . 64.1 110.986 -171.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 89.3 p 57.86 -71.82 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 126.455 1.902 . . . . 64.02 110.917 -165.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -150.3 37.52 0.92 Allowed Glycine 0 C--N 1.346 1.134 0 N-CA-C 111.108 -0.797 . . . . 65.02 111.108 172.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -81.36 -100.22 0.38 Allowed Glycine 0 C--N 1.348 1.202 0 O-C-N 123.985 0.462 . . . . 64.4 112.451 -174.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.465 HD12 ' HB ' ' A' ' 106' ' ' VAL . 34.5 pt -68.01 -31.0 50.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 122.805 0.442 . . . . 72.41 111.157 -178.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.473 ' HB2' ' HA ' ' A' ' 108' ' ' ARG . 26.3 tt0 -61.17 -46.09 91.93 Favored 'General case' 0 C--N 1.361 1.098 0 N-CA-C 109.344 -0.613 . . . . 70.22 109.344 172.281 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.401 ' O ' ' HG3' ' A' 1004 ' ' ARG . . . -57.52 -52.23 53.06 Favored Glycine 0 C--N 1.353 1.476 0 O-C-N 123.831 0.707 . . . . 52.42 112.255 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 47.9 ttp -55.15 -51.87 65.11 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.267 1.027 . . . . 75.1 111.798 177.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 41.3 p -66.19 -39.6 89.8 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 116.207 -0.452 . . . . 71.0 111.529 -177.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1003 ' ' THR . . . . . 0.511 ' O ' ' HG2' ' A' 1007 ' ' ARG . 95.9 m -60.42 -49.52 77.26 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.284 0.634 . . . . 60.45 109.888 179.587 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1004 ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 115' ' ' GLY . 94.9 mtt180 -54.56 -53.16 58.25 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.973 0.796 . . . . 72.32 110.477 176.531 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1005 ' ' LEU . . . . . 0.591 ' HB3' HD11 ' A' ' 86' ' ' LEU . 51.0 mt -72.33 -22.05 61.23 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 113.376 0.88 . . . . 74.25 113.376 -174.537 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 32.6 p -80.62 -40.97 24.74 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 119.045 0.839 . . . . 60.41 110.387 177.117 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1007 ' ' ARG . . . . . 0.511 ' HG2' ' O ' ' A' 1003 ' ' THR . 35.0 mmt180 -64.46 -36.74 85.16 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-O 121.621 0.724 . . . . 62.42 109.657 173.295 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1008 ' ' TRP . . . . . 0.638 ' HE1' HD13 ' A' ' 82' ' ' LEU . 20.4 t-105 -61.27 -52.77 63.34 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.176 -1.375 . . . . 73.34 110.432 174.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1009 ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' 1005 ' ' LEU . 40.2 mt -64.65 -36.06 83.04 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.033 0.533 . . . . 71.34 112.341 -177.014 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 14.0 t -75.47 -27.88 59.02 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 117.66 0.209 . . . . 44.4 110.501 178.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -73.54 -32.99 64.49 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.846 0.458 . . . . 73.51 111.221 173.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1012 ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' 1008 ' ' TRP . 26.3 mt -68.3 -45.25 73.55 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 109.322 -0.622 . . . . 74.43 109.322 173.557 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 35.5 t70 -61.35 -37.43 83.3 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 114.623 -1.171 . . . . 51.4 110.401 178.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 8.7 t30 -63.02 -53.05 59.94 Favored 'General case' 0 C--N 1.349 0.554 0 O-C-N 124.33 1.019 . . . . 73.24 110.011 175.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 52.2 t80 -59.49 -60.67 3.47 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 123.705 0.628 . . . . 74.21 110.314 -178.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -44.53 -55.26 5.26 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.257 1.423 . . . . 63.14 112.646 176.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -64.37 -56.27 15.51 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.089 0.556 . . . . 74.32 112.323 -177.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1018 ' ' LYS . . . . . 0.523 ' HE2' ' HA ' ' A' 1018 ' ' LYS . 9.7 mmpt? -63.27 -39.63 95.13 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.266 0.626 . . . . 63.43 111.557 -175.266 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1019 ' ' MET . . . . . 0.534 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.0 OUTLIER -79.08 -22.66 44.94 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.056 -0.52 . . . . 62.23 110.68 -176.68 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -67.34 -36.7 81.97 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.52 0.328 . . . . 33.21 110.232 166.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 79.8 mt -77.41 -20.41 54.66 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 118.336 -0.84 . . . . 32.13 112.717 179.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1022 ' ' LEU . . . . . 0.534 ' HG ' ' HA ' ' A' 1019 ' ' MET . 47.4 mt -48.05 107.93 0.83 Allowed Pre-proline 0 N--CA 1.5 2.048 0 C-N-CA 123.413 0.685 . . . . 71.43 111.727 174.232 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -92.44 14.13 1.75 Allowed 'Trans proline' 0 C--N 1.377 2.059 0 C-N-CA 123.291 2.66 . . . . 73.11 111.947 -178.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -88.86 -71.54 0.59 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.586 0.754 . . . . 65.43 110.835 -174.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1025 ' ' VAL . . . . . 0.695 HG21 ' HZ ' ' A' ' 7' ' ' PHE . 21.2 t . . . . . 0 CA--C 1.555 1.16 0 C-N-CA 123.804 0.842 . . . . 37.49 110.017 -166.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 ptt? . . . . . 0 N--CA 1.487 1.403 0 N-CA-C 110.874 -0.047 . . . . 73.02 110.874 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.8 m -53.44 -46.15 69.73 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.113 0.965 . . . . 75.55 111.393 -179.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.462 ' HB2' ' HG3' ' A' ' 53' ' ' PRO . 77.3 p -62.11 -46.41 89.19 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.418 1.087 . . . . 75.44 111.643 179.329 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 78.2 m -56.24 -57.82 10.59 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 124.833 1.253 . . . . 74.21 111.176 178.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.5 t -58.16 -45.16 88.76 Favored 'Isoleucine or valine' 0 C--N 1.35 0.605 0 C-N-CA 123.576 0.75 . . . . 62.55 110.775 -178.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.0 -55.66 31.32 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 115.762 -0.654 . . . . 70.3 110.5 -176.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -59.84 -52.22 66.36 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 124.821 1.249 . . . . 73.44 111.493 -175.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.472 HG23 ' HE1' ' A' ' 67' ' ' TYR . 93.1 mt -61.46 -50.5 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 123.681 0.792 . . . . 71.11 111.176 -177.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -67.73 -32.73 73.56 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.158 0.583 . . . . 71.02 111.741 -173.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.439 ' O ' HG13 ' A' ' 14' ' ' ILE . 99.2 mtt180 -66.92 -52.86 38.02 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 109.857 -0.423 . . . . 74.3 109.857 174.726 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -59.67 -35.11 73.8 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 112.04 0.385 . . . . 64.11 112.04 177.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.436 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 47.2 tt0 -63.05 -50.38 70.85 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.968 0.907 . . . . 74.51 109.858 179.262 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.3 tpt180 -55.44 -45.94 76.78 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 124.607 1.192 . . . . 72.53 110.415 177.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 10' ' ' ARG . 80.7 mt -63.36 -37.68 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 123.942 0.897 . . . . 64.35 111.232 -178.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.33 -42.3 93.04 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.038 0.535 . . . . 64.51 110.858 177.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 81.2 mt -70.26 -34.04 72.33 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.561 0.744 . . . . 52.33 111.003 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.592 HD13 ' HA ' ' A' ' 40' ' ' TYR . 80.1 mt -66.1 -60.39 2.86 Favored 'General case' 0 C--O 1.206 -1.219 0 C-N-CA 123.673 0.789 . . . . 72.43 109.301 177.136 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.1 p -57.27 -34.9 69.11 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.943 0.897 . . . . 52.33 111.953 -178.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -62.73 -54.08 44.66 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.95 0.9 . . . . 61.02 111.406 175.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.546 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 73.2 p -63.82 -42.72 97.6 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.877 -0.601 . . . . 73.44 110.285 -178.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.51 HD23 HD12 ' A' ' 24' ' ' LEU . 98.7 mt -63.43 -38.66 92.0 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.329 1.451 . . . . 61.55 110.967 179.138 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.455 HD22 ' HA ' ' A' ' 74' ' ' ASN . 48.4 tp -61.8 -47.52 84.76 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 123.631 0.582 . . . . 54.44 109.54 176.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.485 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 38.5 tt0 -59.14 -40.97 87.12 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 124.46 1.1 . . . . 65.42 110.467 178.212 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 20' ' ' SER . 91.3 mt -58.7 -49.36 77.85 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.227 0.611 . . . . 74.12 110.165 178.286 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.57 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -63.6 -35.85 81.87 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.439 0.695 . . . . 72.51 111.992 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -71.56 -28.17 63.67 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 123.59 0.756 . . . . 55.12 111.203 177.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 29.7 mmt180 -91.62 -19.45 22.69 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 123.511 0.724 . . . . 73.02 111.631 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.32 17.21 51.07 Favored Glycine 0 N--CA 1.474 1.178 0 N-CA-C 113.597 0.199 . . . . 72.13 113.597 -176.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -84.77 92.62 8.27 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.029 0.932 . . . . 64.13 110.463 174.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 29.7 m95 -89.74 -23.03 21.9 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.045 0.938 . . . . 75.31 111.793 -177.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -71.18 -52.78 17.27 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-N 117.628 0.195 . . . . 73.31 110.868 -177.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 68.1 mt -66.01 -25.1 66.92 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.032 0.133 . . . . 73.43 110.912 176.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.454 HD12 HD22 ' A' ' 21' ' ' LEU . 17.1 tp -65.55 -46.25 80.25 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 123.714 0.634 . . . . 54.34 109.926 175.685 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.3 mt -74.38 -25.41 59.47 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.951 0.9 . . . . 74.35 112.026 178.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -78.56 -40.95 33.34 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 121.551 0.691 . . . . 75.45 110.167 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -87.58 -10.09 52.52 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.511 1.124 . . . . 52.12 111.815 176.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -45.39 -60.24 2.26 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 124.207 1.003 . . . . 73.42 111.067 171.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.4 m -65.74 -29.08 45.85 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-N 114.633 -1.167 . . . . 75.41 112.083 -175.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.0 m -68.79 -44.84 72.77 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.384 0.674 . . . . 61.41 110.487 177.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.592 ' HA ' HD13 ' A' ' 17' ' ' LEU . 54.2 t80 -65.75 -47.41 75.35 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.189 0.996 . . . . 75.43 110.588 -178.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 76.7 mt -68.94 -34.47 75.41 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 123.924 0.765 . . . . 53.42 110.902 -177.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -62.91 -45.21 93.56 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 122.912 0.485 . . . . 64.41 110.776 174.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 42.1 m -64.52 -37.0 86.02 Favored 'General case' 0 CA--C 1.551 1.015 0 CA-C-N 115.615 -0.72 . . . . 50.53 111.306 179.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.0 mt -57.2 -50.85 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.521 1.128 . . . . 72.34 110.578 173.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 45.6 mt-10 -57.78 -56.1 26.32 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-N 114.658 -1.156 . . . . 74.14 110.545 -179.467 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.0 t -66.72 -33.14 74.98 Favored 'General case' 0 CA--C 1.55 0.943 0 O-C-N 123.415 0.447 . . . . 52.1 111.913 -172.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.7 p -74.4 -33.61 33.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 O-C-N 121.955 -0.465 . . . . 41.1 110.76 178.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 45.5 ttm -76.2 -22.04 55.75 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 116.043 -0.526 . . . . 63.32 110.116 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 23.6 mm-40 -76.03 -32.93 59.6 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.28 0.632 . . . . 71.5 110.392 170.261 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.406 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -74.54 102.18 4.43 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 109.407 -0.59 . . . . 54.23 109.407 179.201 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -63.19 134.04 55.3 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-N 115.105 -0.952 . . . . 71.31 109.8 173.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.2 m -70.67 137.46 85.7 Favored Pre-proline 0 CA--C 1.549 0.94 0 CA-C-N 115.34 -0.845 . . . . 74.24 109.57 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.462 ' HG3' ' HB2' ' A' ' 3' ' ' SER . 51.8 Cg_exo -54.87 152.94 26.87 Favored 'Trans proline' 0 C--N 1.381 2.267 0 C-N-CA 122.509 2.14 . . . . 71.14 112.693 175.597 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -58.42 -54.58 2.86 Favored 'Trans proline' 0 C--N 1.383 2.342 0 C-N-CA 123.289 2.659 . . . . 63.21 112.227 -178.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -86.22 67.89 3.42 Favored Glycine 0 C--N 1.343 0.965 0 CA-C-N 115.369 -0.832 . . . . 75.32 111.44 175.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.517 HG13 ' HB2' ' A' ' 61' ' ' GLN . 8.2 tp -71.88 87.11 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 CA-C-O 122.218 1.009 . . . . 44.12 108.628 175.074 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.8 t -63.57 155.6 29.07 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 114.315 -1.311 . . . . 63.44 112.046 -175.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.623 HH21 ' HB3' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -52.66 -40.06 62.47 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.512 1.125 . . . . 75.32 111.637 -173.055 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 59.5 p -59.95 -57.29 13.49 Favored 'General case' 0 C--O 1.25 1.083 0 C-N-CA 123.434 0.694 . . . . 70.12 111.657 -178.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.1 mt -61.09 -54.07 40.45 Favored 'Isoleucine or valine' 0 C--N 1.359 1.004 0 C-N-CA 123.392 0.677 . . . . 54.33 109.278 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.517 ' HB2' HG13 ' A' ' 56' ' ' ILE . 55.5 tt0 -52.16 -40.84 61.98 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.758 1.223 . . . . 60.15 112.291 -177.691 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.623 ' HB3' HH21 ' A' ' 58' ' ' ARG . 34.2 t70 -77.87 -38.74 45.29 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.381 0.672 . . . . 74.54 111.633 -175.526 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 63.4 mtm -65.94 -45.58 81.3 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 109.835 -0.432 . . . . 73.11 109.835 175.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.8 t -61.86 -41.49 90.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 124.68 1.192 . . . . 62.12 110.745 175.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' A' ' 69' ' ' LYS . . . -64.95 -31.98 73.48 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 122.96 0.504 . . . . 73.01 109.944 176.554 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.04 -45.66 95.1 Favored Glycine 0 C--N 1.35 1.355 0 N-CA-C 111.472 -0.651 . . . . 71.24 111.472 173.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.472 ' HE1' HG23 ' A' ' 8' ' ' ILE . 16.0 m-85 -69.2 -32.34 71.54 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.206 0.602 . . . . 62.1 111.471 178.336 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.421 HD12 HG11 ' A' 1025 ' ' VAL . 17.0 mt -69.74 -46.69 73.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.396 1.079 . . . . 75.24 110.286 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 14.6 mmmm -71.84 -31.88 66.95 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.541 -0.299 . . . . 71.1 110.615 179.562 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -56.87 -59.41 5.08 Favored 'General case' 0 C--N 1.358 0.951 0 O-C-N 123.78 0.675 . . . . 64.13 109.408 169.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.4 t -69.81 -34.87 74.28 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 115.947 -0.569 . . . . 70.11 111.965 -169.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 53.3 mt -72.55 -36.89 68.36 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 122.957 0.503 . . . . 63.4 111.67 178.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -72.73 -45.54 58.19 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-O 121.058 0.456 . . . . 75.43 109.957 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.455 ' HA ' HD22 ' A' ' 22' ' ' LEU . 11.5 m120 -66.86 -36.41 82.25 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.367 -0.833 . . . . 54.32 110.92 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.449 ' HG2' ' HD2' ' A' ' 79' ' ' LYS . 39.4 tt0 -70.72 -37.78 73.55 Favored 'General case' 0 C--O 1.209 -1.043 0 O-C-N 123.752 0.658 . . . . 64.13 110.295 175.475 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -64.03 -42.04 97.22 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 121.234 0.54 . . . . 43.0 110.233 -179.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.5 mt -68.52 -36.57 79.05 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.1 -0.955 . . . . 63.43 110.956 174.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.9 mt -59.07 -64.06 1.08 Allowed 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.498 0.719 . . . . 72.12 110.818 174.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.449 ' HD2' ' HG2' ' A' ' 75' ' ' GLU . 10.9 ptmt -65.71 -29.06 69.54 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.34 1.056 . . . . 74.0 111.187 -172.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.85 -62.77 5.38 Favored Glycine 0 C--N 1.352 1.444 0 O-C-N 124.085 0.866 . . . . 53.52 111.799 169.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.57 HD22 ' HB1' ' A' ' 25' ' ' ALA . 9.1 tt -56.76 -42.15 78.85 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.766 0.826 . . . . 53.41 110.885 -178.012 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 40.3 mt -71.2 -44.58 65.13 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 114.852 -1.067 . . . . 73.04 111.351 -173.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.418 ' HG3' ' N ' ' A' ' 84' ' ' GLN . 4.0 pt20 -67.8 -39.31 84.02 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 109.606 -0.516 . . . . 64.51 109.606 179.304 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.418 ' N ' ' HG3' ' A' ' 83' ' ' GLN . 20.2 mm-40 -59.1 -45.22 91.44 Favored 'General case' 0 C--N 1.361 1.106 0 O-C-N 123.88 0.737 . . . . 74.34 110.446 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.429 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 50.4 ttt-85 -72.24 -35.83 68.92 Favored 'General case' 0 C--O 1.212 -0.91 0 CA-C-N 115.09 -0.959 . . . . 63.02 110.269 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.453 HD11 ' HB3' ' A' 1005 ' ' LEU . 75.6 mt -69.41 -25.31 64.08 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-O 119.199 -0.429 . . . . 74.14 110.438 176.066 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -68.45 -44.23 75.35 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.587 0.755 . . . . 63.31 109.01 173.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.558 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 45.3 mm-40 -59.22 -60.75 3.36 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 115.08 -0.964 . . . . 74.41 110.06 175.63 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 86.0 mt -56.35 -40.5 74.6 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.196 1.398 . . . . 74.4 111.839 -176.665 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.813 ' HB2' HD12 ' A' ' 105' ' ' LEU . 93.4 p -71.91 -30.3 65.21 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 122.521 0.328 . . . . 61.32 110.86 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 46.6 t -75.53 -26.18 57.83 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.765 0.426 . . . . 64.22 111.372 171.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 68.3 mt -78.37 -42.21 31.08 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 122.782 0.433 . . . . 65.51 111.079 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.452 HG21 HG12 ' A' ' 106' ' ' VAL . 72.7 mt -82.82 -42.38 18.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 123.851 0.861 . . . . 61.53 109.596 -178.213 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -131.91 -138.92 4.25 Favored Glycine 0 C--N 1.348 1.211 0 CA-C-N 115.706 -0.679 . . . . 72.34 111.803 -177.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -136.88 125.72 24.1 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 108.269 -1.012 . . . . 64.22 108.269 176.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 90.6 t -72.05 117.56 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.238 0.615 . . . . 74.14 109.603 176.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.9 mp -74.66 -41.69 59.85 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.155 0.582 . . . . 62.21 111.349 -179.135 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -157.16 -42.65 0.07 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.99 0.916 . . . . 72.55 110.007 -176.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.414 ' HB3' ' HB2' ' A' ' 102' ' ' SER . 6.3 tp-100 -144.7 128.11 16.92 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 107.096 -1.446 . . . . 44.24 107.096 178.43 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -55.27 -63.94 4.82 Favored Glycine 0 C--N 1.351 1.385 0 CA-C-O 119.246 -0.752 . . . . 32.02 113.918 -176.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -53.46 -41.14 75.52 Favored 'Trans proline' 0 C--N 1.379 2.16 0 C-N-CA 123.497 2.798 . . . . 71.31 114.576 175.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.414 ' HB2' ' HB3' ' A' ' 99' ' ' GLN . 17.8 m -88.72 -6.99 57.07 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 113.09 0.774 . . . . 74.12 113.09 -171.651 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -72.44 -30.22 64.41 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-O 120.781 0.324 . . . . 75.24 110.547 177.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 71.9 53.79 9.07 Favored Glycine 0 C--N 1.35 1.348 0 CA-C-N 115.442 -0.799 . . . . 53.15 111.328 -176.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.813 HD12 ' HB2' ' A' ' 90' ' ' SER . 87.2 mt -82.37 -170.86 3.14 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.571 0.749 . . . . 75.34 110.894 178.738 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.452 HG12 HG21 ' A' ' 93' ' ' ILE . 27.4 m 46.5 64.34 8.42 Favored Pre-proline 0 CA--C 1.566 1.564 0 C-N-CA 125.742 1.617 . . . . 71.14 112.495 -171.111 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -63.37 -42.73 20.73 Favored 'Trans proline' 0 C--N 1.391 2.815 0 C-N-CA 123.039 2.492 . . . . 72.13 111.878 -176.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -86.55 114.56 23.38 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 108.661 -0.866 . . . . 72.33 108.661 175.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -71.94 85.57 0.47 Allowed Glycine 0 C--N 1.342 0.9 0 O-C-N 123.887 0.742 . . . . 53.13 113.825 -174.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 32.1 t -86.68 74.38 9.85 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 123.413 0.685 . . . . 72.44 110.316 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 48.8 -99.15 0.02 OUTLIER Glycine 0 C--N 1.351 1.413 0 C-N-CA 125.174 1.368 . . . . 72.23 116.334 168.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -66.12 -47.88 69.46 Favored Glycine 0 C--N 1.355 1.6 0 C-N-CA 123.723 0.678 . . . . 64.33 113.969 -173.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 42.6 pt -68.28 -31.81 53.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 CA-C-N 117.014 0.407 . . . . 70.14 110.772 -179.066 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -62.72 -58.91 5.81 Favored 'General case' 0 C--N 1.351 0.637 0 N-CA-C 109.197 -0.668 . . . . 73.24 109.197 177.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -53.21 -48.56 58.89 Favored Glycine 0 C--N 1.352 1.441 0 O-C-N 124.332 1.02 . . . . 73.24 112.641 178.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 48.7 ttp -53.63 -58.68 6.31 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.707 0.803 . . . . 73.41 111.276 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 62.9 p -66.16 -54.06 29.93 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 116.274 -0.421 . . . . 65.22 111.42 -174.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 66.6 p -61.46 -43.55 98.67 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.019 0.528 . . . . 71.33 111.821 -173.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -70.5 -44.05 68.43 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 123.362 0.414 . . . . 71.5 111.053 -178.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1005 ' ' LEU . . . . . 0.538 ' O ' ' HG ' ' A' 1009 ' ' LEU . 40.3 mt -66.07 -39.17 89.86 Favored 'General case' 0 C--N 1.357 0.923 0 O-C-N 123.264 0.352 . . . . 71.21 111.675 178.685 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 66.5 p -69.27 -38.56 78.46 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 118.14 0.427 . . . . 73.41 110.86 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -65.87 -35.2 79.98 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.398 0.679 . . . . 73.32 110.392 173.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1008 ' ' TRP . . . . . 0.555 ' O ' ' HG ' ' A' 1012 ' ' LEU . 0.3 OUTLIER -65.58 -41.34 92.98 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 114.916 -1.038 . . . . 72.24 109.658 175.877 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1009 ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' 1005 ' ' LEU . 88.6 mt -71.65 -30.82 66.16 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.145 0.578 . . . . 74.05 109.571 -178.351 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 64.9 m -64.85 -44.81 88.57 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.44 1.096 . . . . 53.4 110.167 173.221 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -71.48 -29.13 64.48 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.54 0.736 . . . . 41.02 111.468 179.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1012 ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' 1008 ' ' TRP . 22.7 mt -70.04 -44.13 69.85 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 109.268 -0.641 . . . . 52.35 109.268 176.399 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 31.0 t70 -62.27 -40.12 95.18 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.067 0.947 . . . . 73.4 110.492 178.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -62.37 -51.11 68.88 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 115.267 -0.879 . . . . 44.01 110.724 177.199 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 46.1 t80 -57.4 -60.44 3.63 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 123.973 0.795 . . . . 73.45 110.075 178.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -41.87 -54.88 3.27 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.637 1.575 . . . . 70.3 111.983 177.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1017 ' ' ALA . . . . . 0.409 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -60.76 -60.0 4.5 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 124.075 0.859 . . . . 64.11 112.468 -178.16 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -70.67 -30.58 67.22 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.283 0.633 . . . . 75.04 111.867 -170.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1019 ' ' MET . . . . . 0.495 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.0 OUTLIER -80.71 -28.22 36.72 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 116.229 -0.441 . . . . 71.15 110.025 -179.111 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -67.27 -37.13 82.96 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 109.359 -0.608 . . . . 64.23 109.359 168.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1021 ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' 1017 ' ' ALA . 91.7 mt -71.8 -23.28 61.53 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 118.43 -0.795 . . . . 74.24 112.315 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1022 ' ' LEU . . . . . 0.495 ' HG ' ' HA ' ' A' 1019 ' ' MET . 62.2 mt -46.68 107.78 0.75 Allowed Pre-proline 0 N--CA 1.494 1.752 0 O-C-N 123.727 0.642 . . . . 74.21 110.835 171.115 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -87.78 12.47 2.88 Favored 'Trans proline' 0 C--N 1.375 1.971 0 C-N-CA 122.728 2.285 . . . . 62.41 111.626 178.007 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -90.48 -26.91 19.56 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.55 1.14 . . . . 50.44 111.716 -176.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1025 ' ' VAL . . . . . 0.421 HG11 HD12 ' A' ' 68' ' ' ILE . 36.6 t . . . . . 0 C--O 1.252 1.229 0 N-CA-C 108.441 -0.948 . . . . 74.34 108.441 175.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 ttt . . . . . 0 N--CA 1.481 1.115 0 CA-C-O 119.378 -0.344 . . . . 71.11 111.389 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.1 p -57.5 -41.25 80.39 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 118.685 0.675 . . . . 72.25 111.264 179.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.2 t -59.37 -46.97 87.18 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.369 0.668 . . . . 75.41 110.553 174.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.3 m -57.74 -54.33 48.05 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.382 1.073 . . . . 50.41 111.891 178.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 84.8 t -59.09 -57.01 13.25 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 O-C-N 123.943 0.777 . . . . 73.34 109.842 -176.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -57.6 -45.03 85.82 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 123.801 0.688 . . . . 73.52 111.196 -178.144 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -60.26 -55.28 35.62 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.425 0.69 . . . . 73.35 111.157 -175.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.66 HD11 HG12 ' A' ' 60' ' ' ILE . 74.5 mt -64.16 -42.29 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 123.448 0.699 . . . . 74.32 111.088 -178.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -67.15 -37.2 83.37 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.047 0.539 . . . . 74.03 110.853 -177.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.55 ' HD3' HG23 ' A' ' 46' ' ' THR . 91.3 mtt180 -71.68 -47.76 51.97 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.704 0.402 . . . . 71.22 110.012 -179.536 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -57.93 -38.66 76.33 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 123.146 0.279 . . . . 71.41 111.121 174.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.469 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 57.8 tt0 -58.48 -57.73 11.64 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 123.795 0.685 . . . . 74.31 109.977 177.37 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.438 ' HG2' ' HA ' ' A' ' 10' ' ' ARG . 12.1 ptm180 -66.22 -25.92 67.14 Favored 'General case' 0 C--O 1.212 -0.879 0 O-C-N 123.644 0.59 . . . . 60.21 111.79 -175.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 10' ' ' ARG . 88.3 mt -70.15 -41.82 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 C-N-CA 123.176 0.59 . . . . 73.11 110.13 176.003 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.5 -41.26 89.13 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.65 0.38 . . . . 41.45 110.647 176.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 82.6 mt -66.51 -42.58 87.11 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.517 0.727 . . . . 62.0 110.393 179.301 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 40' ' ' TYR . 37.5 mt -67.05 -46.43 74.42 Favored 'General case' 0 C--O 1.207 -1.172 0 C-N-CA 123.076 0.551 . . . . 61.11 110.061 178.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.1 p -64.14 -38.96 92.96 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 117.867 0.303 . . . . 75.11 111.447 -176.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -76.48 -35.62 58.29 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 123.077 0.236 . . . . 71.53 111.463 -179.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 86.5 p -69.82 -50.95 37.89 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 109.695 -0.483 . . . . 64.13 109.695 178.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.465 HD13 ' HH2' ' A' 1008 ' ' TRP . 91.3 mt -57.89 -34.29 69.64 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.745 1.218 . . . . 74.42 111.303 174.204 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 36.6 tp -63.09 -50.36 70.84 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 110.131 -0.322 . . . . 73.24 110.131 175.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -65.77 -24.8 67.02 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 123.694 0.621 . . . . 73.33 111.319 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.451 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 97.0 mt -77.07 -33.36 57.13 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.581 0.752 . . . . 71.21 110.468 173.164 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.578 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -71.39 -31.0 66.79 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.111 0.564 . . . . 74.2 109.902 176.628 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -73.42 -36.91 66.04 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.984 0.914 . . . . 74.11 109.923 172.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.464 ' HB3' ' HG2' ' A' ' 29' ' ' GLU . 9.7 tpp180 -77.44 -17.36 58.16 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.825 0.85 . . . . 75.55 111.768 -178.575 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.09 18.08 65.75 Favored Glycine 0 C--N 1.348 1.198 0 CA-C-N 116.614 -0.267 . . . . 74.22 113.698 -178.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.464 ' HG2' ' HB3' ' A' ' 27' ' ' ARG . 28.5 mm-40 -79.85 69.49 6.21 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.086 0.954 . . . . 65.25 111.335 178.539 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 31.9 m95 -64.81 -32.07 73.59 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.71 0.804 . . . . 65.31 110.417 -177.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -63.11 -49.28 75.07 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.244 1.017 . . . . 74.43 110.859 177.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.4 mt -67.37 -30.39 70.17 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.022 0.529 . . . . 54.31 111.292 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 81.9 mt -64.71 -49.69 69.88 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 122.778 0.431 . . . . 73.52 110.498 174.108 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.558 HD21 ' HG ' ' A' 1005 ' ' LEU . 85.7 mt -73.3 -22.04 60.44 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.235 0.614 . . . . 71.53 112.385 -176.432 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -77.31 -50.83 11.98 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.281 0.562 . . . . 62.22 109.841 176.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.46 ' HB2' HD21 ' A' ' 21' ' ' LEU . 48.5 mt-30 -76.17 -9.77 58.89 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.441 1.096 . . . . 63.3 112.145 177.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -42.14 -60.62 1.39 Allowed 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.756 1.222 . . . . 64.15 112.025 176.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.1 p -59.4 -34.69 55.13 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 123.483 0.713 . . . . 65.22 111.574 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.9 m -73.07 -42.02 63.48 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.686 0.795 . . . . 73.43 112.129 -174.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.409 ' HA ' HD13 ' A' ' 17' ' ' LEU . 31.3 t80 -72.25 -42.19 65.92 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.245 0.618 . . . . 74.15 110.205 179.098 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.4 mt -67.73 -30.41 69.89 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 116.092 -0.504 . . . . 74.3 110.499 176.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -67.13 -46.29 74.56 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.522 0.729 . . . . 52.14 110.475 176.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.4 p -65.07 -38.75 91.8 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 116.364 -0.38 . . . . 74.31 110.887 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.6 mt -57.63 -58.53 5.79 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 124.201 1.0 . . . . 61.03 110.947 175.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.96 -37.47 87.55 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 115.707 -0.678 . . . . 64.31 110.837 -174.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.55 HG23 ' HD3' ' A' ' 10' ' ' ARG . 6.2 t -76.33 -30.53 57.71 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-O 119.283 -0.389 . . . . 64.03 111.767 -175.15 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.1 p -75.82 -29.43 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 CA-C-N 118.446 0.566 . . . . 64.44 110.081 175.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 39.0 ttm -78.11 -23.65 47.81 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 115.728 -0.669 . . . . 50.32 110.634 177.144 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -84.02 -16.36 44.21 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.405 0.682 . . . . 71.32 110.601 168.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.699 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.5 OUTLIER -91.28 68.18 5.88 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 108.394 -0.965 . . . . 74.45 108.394 173.353 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.1 pm0 -76.1 118.37 18.77 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 115.379 -0.828 . . . . 75.12 109.457 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 40.2 p -95.15 140.15 22.31 Favored Pre-proline 0 C--O 1.243 0.725 0 N-CA-C 109.267 -0.642 . . . . 54.35 109.267 171.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -61.35 157.11 42.28 Favored 'Trans proline' 0 C--N 1.374 1.894 0 C-N-CA 122.805 2.337 . . . . 72.15 112.171 178.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -42.21 -48.4 6.55 Favored 'Trans proline' 0 C--N 1.383 2.372 0 C-N-CA 124.624 3.549 . . . . 75.21 114.033 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -68.37 96.59 0.42 Allowed Glycine 0 C--N 1.346 1.123 0 CA-C-N 115.538 -0.755 . . . . 40.44 112.26 176.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.4 tp -130.7 135.66 59.84 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 C-N-CA 123.958 0.903 . . . . 63.55 108.566 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 t -70.0 159.3 34.04 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 122.758 0.423 . . . . 63.42 111.734 -172.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 44.8 mtm105 -54.1 -45.71 71.9 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.89 0.876 . . . . 75.2 112.125 -175.038 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.2 m -58.8 -54.91 41.8 Favored 'General case' 0 C--O 1.243 0.715 0 O-C-N 123.951 0.782 . . . . 73.03 111.352 -174.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.66 HG12 HD11 ' A' ' 8' ' ' ILE . 64.4 mt -61.25 -55.15 26.47 Favored 'Isoleucine or valine' 0 C--N 1.353 0.721 0 O-C-N 123.747 0.655 . . . . 72.32 109.746 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -55.01 -35.78 64.75 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.981 0.913 . . . . 73.31 111.741 -176.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -72.33 -58.26 3.54 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.208 0.603 . . . . 54.42 110.208 -179.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 75.1 mtm -56.43 -47.78 78.38 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 124.069 0.855 . . . . 73.51 110.376 -177.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.5 t -59.06 -48.06 87.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-N 114.57 -1.195 . . . . 75.22 111.435 176.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.12 -27.8 69.19 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 122.784 0.433 . . . . 74.52 111.701 178.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.07 -51.84 26.34 Favored Glycine 0 C--N 1.346 1.126 0 N-CA-C 111.156 -0.778 . . . . 72.12 111.156 174.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -61.72 -33.02 73.28 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.702 0.801 . . . . 74.42 111.126 177.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.424 HG23 ' HE1' ' A' 1019 ' ' MET . 14.2 mt -63.17 -57.73 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.013 1.325 . . . . 72.33 109.781 177.242 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -57.7 -46.14 84.75 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 123.94 0.775 . . . . 61.21 110.001 -177.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -55.94 -56.88 15.37 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 124.185 0.928 . . . . 62.3 110.889 178.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.3 t -67.11 -26.18 66.57 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 111.924 0.342 . . . . 74.15 111.924 -172.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.659 HD11 ' SD ' ' A' 1019 ' ' MET . 81.6 mt -76.16 -34.19 59.37 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.1 0.56 . . . . 63.21 111.553 176.6 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -72.87 -44.68 61.05 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-O 121.268 0.556 . . . . 73.51 110.222 175.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -71.06 -27.93 63.99 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.096 -0.956 . . . . 61.1 110.771 -179.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.47 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 37.7 tt0 -78.83 -36.46 42.52 Favored 'General case' 0 C--O 1.21 -1.026 0 C-N-CA 122.693 0.397 . . . . 73.13 110.157 174.32 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -57.38 -43.05 83.28 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-O 121.383 0.611 . . . . 75.34 109.422 173.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.3 mt -72.48 -36.61 68.49 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 114.652 -1.158 . . . . 75.42 111.844 176.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.47 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 6.1 mt -68.78 -65.23 0.73 Allowed 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 123.189 0.596 . . . . 72.33 110.196 177.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.545 ' HA ' HD22 ' A' 1009 ' ' LEU . 36.1 ttpt -54.29 -36.68 63.94 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.996 1.718 . . . . 53.43 111.737 178.549 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.74 -50.9 38.86 Favored Glycine 0 C--N 1.348 1.223 0 O-C-N 123.673 0.608 . . . . 75.4 113.452 175.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.578 HD22 ' HB1' ' A' ' 25' ' ' ALA . 10.0 tt -61.97 -52.56 63.51 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.872 0.869 . . . . 62.15 109.96 -178.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.402 HD13 ' HE1' ' A' 1008 ' ' TRP . 41.7 mt -62.04 -39.18 91.49 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 114.401 -1.272 . . . . 74.21 111.952 -178.202 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -64.74 -47.11 79.44 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 110.083 -0.34 . . . . 55.1 110.083 176.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -62.52 -36.21 81.86 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.839 0.712 . . . . 74.33 110.999 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.446 ' NH1' HD11 ' A' ' 89' ' ' LEU . 3.9 tmt_? -76.81 -31.77 57.17 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 115.24 -0.891 . . . . 71.52 109.384 -177.275 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.578 HD11 ' HB3' ' A' 1005 ' ' LEU . 86.3 mt -75.84 -30.13 58.84 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.235 0.614 . . . . 74.21 110.628 173.553 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -60.79 -46.46 90.41 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 108.014 -1.106 . . . . 74.12 108.014 173.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.559 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 33.8 tt0 -60.84 -60.56 3.59 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 114.05 -1.432 . . . . 63.33 110.469 179.76 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.474 HD12 HD23 ' A' ' 86' ' ' LEU . 91.9 mt -49.93 -53.28 27.19 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 123.997 0.919 . . . . 72.32 111.769 -178.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.525 ' HB3' HG23 ' A' ' 96' ' ' VAL . 50.1 m -69.32 -23.35 63.78 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 115.423 -0.808 . . . . 73.3 111.643 -175.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 46.8 t -76.69 -38.87 53.67 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.083 0.553 . . . . 70.13 111.429 172.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 35.4 mt -70.89 -40.88 71.96 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-O 121.36 0.6 . . . . 74.41 110.043 -176.59 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 71.9 mt -84.98 -48.36 16.5 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 CA-C-N 114.694 -1.139 . . . . 71.23 110.293 -177.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -124.61 -113.3 1.99 Allowed Glycine 0 C--N 1.353 1.5 0 CA-C-O 120.333 -0.148 . . . . 63.04 112.955 -174.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -154.86 -22.48 0.12 Allowed 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.999 0.919 . . . . 73.11 112.078 -175.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.525 HG23 ' HB3' ' A' ' 90' ' ' SER . 34.4 m -72.96 167.73 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 123.261 0.624 . . . . 71.54 111.441 178.572 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.0 mp -137.66 -67.42 0.48 Allowed 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.532 0.733 . . . . 74.54 109.733 -177.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.421 ' O ' HD21 ' A' ' 105' ' ' LEU . 33.6 p90 -114.61 154.08 28.98 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.622 1.169 . . . . 74.54 109.965 -175.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -60.56 126.78 28.73 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.289 1.036 . . . . 74.25 112.708 -171.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -74.37 154.68 47.88 Favored Glycine 0 CA--C 1.535 1.327 0 CA-C-O 118.228 -1.318 . . . . 45.22 111.566 167.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -55.2 94.58 0.04 OUTLIER 'Trans proline' 0 C--N 1.38 2.224 0 C-N-CA 123.563 2.842 . . . . 74.21 112.53 -176.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 85.8 p 53.99 21.13 2.73 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 126.514 1.926 . . . . 73.51 113.118 -174.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -86.51 -24.59 25.49 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.956 0.902 . . . . 71.45 110.237 173.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 71.24 -156.96 53.3 Favored Glycine 0 C--N 1.354 1.536 0 CA-C-N 115.617 -0.72 . . . . 44.34 111.853 -174.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.48 HD22 ' HB ' ' A' ' 96' ' ' VAL . 93.2 mt -132.97 -81.62 0.48 Allowed 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.805 0.842 . . . . 65.33 108.858 173.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 64.7 t -112.49 104.46 55.96 Favored Pre-proline 0 CA--C 1.546 0.814 0 N-CA-C 107.663 -1.236 . . . . 55.44 107.663 173.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -67.04 160.2 48.4 Favored 'Trans proline' 0 C--N 1.374 1.916 0 C-N-CA 123.003 2.468 . . . . 70.44 112.291 178.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 33.5 ptt180 -73.88 159.47 32.78 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.759 0.823 . . . . 65.31 110.913 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 176.42 -70.7 0.08 OUTLIER Glycine 0 C--N 1.339 0.696 0 N-CA-C 110.932 -0.867 . . . . 60.01 110.932 178.221 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 39.1 m -143.28 151.78 40.93 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.807 0.843 . . . . 70.33 110.443 178.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 76.58 154.19 5.46 Favored Glycine 0 C--N 1.347 1.143 0 CA-C-N 115.696 -0.684 . . . . 75.12 114.06 176.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -70.48 -13.21 70.83 Favored Glycine 0 C--N 1.345 1.064 0 CA-C-O 119.492 -0.615 . . . . 60.04 113.678 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.52 HG23 ' HG3' ' A' ' 114' ' ' GLU . 6.5 tt -64.02 -58.0 9.18 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 C-N-CA 123.063 0.545 . . . . 74.12 110.324 173.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.52 ' HG3' HG23 ' A' ' 113' ' ' ILE . 79.3 mt-10 -70.88 -33.48 70.64 Favored 'General case' 0 C--O 1.247 0.93 0 C-N-CA 124.109 0.964 . . . . 75.41 110.175 -174.156 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -61.53 -59.05 10.47 Favored Glycine 0 C--N 1.35 1.321 0 CA-C-N 114.82 -1.082 . . . . 33.04 112.169 174.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 37.6 ttp -54.32 -44.02 71.69 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.131 0.972 . . . . 65.51 111.9 -179.067 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 30.7 p -65.89 -53.95 32.9 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 119.016 -0.516 . . . . 72.4 111.346 -178.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 98.0 m -57.26 -46.0 83.47 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-O 120.85 0.357 . . . . 64.2 111.415 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 73.1 mtt-85 -55.83 -63.5 1.16 Allowed 'General case' 0 C--N 1.345 0.406 0 CA-C-N 114.759 -1.109 . . . . 74.01 110.936 178.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1005 ' ' LEU . . . . . 0.578 ' HB3' HD11 ' A' ' 86' ' ' LEU . 36.8 mt -61.88 -41.79 98.29 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 123.991 0.807 . . . . 75.43 112.069 -174.15 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 44.2 p -61.25 -52.61 64.02 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 117.953 0.342 . . . . 62.15 110.986 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 28.2 ttt180 -66.47 -26.17 67.06 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.836 0.454 . . . . 73.12 110.983 178.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1008 ' ' TRP . . . . . 0.499 ' O ' ' HG ' ' A' 1012 ' ' LEU . 0.0 OUTLIER -71.49 -36.13 71.01 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.887 0.875 . . . . 70.41 109.545 175.898 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1009 ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' 1005 ' ' LEU . 84.6 mt -73.38 -31.46 63.93 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 109.123 -0.695 . . . . 70.15 109.123 179.714 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 96.4 m -65.58 -44.76 85.69 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 114.607 -1.179 . . . . 54.43 110.344 172.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -71.25 -28.91 64.5 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.638 0.775 . . . . 73.2 111.097 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1012 ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' 1008 ' ' TRP . 19.0 mt -70.33 -48.65 55.51 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 115.731 -0.668 . . . . 73.23 109.319 175.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 22.1 t70 -73.7 -22.32 59.96 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.92 -0.582 . . . . 75.24 110.938 -177.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -68.92 -43.96 74.09 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.387 -0.597 . . . . 74.14 109.387 170.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 50.4 t80 -56.35 -57.76 10.87 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 123.871 0.732 . . . . 74.01 109.525 173.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -43.7 -52.15 6.69 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.251 1.42 . . . . 61.04 112.207 176.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1017 ' ' ALA . . . . . 0.42 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -62.31 -61.67 2.29 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.631 0.773 . . . . 75.24 111.534 -178.448 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 18.5 mmmt -57.81 -40.85 80.94 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.065 1.346 . . . . 62.41 112.511 -177.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1019 ' ' MET . . . . . 0.659 ' SD ' HD11 ' A' ' 72' ' ' LEU . 1.3 ppp? -79.18 -30.32 43.41 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.846 -0.615 . . . . 70.33 109.653 -172.552 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -66.84 -31.31 71.84 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 123.127 0.267 . . . . 71.43 110.471 169.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1021 ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' 1017 ' ' ALA . 96.1 mt -70.56 -29.95 66.54 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-O 118.379 -0.819 . . . . 54.15 111.77 175.115 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1022 ' ' LEU . . . . . 0.523 ' HG ' ' HA ' ' A' 1019 ' ' MET . 94.5 mt -50.41 106.37 0.63 Allowed Pre-proline 0 N--CA 1.505 2.322 0 CA-C-N 118.211 0.459 . . . . 71.22 111.252 175.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -92.56 26.66 0.39 Allowed 'Trans proline' 0 C--N 1.381 2.253 0 C-N-CA 123.089 2.526 . . . . 65.13 113.747 -173.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -118.43 -58.66 1.96 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.704 0.802 . . . . 72.22 109.736 -177.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1025 ' ' VAL . . . . . . . . . . . . . 16.0 m . . . . . 0 C--O 1.256 1.406 0 C-N-CA 124.33 1.052 . . . . 73.14 109.667 -179.751 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.5 p . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 112.878 0.696 . . . . 64.22 112.878 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m -67.52 -34.35 76.92 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 122.596 0.358 . . . . 75.44 111.596 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.9 m -62.08 -51.91 66.03 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.754 0.822 . . . . 65.2 110.333 175.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 79.0 t -60.34 -51.68 70.15 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 O-C-N 124.047 0.842 . . . . 60.41 110.048 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -57.33 -47.17 82.25 Favored 'General case' 0 C--O 1.214 -0.799 0 O-C-N 123.547 0.529 . . . . 75.51 111.324 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -59.16 -55.01 40.42 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 122.924 0.49 . . . . 73.1 110.859 -176.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 65.1 mt -68.29 -42.61 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 123.56 0.744 . . . . 74.54 111.392 -176.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.519 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 7.1 m-80 -64.97 -43.74 91.65 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.555 0.742 . . . . 70.3 110.867 -179.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.591 ' HD3' HG23 ' A' ' 46' ' ' THR . 94.2 mtt180 -66.49 -44.58 82.23 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 118.806 -0.616 . . . . 72.31 110.203 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 35.3 m95 -57.85 -38.21 75.28 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 123.362 0.414 . . . . 74.51 111.075 173.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.422 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 63.9 tt0 -64.83 -42.58 94.84 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 123.682 0.793 . . . . 74.23 109.922 177.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.519 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 66.8 mmt-85 -65.62 -42.74 91.19 Favored 'General case' 0 C--O 1.211 -0.924 0 O-C-N 123.433 0.458 . . . . 73.41 110.076 -179.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 10' ' ' ARG . 83.0 mt -64.25 -39.43 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 124.006 0.922 . . . . 74.25 110.458 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.14 -45.33 85.44 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.81 0.844 . . . . 73.2 110.861 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 90.2 mt -71.36 -36.45 71.48 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.649 0.78 . . . . 64.43 110.775 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.2 mt -65.95 -52.9 45.56 Favored 'General case' 0 C--O 1.212 -0.875 0 C-N-CA 123.444 0.698 . . . . 65.32 109.564 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.2 p -62.8 -36.33 82.77 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 123.803 0.689 . . . . 75.52 110.955 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -61.96 -49.91 74.24 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 123.751 0.657 . . . . 73.12 110.517 174.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.4 m -60.4 -47.96 83.83 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 123.825 0.703 . . . . 65.04 110.813 179.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.537 HD13 ' HH2' ' A' 1008 ' ' TRP . 79.4 mt -65.58 -32.5 74.12 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.463 1.105 . . . . 73.41 110.518 -177.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.513 HD22 ' HA ' ' A' ' 74' ' ' ASN . 34.3 tp -64.26 -51.66 62.5 Favored 'General case' 0 C--N 1.352 0.675 0 O-C-N 123.78 0.675 . . . . 73.5 109.844 175.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.545 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 37.4 mm-40 -57.44 -47.77 80.92 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 124.203 0.939 . . . . 55.13 110.427 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.477 HD13 ' HB2' ' A' ' 32' ' ' LEU . 43.2 mt -59.59 -41.5 90.42 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 115.285 -0.87 . . . . 64.23 111.316 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.84 81.7 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.935 0.494 . . . . 61.2 111.005 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -72.16 -27.22 62.45 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.557 0.743 . . . . 60.2 110.917 176.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.545 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 7.4 mmm180 -94.94 -10.02 32.34 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 122.86 0.464 . . . . 71.53 112.032 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.78 11.63 67.81 Favored Glycine 0 C--N 1.345 1.059 0 N-CA-C 114.269 0.468 . . . . 62.44 114.269 178.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -84.37 80.55 9.17 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.614 0.766 . . . . 64.52 110.227 178.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 29.3 m95 -77.21 -19.26 56.93 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 123.729 0.811 . . . . 73.15 111.578 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -59.28 -50.75 72.81 Favored 'General case' 0 C--O 1.245 0.821 0 C-N-CA 125.198 1.399 . . . . 72.32 111.495 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.477 ' HB2' HD13 ' A' ' 24' ' ' LEU . 93.5 mt -74.27 -19.13 60.6 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.212 -0.904 . . . . 74.13 111.282 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.478 ' HA ' HD22 ' A' ' 21' ' ' LEU . 9.9 mp -66.54 -49.29 66.96 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 109.307 -0.627 . . . . 75.52 109.307 169.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.3 -34.61 78.07 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 124.063 0.852 . . . . 53.25 111.676 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -74.13 -56.16 5.24 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.126 0.571 . . . . 70.1 110.979 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.516 ' HB2' HD21 ' A' ' 21' ' ' LEU . 16.5 mt-30 -77.56 -8.3 57.61 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.369 1.068 . . . . 50.12 112.253 -176.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -43.61 -61.16 1.48 Allowed 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.927 1.291 . . . . 71.03 112.288 172.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.5 p -61.83 -33.42 57.77 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 O-C-N 123.935 0.772 . . . . 61.21 110.937 -177.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.5 m -64.18 -46.58 83.38 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.726 0.81 . . . . 75.53 110.885 177.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -68.85 -48.35 63.68 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 114.835 -1.075 . . . . 72.22 110.574 -174.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 80.7 mt -66.67 -38.08 86.09 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 124.14 0.9 . . . . 52.32 110.558 -178.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -58.91 -51.74 68.75 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 123.196 0.599 . . . . 73.13 110.644 174.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.2 m -59.23 -41.32 88.4 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.697 0.799 . . . . 73.33 111.385 -178.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.432 ' O ' HG12 ' A' ' 47' ' ' VAL . 19.8 mt -54.56 -56.53 9.79 Favored 'Isoleucine or valine' 0 C--O 1.252 1.19 0 C-N-CA 124.774 1.23 . . . . 60.31 111.116 174.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.507 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 50.6 mt-10 -64.34 -44.25 92.08 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 114.98 -1.009 . . . . 73.14 110.846 -174.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.591 HG23 ' HD3' ' A' ' 10' ' ' ARG . 11.3 t -72.43 -30.79 64.92 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 123.404 0.44 . . . . 71.04 111.964 -173.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 44' ' ' ILE . 5.9 p -73.75 -33.69 38.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 N-CA-C 109.587 -0.523 . . . . 73.44 109.587 174.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 41.7 ttm -72.44 -23.73 61.11 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 115.993 -0.549 . . . . 70.13 110.61 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 9.8 mm-40 . . . . . 0 N--CA 1.483 1.177 0 C-N-CA 122.891 0.476 . . . . 63.23 111.047 170.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 80.7 p . . . . . 0 C--O 1.246 0.885 0 CA-C-O 120.432 0.158 . . . . 71.04 111.002 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -51.94 -68.73 0.15 Allowed 'General case' 0 C--N 1.357 0.913 0 C-N-CA 124.837 1.255 . . . . 72.32 112.913 -172.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.2 m -55.9 -44.69 78.46 Favored 'General case' 0 C--O 1.249 1.071 0 O-C-N 124.342 1.026 . . . . 63.25 112.498 -172.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 62.9 mt -58.78 -53.6 45.2 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 O-C-N 124.163 0.915 . . . . 72.25 109.824 178.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -62.63 -36.61 83.36 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 123.85 0.719 . . . . 75.44 111.371 -176.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -65.68 -50.04 66.37 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 122.724 0.41 . . . . 54.01 111.351 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 75.7 mtm -64.14 -46.16 85.31 Favored 'General case' 0 N--CA 1.485 1.319 0 O-C-N 123.612 0.57 . . . . 74.24 110.713 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.1 t -58.97 -47.7 88.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 124.542 1.137 . . . . 64.31 111.08 178.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.72 -32.88 74.76 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.601 0.76 . . . . 75.11 110.851 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.435 ' O ' ' HG3' ' A' ' 70' ' ' GLN . . . -62.24 -48.01 85.65 Favored Glycine 0 C--N 1.353 1.502 0 O-C-N 123.783 0.677 . . . . 21.23 111.455 172.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -66.29 -29.13 69.29 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.359 0.664 . . . . 74.13 111.633 178.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.4 mt -70.27 -41.61 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 124.009 0.924 . . . . 75.01 109.914 176.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -60.56 -45.24 94.64 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.507 0.323 . . . . 75.42 110.249 174.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 66' ' ' GLY . 74.9 mt-30 -56.48 -59.07 5.52 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 124.655 1.222 . . . . 61.33 110.302 178.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.407 ' OG1' HG22 ' A' ' 14' ' ' ILE . 14.6 t -68.92 -37.87 79.2 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 112.405 0.52 . . . . 73.15 112.405 -171.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.9 mt -70.81 -34.72 72.02 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 118.081 0.4 . . . . 73.32 111.349 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -72.02 -46.05 58.55 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 122.529 0.332 . . . . 75.54 110.512 176.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.513 ' HA ' HD22 ' A' ' 22' ' ' LEU . 94.2 m-20 -61.9 -44.79 96.08 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.425 0.69 . . . . 63.03 110.536 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.485 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 37.0 tt0 -74.28 -28.15 61.06 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 124.144 0.902 . . . . 73.3 111.068 -178.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -61.54 -51.25 69.37 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-O 121.382 0.61 . . . . 65.32 109.787 172.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.92 -41.27 97.7 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 114.421 -1.263 . . . . 74.45 110.435 178.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.485 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 30.6 mt -57.58 -45.19 85.51 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.971 0.908 . . . . 65.32 111.465 172.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -62.43 -52.34 63.96 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.827 0.851 . . . . 73.53 110.221 -173.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.23 -41.94 91.39 Favored Glycine 0 C--N 1.349 1.268 0 O-C-N 123.899 0.749 . . . . 62.12 113.199 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.4 tt -60.95 -52.62 64.24 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.011 0.924 . . . . 73.4 110.232 -178.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.525 HD13 ' HE1' ' A' 1008 ' ' TRP . 24.3 mt -74.16 -24.84 59.46 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.16 0.984 . . . . 73.03 111.59 -175.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.1 -48.3 74.15 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 109.257 -0.646 . . . . 74.22 109.257 172.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -73.0 -28.38 62.34 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 115.809 -0.632 . . . . 70.11 111.453 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -72.11 -51.21 22.54 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 109.586 -0.524 . . . . 74.44 109.586 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.62 HD11 ' HB3' ' A' 1005 ' ' LEU . 84.4 mt -63.79 -30.47 71.56 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 123.532 0.52 . . . . 40.4 111.265 176.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -56.25 -57.45 12.19 Favored 'General case' 0 C--O 1.244 0.779 0 O-C-N 123.99 0.806 . . . . 74.34 109.641 171.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -60.35 -44.72 95.29 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.438 -0.801 . . . . 71.13 111.475 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 88.1 mt -60.73 -44.33 96.79 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.595 0.758 . . . . 53.43 111.36 -176.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 80.8 p . . . . . 0 N--CA 1.479 0.998 0 C-N-CA 122.661 0.384 . . . . 75.54 110.862 178.021 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 57.9 ttp . . . . . 0 N--CA 1.476 0.829 0 CA-C-O 120.505 0.193 . . . . 72.24 111.0 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 41.2 p -69.76 -51.59 32.7 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 115.801 -0.636 . . . . 72.35 110.923 -175.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 31.1 m -59.17 -43.11 92.12 Favored 'General case' 0 CA--C 1.55 0.956 0 O-C-N 123.595 0.559 . . . . 44.53 111.562 -178.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -60.32 -59.9 4.67 Favored 'General case' 0 C--N 1.358 0.948 0 O-C-N 123.628 0.58 . . . . 73.45 110.557 175.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1005 ' ' LEU . . . . . 0.62 ' HB3' HD11 ' A' ' 86' ' ' LEU . 43.2 mt -66.33 -24.78 66.58 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.282 0.845 . . . . 73.13 113.282 -173.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 41.4 p -76.32 -46.61 26.93 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 118.524 0.602 . . . . 62.31 110.027 175.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 45.6 ttm-85 -59.69 -34.75 73.28 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-O 121.611 0.72 . . . . 73.21 110.046 173.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1008 ' ' TRP . . . . . 0.537 ' HH2' HD13 ' A' ' 21' ' ' LEU . 5.9 t-105 -66.92 -53.24 33.91 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.169 1.388 . . . . 74.53 109.699 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1009 ' ' LEU . . . . . . . . . . . . . 62.9 mt -63.04 -36.42 83.51 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 122.966 0.507 . . . . 44.01 111.706 -178.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 9.6 t -76.16 -27.56 57.02 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 110.494 -0.188 . . . . 71.34 110.494 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -76.51 -27.47 56.02 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.098 0.559 . . . . 75.24 111.111 173.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1012 ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' 1008 ' ' TRP . 30.7 mt -69.88 -50.36 43.19 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 109.136 -0.69 . . . . 74.11 109.136 175.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 21.2 t70 -60.19 -36.91 78.7 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 114.741 -1.118 . . . . 62.43 110.566 177.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 7.7 t30 -62.59 -48.57 78.86 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 123.443 0.697 . . . . 72.13 110.813 175.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1015 ' ' PHE . . . . . 0.425 ' CD2' HG23 ' A' ' 44' ' ' ILE . 32.9 t80 -60.19 -56.84 16.7 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 123.658 0.599 . . . . 72.42 109.868 179.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -41.75 -57.82 2.2 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.912 1.685 . . . . 53.22 112.091 175.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -64.78 -55.27 20.76 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 115.149 -0.932 . . . . 64.05 111.705 -175.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 65.1 tttm -67.71 -33.42 74.86 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.454 1.101 . . . . 50.24 111.555 -171.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1019 ' ' MET . . . . . 0.648 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.3 OUTLIER -80.86 -27.72 36.28 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.904 -0.589 . . . . 70.22 110.424 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -70.27 -26.78 63.98 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 110.148 -0.315 . . . . 55.51 110.148 167.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 95.8 mt -86.65 -11.72 50.51 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 118.401 -0.809 . . . . 71.0 112.455 177.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1022 ' ' LEU . . . . . 0.648 ' HG ' ' HA ' ' A' 1019 ' ' MET . 31.0 mt . . . . . 0 N--CA 1.498 1.947 0 C-N-CA 123.139 0.576 . . . . 73.12 111.573 169.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.9 m . . . . . 0 N--CA 1.481 1.118 0 N-CA-C 112.979 0.733 . . . . 74.51 112.979 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.9 m -73.43 -11.73 60.57 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 112.236 0.458 . . . . 44.14 112.236 -175.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 50.2 m -71.82 -57.01 4.71 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.588 0.755 . . . . 64.44 109.937 174.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.3 p -65.04 -32.35 57.9 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.989 0 C-N-CA 122.86 0.464 . . . . 73.0 109.902 178.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -56.88 -60.53 3.44 Favored 'General case' 0 C--N 1.365 1.261 0 N-CA-C 109.784 -0.45 . . . . 72.02 109.784 171.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -58.21 -52.58 64.98 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.284 1.033 . . . . 71.13 110.767 -171.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.609 HD11 HG12 ' A' ' 60' ' ' ILE . 69.9 mt -66.81 -46.28 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 123.905 0.882 . . . . 62.3 111.644 -175.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.418 HD22 ' N ' ' A' ' 9' ' ' ASN . 0.9 OUTLIER -71.79 -30.27 65.35 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-N 117.694 0.224 . . . . 75.5 111.493 -175.429 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.434 ' HD3' HG23 ' A' ' 46' ' ' THR . 94.5 mtt180 -72.22 -51.41 21.21 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 118.842 -0.599 . . . . 73.25 110.045 177.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 58.2 m95 -56.86 -37.6 71.54 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 123.605 0.565 . . . . 73.35 110.985 175.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -60.8 -51.7 68.2 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 123.943 0.777 . . . . 55.51 109.841 176.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -62.75 -36.47 83.15 Favored 'General case' 0 C--O 1.212 -0.877 0 O-C-N 124.305 1.003 . . . . 75.12 111.204 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.462 HG22 ' OG1' ' A' ' 71' ' ' THR . 89.9 mt -68.78 -39.22 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 123.658 0.783 . . . . 74.32 110.165 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.5 -42.33 87.51 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.55 0.74 . . . . 72.42 111.09 177.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.2 mt -71.05 -39.42 72.26 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.912 0.885 . . . . 74.55 110.893 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' A' ' 40' ' ' TYR . 38.2 mt -64.0 -48.49 76.18 Favored 'General case' 0 C--O 1.211 -0.967 0 C-N-CA 123.216 0.606 . . . . 43.34 109.468 176.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.3 p -66.07 -37.93 87.03 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.573 0.546 . . . . 70.21 111.418 -174.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -71.33 -35.22 71.14 Favored 'General case' 0 N--CA 1.484 1.252 0 O-C-N 123.171 0.295 . . . . 72.33 110.835 177.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.42 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 67.5 m -61.56 -60.01 4.34 Favored 'General case' 0 C--N 1.356 0.884 0 N-CA-C 108.942 -0.762 . . . . 72.02 108.942 173.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.631 HD13 ' HH2' ' A' 1008 ' ' TRP . 35.5 mt -52.21 -36.76 53.01 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.701 1.6 . . . . 72.24 112.032 178.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.58 HD22 ' HA ' ' A' ' 74' ' ' ASN . 37.2 tp -64.19 -56.12 16.92 Favored 'General case' 0 C--O 1.246 0.872 0 C-N-CA 123.643 0.777 . . . . 71.35 110.72 179.101 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 38.8 tt0 -59.84 -40.92 90.17 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 124.329 1.018 . . . . 61.22 109.684 -179.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.512 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 96.2 mt -66.92 -35.39 79.88 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.407 1.083 . . . . 74.33 111.343 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.56 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -65.41 -42.88 92.08 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.979 0.512 . . . . 63.24 109.688 177.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -65.47 -33.65 76.44 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 115.075 -0.966 . . . . 75.34 111.451 174.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.441 ' HD2' HD23 ' A' ' 24' ' ' LEU . 92.5 mtt-85 -73.37 -25.98 60.81 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.265 0.626 . . . . 53.34 111.221 176.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.2 13.85 55.31 Favored Glycine 0 C--N 1.348 1.219 0 O-C-N 123.409 0.443 . . . . 61.24 113.487 -176.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.512 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 41.1 mm-40 -77.04 75.5 3.61 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.52 1.128 . . . . 73.01 110.836 178.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -72.98 -28.85 62.63 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.598 0.359 . . . . 75.3 110.926 -177.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -59.68 -49.41 77.83 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.351 0.661 . . . . 63.32 110.717 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 78.0 mt -63.65 -34.13 77.15 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.615 0.766 . . . . 72.41 111.89 177.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.442 HD21 ' HB2' ' A' ' 25' ' ' ALA . 10.0 mp -66.15 -37.62 86.12 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 119.409 -0.329 . . . . 74.31 111.772 173.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.65 -36.88 73.62 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.195 0.598 . . . . 64.03 111.048 177.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -71.13 -52.66 18.0 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.338 0.655 . . . . 75.52 110.222 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.518 ' HB2' HD21 ' A' ' 21' ' ' LEU . 13.9 mt-30 -79.42 -10.86 59.89 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.277 1.031 . . . . 74.2 111.704 -178.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.425 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 11.0 tt0 -44.11 -63.78 0.8 Allowed 'General case' 0 C--N 1.366 1.302 0 C-N-CA 123.428 0.691 . . . . 74.43 110.87 171.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.409 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 6.0 p -58.1 -42.65 83.58 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 O-C-N 124.319 1.012 . . . . 70.24 111.107 -176.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.7 m -60.38 -46.14 91.04 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.389 0.676 . . . . 62.13 111.312 -178.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.436 ' HA ' HD13 ' A' ' 17' ' ' LEU . 55.4 t80 -67.35 -45.07 77.41 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.234 1.014 . . . . 63.11 110.564 -176.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 57.3 mt -67.28 -40.1 86.09 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 123.981 0.801 . . . . 72.14 110.782 -177.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 85.1 mm-40 -67.31 -36.77 82.18 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.506 0.323 . . . . 74.31 110.616 178.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.8 m -61.82 -40.29 94.74 Favored 'General case' 0 CA--C 1.551 0.993 0 O-C-N 123.595 0.56 . . . . 53.22 110.875 173.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.0 mt -61.1 -47.46 93.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.278 1.031 . . . . 70.34 111.156 176.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.45 -54.47 46.43 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.631 0.772 . . . . 73.31 111.153 178.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.434 HG23 ' HD3' ' A' ' 10' ' ' ARG . 14.8 t -72.28 -24.02 61.28 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 112.603 0.594 . . . . 62.52 112.603 -173.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.6 p -79.99 -41.14 21.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 CA-C-N 118.293 0.497 . . . . 51.12 110.353 176.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.475 ' SD ' ' HG2' ' A' 1018 ' ' LYS . 53.9 ttm -78.53 -14.49 59.32 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.035 0.534 . . . . 73.43 109.867 -178.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 . . . . . 0 CA--C 1.553 1.058 0 C-N-CA 124.256 1.023 . . . . 73.12 110.952 172.265 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.9 t . . . . . 0 N--CA 1.485 1.284 0 N-CA-C 111.85 0.315 . . . . 65.24 111.85 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -58.34 -32.37 68.46 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.18 0.992 . . . . 74.32 112.717 -171.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.7 m -63.78 -56.71 13.49 Favored 'General case' 0 C--O 1.249 1.073 0 C-N-CA 123.093 0.557 . . . . 64.54 111.09 -178.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.609 HG12 HD11 ' A' ' 8' ' ' ILE . 66.3 mt -60.74 -49.99 82.28 Favored 'Isoleucine or valine' 0 C--N 1.357 0.91 0 CA-C-N 115.515 -0.766 . . . . 73.44 109.265 178.133 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -56.51 -40.04 74.35 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 124.212 0.945 . . . . 72.23 111.72 -178.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -67.29 -57.62 6.32 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.517 0.727 . . . . 72.53 111.199 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 69.7 mtm -61.67 -48.38 81.08 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 123.582 0.551 . . . . 55.03 110.516 -175.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 22.8 t -59.82 -43.92 92.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 124.37 1.068 . . . . 63.31 111.327 178.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.72 -34.09 77.09 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 117.922 0.328 . . . . 70.54 110.477 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.8 -46.6 93.79 Favored Glycine 0 C--N 1.348 1.214 0 N-CA-C 111.112 -0.795 . . . . 75.43 111.112 173.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -70.2 -31.57 69.08 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.16 0.984 . . . . 63.51 111.634 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.448 HG23 ' HE1' ' A' 1019 ' ' MET . 17.9 mt -69.57 -55.19 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.338 1.055 . . . . 73.34 109.901 -178.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -63.67 -36.21 83.1 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 123.557 0.536 . . . . 54.54 110.212 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -62.42 -54.94 32.91 Favored 'General case' 0 C--N 1.357 0.91 0 O-C-N 123.846 0.716 . . . . 55.24 110.807 176.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.462 ' OG1' HG22 ' A' ' 14' ' ' ILE . 6.4 t -69.34 -36.42 76.89 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 123.45 0.469 . . . . 74.34 111.74 -172.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.471 HD22 ' HG2' ' A' 1016 ' ' GLU . 83.5 mt -70.93 -35.79 72.38 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.651 0.594 . . . . 74.25 111.159 177.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -65.11 -45.82 83.56 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-O 120.958 0.409 . . . . 62.31 110.133 174.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.58 ' HA ' HD22 ' A' ' 22' ' ' LEU . 86.1 m-20 -65.34 -40.02 93.1 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 115.282 -0.872 . . . . 71.4 110.71 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.581 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 36.1 tt0 -79.53 -21.32 45.37 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.951 0.9 . . . . 74.35 110.754 -178.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -69.17 -46.22 68.06 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 108.667 -0.864 . . . . 60.5 108.667 172.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.3 mt -69.65 -35.26 75.03 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 114.685 -1.143 . . . . 74.15 110.957 177.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.581 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 19.5 mt -62.15 -46.02 90.87 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.643 0.777 . . . . 63.03 110.441 171.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -62.03 -49.82 74.48 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.908 0.755 . . . . 71.33 109.903 -177.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.47 -49.22 75.87 Favored Glycine 0 C--N 1.351 1.385 0 O-C-N 123.967 0.792 . . . . 65.41 112.597 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.56 HD22 ' HB1' ' A' ' 25' ' ' ALA . 10.5 tt -62.86 -60.3 3.67 Favored 'General case' 0 C--O 1.215 -0.747 0 C-N-CA 123.489 0.716 . . . . 62.33 110.359 -178.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.633 HD13 ' HE1' ' A' 1008 ' ' TRP . 41.4 mt -64.26 -34.09 77.31 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.992 0.917 . . . . 73.25 112.905 -173.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.03 -46.72 70.4 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 108.746 -0.835 . . . . 54.21 108.746 175.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -61.33 -36.71 80.91 Favored 'General case' 0 C--N 1.357 0.904 0 O-C-N 123.883 0.739 . . . . 73.43 110.796 176.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -75.26 -44.19 47.26 Favored 'General case' 0 C--O 1.21 -1.015 0 C-N-CA 123.847 0.859 . . . . 74.22 110.821 -174.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.516 HD11 ' HB3' ' A' 1005 ' ' LEU . 98.5 mt -67.57 -38.57 84.27 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 117.919 0.327 . . . . 70.31 110.591 177.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -63.11 -45.66 90.96 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.762 0.825 . . . . 74.1 110.578 174.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -63.21 -56.91 12.73 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.881 0.872 . . . . 62.42 109.874 -178.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 96.9 mt -54.57 -42.02 70.54 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.056 1.343 . . . . 75.12 111.733 178.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 94.5 p . . . . . 0 N--CA 1.476 0.862 0 C-N-CA 122.201 0.201 . . . . 73.11 110.617 -179.767 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 51.1 ttp . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 120.656 0.265 . . . . 74.24 110.969 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 40.4 p -70.85 -45.37 64.6 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.509 -0.768 . . . . 41.31 111.451 -174.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 4.5 t -62.12 -38.77 90.19 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 123.255 0.347 . . . . 73.23 110.294 -178.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -71.76 -43.6 65.48 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 116.001 -0.545 . . . . 62.52 110.63 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1005 ' ' LEU . . . . . 0.516 ' HB3' HD11 ' A' ' 86' ' ' LEU . 52.7 mt -67.94 -32.81 73.52 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 112.023 0.379 . . . . 72.42 112.023 178.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 55.2 p -73.1 -43.23 62.05 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 118.021 0.373 . . . . 53.5 110.662 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -67.54 -29.56 68.98 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 120.992 0.425 . . . . 74.2 110.246 175.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1008 ' ' TRP . . . . . 0.633 ' HE1' HD13 ' A' ' 82' ' ' LEU . 0.8 OUTLIER -67.55 -41.19 84.67 Favored 'General case' 0 C--O 1.216 -0.687 0 C-N-CA 124.848 1.259 . . . . 71.51 109.962 177.138 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1009 ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' 1005 ' ' LEU . 91.3 mt -73.46 -30.91 63.49 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 109.34 -0.615 . . . . 70.55 109.34 -179.237 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 95.5 m -64.48 -40.43 95.68 Favored 'General case' 0 CA--C 1.551 1.004 0 O-C-N 124.131 0.894 . . . . 73.03 110.536 171.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -73.95 -31.94 63.27 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.624 0.77 . . . . 71.42 111.162 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1012 ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' 1008 ' ' TRP . 26.7 mt -69.16 -43.41 74.34 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 108.508 -0.923 . . . . 73.25 108.508 176.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 22.0 t70 -59.62 -43.89 93.65 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 114.682 -1.144 . . . . 63.23 110.732 177.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 63.8 t30 -64.43 -47.97 77.11 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 124.054 0.846 . . . . 71.12 110.389 -178.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 38.0 t80 -61.65 -58.79 6.67 Favored 'General case' 0 C--N 1.357 0.901 0 C-N-CA 123.557 0.743 . . . . 73.25 110.701 178.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1016 ' ' GLU . . . . . 0.471 ' HG2' HD22 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -49.29 -53.68 20.69 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.236 1.414 . . . . 73.24 110.924 -177.622 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1017 ' ' ALA . . . . . 0.449 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -61.1 -58.9 6.44 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 124.138 0.899 . . . . 52.25 110.733 -178.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1018 ' ' LYS . . . . . 0.475 ' HG2' ' SD ' ' A' ' 48' ' ' MET . 0.4 OUTLIER -59.09 -40.33 84.94 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.478 0.711 . . . . 74.03 112.232 -175.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1019 ' ' MET . . . . . 0.613 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.3 OUTLIER -78.85 -24.0 44.64 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 116.582 -0.281 . . . . 73.22 110.918 -174.182 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -70.21 -36.25 74.46 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 109.267 -0.642 . . . . 64.3 109.267 167.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1021 ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' 1017 ' ' ALA . 93.4 mt -78.41 -11.95 59.98 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 118.276 -0.868 . . . . 63.0 112.0 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1022 ' ' LEU . . . . . 0.613 ' HG ' ' HA ' ' A' 1019 ' ' MET . 38.8 mt . . . . . 0 N--CA 1.5 2.034 0 C-N-CA 123.637 0.775 . . . . 74.02 111.46 171.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.8 p . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 110.214 -0.291 . . . . 64.24 110.214 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.8 t -55.27 -42.87 74.11 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.081 0.952 . . . . 61.42 111.191 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 50.3 m -59.08 -57.88 11.12 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.129 1.372 . . . . 72.12 111.624 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.9 p -68.41 -33.78 62.12 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 O-C-N 123.315 0.384 . . . . 63.24 110.64 -172.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -66.95 -48.7 67.79 Favored 'General case' 0 C--O 1.217 -0.652 0 C-N-CA 122.401 0.28 . . . . 73.22 110.299 176.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -58.42 -51.28 70.5 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.391 0.676 . . . . 72.21 110.808 -177.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.664 HD11 HG12 ' A' ' 60' ' ' ILE . 97.2 mt -64.03 -44.94 97.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.15 0.98 . . . . 62.31 111.391 -178.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.29 -39.55 78.26 Favored 'General case' 0 N--CA 1.484 1.266 0 O-C-N 123.397 0.436 . . . . 45.11 111.278 -176.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.53 ' HD3' HG23 ' A' ' 46' ' ' THR . 84.7 mtt180 -69.33 -40.69 77.43 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.747 0.654 . . . . 73.04 110.335 -178.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 36.3 m95 -65.28 -39.37 92.5 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 123.1 0.25 . . . . 65.4 111.426 173.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.414 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 59.2 tt0 -59.76 -42.83 94.12 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 123.969 0.793 . . . . 72.21 109.971 176.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -65.5 -44.0 88.42 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 123.901 0.751 . . . . 73.11 110.889 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 10' ' ' ARG . 73.0 mt -64.41 -35.72 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 122.947 0.499 . . . . 72.34 110.607 178.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.55 -50.76 66.03 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.802 0.841 . . . . 73.25 110.716 177.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 97.7 mt -63.98 -42.43 97.22 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 115.161 -0.927 . . . . 63.1 110.633 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 40' ' ' TYR . 55.9 mt -62.81 -57.44 10.88 Favored 'General case' 0 C--O 1.213 -0.861 0 C-N-CA 124.012 0.925 . . . . 74.52 110.252 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 81.1 p -57.46 -37.38 72.79 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.846 0.858 . . . . 50.04 111.672 -177.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -63.37 -49.03 75.45 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.709 0.804 . . . . 54.15 110.955 176.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.7 m -60.9 -44.98 96.38 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 123.875 0.735 . . . . 74.34 110.406 178.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.534 HD13 ' HH2' ' A' 1008 ' ' TRP . 60.9 mt -64.24 -36.67 84.84 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.837 1.255 . . . . 71.42 110.634 -179.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.633 HD22 ' HA ' ' A' ' 74' ' ' ASN . 35.2 tp -65.53 -44.53 86.58 Favored 'General case' 0 C--N 1.351 0.647 0 C-N-CA 122.999 0.52 . . . . 74.22 109.882 178.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -59.84 -40.57 88.96 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 124.078 0.862 . . . . 53.24 109.995 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.406 ' HA ' ' HB2' ' A' ' 27' ' ' ARG . 75.8 mt -72.85 -25.63 61.18 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.11 0.964 . . . . 74.23 112.202 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.553 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -74.39 -39.72 62.51 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.047 0.539 . . . . 75.01 109.654 173.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -68.19 -28.32 67.16 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.835 0.854 . . . . 73.11 110.672 174.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.406 ' HB2' ' HA ' ' A' ' 24' ' ' LEU . 10.1 mmm180 -81.92 -27.44 33.35 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.272 1.029 . . . . 64.31 111.563 176.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.68 11.67 67.97 Favored Glycine 0 C--N 1.341 0.825 0 CA-C-O 119.467 -0.63 . . . . 42.23 113.605 -175.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.37 82.99 4.62 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.171 0.588 . . . . 75.11 110.457 174.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -73.91 -26.7 60.67 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 115.856 -0.611 . . . . 72.4 109.908 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -52.84 -51.67 60.07 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.805 1.242 . . . . 72.33 111.999 175.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.2 mt -73.68 -22.95 59.78 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.752 -0.658 . . . . 64.51 111.585 -176.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 42.1 mt -67.58 -43.67 80.0 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 109.555 -0.535 . . . . 62.15 109.555 171.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.69 -31.99 69.06 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.458 0.703 . . . . 62.41 111.862 177.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -70.27 -47.94 59.05 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.375 0.67 . . . . 65.22 110.214 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -87.25 -10.41 52.53 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.441 1.096 . . . . 53.54 112.0 -176.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.497 ' HG3' ' CE3' ' A' 1008 ' ' TRP . 31.3 tt0 -43.87 -56.71 3.71 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 124.087 0.955 . . . . 63.24 111.72 176.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.6 p -55.43 -41.2 61.59 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 C-N-CA 123.91 0.884 . . . . 71.52 112.155 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.4 m -72.24 -38.25 68.96 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.288 0.635 . . . . 72.11 112.156 -177.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.423 ' HA ' HD13 ' A' ' 17' ' ' LEU . 35.5 t80 -71.25 -46.29 61.33 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.178 0.591 . . . . 71.23 110.507 -177.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 77.9 mt -69.1 -33.42 73.47 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 123.822 0.701 . . . . 70.3 110.6 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -62.59 -45.01 94.88 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.417 0.687 . . . . 71.24 110.946 172.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.432 ' HA ' HG22 ' A' ' 46' ' ' THR . 6.7 t -67.57 -37.81 83.19 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 123.057 0.543 . . . . 63.22 109.899 -178.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.2 mt -59.12 -56.37 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.85 1.26 . . . . 75.55 111.329 176.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 12.5 pt-20 -67.35 -37.01 82.57 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 116.577 -0.283 . . . . 71.31 110.981 -176.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.53 HG23 ' HD3' ' A' ' 10' ' ' ARG . 4.3 t -71.75 -31.71 66.95 Favored 'General case' 0 C--N 1.36 1.048 0 O-C-N 122.998 0.186 . . . . 54.54 111.443 -175.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.9 p -77.49 -31.78 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 O-C-N 122.132 -0.355 . . . . 63.11 110.238 173.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 39.8 ttm -77.37 -12.2 59.93 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 122.615 0.366 . . . . 74.43 110.77 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' ' 45' ' ' GLU . 50.9 mt-10 . . . . . 0 N--CA 1.484 1.262 0 C-N-CA 122.909 0.484 . . . . 74.43 110.6 165.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.484 1.241 0 CA-C-O 119.906 -0.092 . . . . 72.34 111.025 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -58.11 -40.16 80.49 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.251 1.02 . . . . 74.31 111.476 -172.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.8 m -55.11 -55.79 27.08 Favored 'General case' 0 C--O 1.247 0.942 0 C-N-CA 123.617 0.767 . . . . 74.5 111.759 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.664 HG12 HD11 ' A' ' 8' ' ' ILE . 57.9 mt -67.8 -38.84 80.88 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-N 115.057 -0.974 . . . . 74.13 109.958 -178.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -53.38 -54.6 34.37 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.471 0.708 . . . . 64.11 110.433 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.68 -43.49 47.14 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 123.965 0.79 . . . . 62.24 112.139 -173.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 74.6 mtm -61.26 -50.46 72.94 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-O 120.648 0.261 . . . . 50.23 110.861 179.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.0 t -66.99 -37.26 79.04 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.701 0 CA-C-N 115.574 -0.739 . . . . 74.14 111.198 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.81 -31.59 72.6 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-N 118.182 0.446 . . . . 73.15 110.821 175.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.52 -44.73 71.16 Favored Glycine 0 C--N 1.351 1.369 0 O-C-N 123.911 0.757 . . . . 75.11 111.6 173.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -67.66 -28.97 68.16 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.074 0.55 . . . . 54.42 111.18 178.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.459 HG23 ' HE1' ' A' 1019 ' ' MET . 20.5 mt -74.02 -43.69 51.6 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 124.744 1.218 . . . . 53.5 109.643 179.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -61.59 -42.65 99.16 Favored 'General case' 0 C--N 1.35 0.625 0 N-CA-C 109.724 -0.473 . . . . 74.22 109.724 174.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -56.77 -60.14 4.0 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 123.954 0.784 . . . . 64.34 110.176 176.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.421 ' OG1' HG22 ' A' ' 14' ' ' ILE . 14.7 t -66.57 -42.41 87.1 Favored 'General case' 0 C--O 1.212 -0.891 0 CA-C-O 118.968 -0.539 . . . . 75.53 112.09 -171.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.42 HD21 ' SD ' ' A' 1019 ' ' MET . 67.9 mt -69.89 -34.68 73.84 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 119.302 -0.38 . . . . 63.14 111.811 -177.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -73.76 -46.28 46.67 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 122.835 0.454 . . . . 72.53 109.886 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.633 ' HA ' HD22 ' A' ' 22' ' ' LEU . 90.4 m-20 -62.0 -41.69 98.32 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.77 0.828 . . . . 64.5 110.672 178.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.567 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 35.1 tt0 -77.56 -29.05 52.01 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.016 0.926 . . . . 72.45 110.831 -178.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -60.8 -46.98 88.38 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 109.204 -0.665 . . . . 74.12 109.204 172.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.7 mt -69.82 -34.59 73.89 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 114.663 -1.153 . . . . 72.34 111.4 176.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.567 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 18.1 mt -59.81 -63.35 1.33 Allowed 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.178 0.591 . . . . 74.43 110.504 174.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.456 ' HE2' ' HG2' ' A' ' 75' ' ' GLU . 45.4 mtmt -55.59 -38.87 69.97 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.291 1.037 . . . . 64.12 112.828 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.33 -51.87 55.24 Favored Glycine 0 C--N 1.344 0.998 0 O-C-N 123.368 0.417 . . . . 75.14 112.365 175.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.553 HD22 ' HB1' ' A' ' 25' ' ' ALA . 10.1 tt -68.38 -39.23 81.82 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.222 1.009 . . . . 61.45 111.26 -176.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.513 HD13 ' HE1' ' A' 1008 ' ' TRP . 36.2 mt -79.2 -31.85 43.86 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.063 0.945 . . . . 70.31 111.011 -174.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 59.1 tp60 -68.8 -47.46 66.05 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.96 -0.756 . . . . 73.32 108.96 173.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.414 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 7.2 tp-100 -53.76 -41.54 67.27 Favored 'General case' 0 CA--C 1.55 0.955 0 O-C-N 124.312 1.008 . . . . 70.22 110.945 173.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -75.18 -41.58 57.73 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.515 0.726 . . . . 72.42 111.126 -174.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.454 HD23 HD12 ' A' ' 89' ' ' LEU . 88.8 mt -73.22 -21.91 60.55 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.962 0.505 . . . . 53.52 111.055 179.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -74.68 -40.25 61.5 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.021 -0.733 . . . . 70.13 109.021 173.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 84' ' ' GLN . 46.1 mt-10 -57.79 -56.21 24.83 Favored 'General case' 0 C--N 1.366 1.301 0 O-C-N 123.765 0.666 . . . . 62.14 109.656 171.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.454 HD12 HD23 ' A' ' 86' ' ' LEU . 95.2 mt -59.67 -37.51 78.96 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.929 1.292 . . . . 75.44 112.239 -178.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 C--N 1.35 0.628 0 N-CA-C 109.218 -0.66 . . . . 73.05 109.218 174.894 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 51.2 ttp . . . . . 0 CA--C 1.548 0.889 0 N-CA-C 111.721 0.267 . . . . 71.32 111.721 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 40.3 p -70.74 -54.04 13.26 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-O 119.167 -0.444 . . . . 72.55 111.887 -176.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 85.6 m -58.58 -41.49 85.86 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.17 0.588 . . . . 41.45 111.105 -178.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -62.52 -53.57 52.76 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 123.902 0.751 . . . . 71.24 110.623 175.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1005 ' ' LEU . . . . . 0.486 ' HA ' ' HB3' ' A' 1008 ' ' TRP . 36.4 mt -67.77 -27.83 67.09 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 112.637 0.606 . . . . 73.02 112.637 -176.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 40.8 p -76.16 -45.17 34.72 Favored 'General case' 0 C--O 1.25 1.088 0 CA-C-N 118.547 0.612 . . . . 74.13 110.23 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1007 ' ' ARG . . . . . 0.413 ' HA ' HG22 ' A' 1010 ' ' THR . 46.9 ttt85 -65.09 -30.69 71.66 Favored 'General case' 0 CA--C 1.555 1.136 0 CA-C-O 121.417 0.627 . . . . 72.44 110.001 174.024 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1008 ' ' TRP . . . . . 0.536 ' O ' ' HG ' ' A' 1012 ' ' LEU . 3.3 t-105 -65.63 -48.73 71.23 Favored 'General case' 0 C--O 1.218 -0.593 0 C-N-CA 124.658 1.183 . . . . 74.5 109.879 174.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1009 ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' 1005 ' ' LEU . 65.5 mt -63.44 -34.62 78.14 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 118.025 0.375 . . . . 71.32 111.22 -179.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . 0.413 HG22 ' HA ' ' A' 1007 ' ' ARG . 13.0 t -79.31 -25.68 42.35 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-N 117.972 0.351 . . . . 74.13 111.521 176.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -71.63 -35.98 70.59 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 110.051 -0.351 . . . . 62.21 110.051 174.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1012 ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' 1008 ' ' TRP . 27.0 mt -72.46 -36.89 68.6 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.751 0.82 . . . . 71.13 110.024 176.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 20.9 t70 -67.92 -40.91 83.29 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.978 0.911 . . . . 64.14 110.576 178.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 54.9 t30 -68.48 -41.45 80.08 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.709 0.804 . . . . 61.22 110.067 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 35.4 t80 -57.16 -58.8 6.61 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 123.401 0.681 . . . . 74.54 110.09 173.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -52.49 -44.69 65.8 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 124.52 1.138 . . . . 72.3 111.446 -178.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -61.24 -61.22 2.71 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 123.974 0.797 . . . . 60.31 111.02 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -59.33 -39.87 84.52 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.422 0.689 . . . . 64.35 111.693 -176.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1019 ' ' MET . . . . . 0.64 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.3 OUTLIER -81.11 -27.19 35.68 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.092 -0.504 . . . . 55.51 111.633 -171.586 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -75.57 -28.15 58.87 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 109.99 -0.374 . . . . 62.24 109.99 170.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 93.6 mt -81.4 -17.0 50.49 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 117.756 -1.116 . . . . 71.52 112.364 176.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1022 ' ' LEU . . . . . 0.64 ' HG ' ' HA ' ' A' 1019 ' ' MET . 36.7 mt . . . . . 0 N--CA 1.501 2.106 0 O-C-N 123.868 0.73 . . . . 71.23 111.593 174.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.3 p . . . . . 0 N--CA 1.488 1.436 0 N-CA-C 111.804 0.298 . . . . 64.04 111.804 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 m -63.3 -29.88 71.12 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.537 0.735 . . . . 72.41 111.399 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 44.5 m -67.8 -45.97 73.26 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.991 0.917 . . . . 62.14 110.923 176.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.4 t -62.03 -42.73 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.367 0.667 . . . . 75.44 109.674 177.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -57.77 -57.67 11.73 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 123.868 0.73 . . . . 74.44 110.389 176.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -54.97 -58.56 7.14 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 124.39 1.076 . . . . 74.43 111.455 -173.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.512 HD11 HG12 ' A' ' 60' ' ' ILE . 76.9 mt -63.73 -48.0 88.52 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.883 0 C-N-CA 124.169 0.988 . . . . 45.45 111.826 -176.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.5 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 21.6 m-80 -69.19 -38.73 78.8 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 118.734 -0.65 . . . . 75.43 111.376 -176.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.506 ' HD3' HG23 ' A' ' 46' ' ' THR . 98.0 mtt180 -62.66 -48.65 78.4 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 122.661 0.384 . . . . 70.34 110.084 178.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 52.0 m95 -56.51 -39.36 73.18 Favored 'General case' 0 N--CA 1.484 1.232 0 O-C-N 123.911 0.757 . . . . 70.11 111.048 175.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -62.92 -42.07 99.68 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.367 0.667 . . . . 73.53 111.424 175.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.5 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 27.8 mmt180 -61.3 -45.66 93.55 Favored 'General case' 0 C--N 1.36 1.05 0 N-CA-C 109.36 -0.607 . . . . 71.21 109.36 -179.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 10' ' ' ARG . 51.2 mt -65.91 -36.12 76.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 O-C-N 124.063 0.852 . . . . 72.24 110.757 -178.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.47 -49.24 74.4 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.233 0.613 . . . . 72.33 111.414 177.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.425 ' HA ' HE21 ' A' ' 19' ' ' GLN . 92.1 mt -69.06 -40.65 78.37 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 115.118 -0.947 . . . . 74.24 110.525 -178.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.6 mt -65.28 -45.62 83.75 Favored 'General case' 0 C--O 1.212 -0.886 0 C-N-CA 123.716 0.806 . . . . 65.15 109.984 178.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.9 p -65.17 -41.81 94.31 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 123.248 0.343 . . . . 63.51 111.118 -176.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.482 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 27.5 pt20 -72.22 -34.19 68.14 Favored 'General case' 0 C--N 1.358 0.964 0 O-C-N 123.318 0.386 . . . . 75.34 111.393 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.526 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 73.2 m -65.8 -54.89 20.88 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 109.927 -0.397 . . . . 73.52 109.927 176.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.616 ' HA ' HD12 ' A' ' 24' ' ' LEU . 90.5 mt -55.83 -33.13 64.19 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.905 1.282 . . . . 74.53 111.147 177.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' A' ' 74' ' ' ASN . 52.8 tp -64.05 -52.43 59.42 Favored 'General case' 0 C--N 1.346 0.425 0 O-C-N 123.951 0.782 . . . . 60.34 110.614 175.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 19' ' ' GLN . 19.9 mm-40 -57.18 -42.23 80.77 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 124.022 0.826 . . . . 74.45 111.268 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.616 HD12 ' HA ' ' A' ' 21' ' ' LEU . 41.7 mt -62.36 -46.25 89.5 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 114.452 -1.249 . . . . 33.01 110.319 178.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.476 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -65.93 -36.92 84.7 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.872 0.869 . . . . 62.24 111.342 -178.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -65.34 -37.23 86.45 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 115.498 -0.774 . . . . 62.21 110.466 176.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -88.94 -13.64 38.54 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 112.784 0.661 . . . . 74.51 112.784 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.58 12.76 56.65 Favored Glycine 0 C--N 1.351 1.384 0 N-CA-C 115.119 0.808 . . . . 63.12 115.119 176.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -76.68 77.08 3.33 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 117.8 0.8 . . . . 62.33 110.477 171.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.428 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 26.7 m95 -72.2 -29.32 63.85 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.463 0.705 . . . . 73.1 111.001 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -55.86 -46.04 78.34 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.716 1.206 . . . . 62.31 111.556 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.448 HD12 HD22 ' A' ' 24' ' ' LEU . 83.3 mt -73.25 -21.19 60.68 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.116 -0.947 . . . . 73.24 111.32 -179.013 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.573 ' HA ' HD22 ' A' ' 21' ' ' LEU . 11.2 mp -68.81 -45.52 71.02 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 109.48 -0.563 . . . . 72.44 109.48 169.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.48 HD22 ' HD3' ' A' 1004 ' ' ARG . 47.9 mt -67.61 -31.9 72.25 Favored 'General case' 0 N--CA 1.483 1.199 0 O-C-N 124.111 0.882 . . . . 60.31 111.246 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -72.86 -55.44 6.66 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.497 0.719 . . . . 74.45 110.568 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.567 ' HB2' HD21 ' A' ' 21' ' ' LEU . 14.7 mt-30 -79.83 -8.99 59.6 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.209 1.004 . . . . 74.32 112.028 -177.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -44.27 -53.61 6.5 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 125.41 1.484 . . . . 74.11 112.158 173.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.7 m -60.11 -42.66 90.75 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 O-C-N 123.854 0.721 . . . . 74.41 111.508 -177.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.9 m -67.2 -44.93 78.37 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.829 0.852 . . . . 74.4 111.099 -178.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -65.99 -50.77 63.12 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.219 1.007 . . . . 72.21 111.39 -176.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.8 mt -68.0 -35.82 78.96 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 123.826 0.704 . . . . 51.53 111.031 -178.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -62.14 -44.57 96.34 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.932 0.493 . . . . 72.32 110.944 174.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.6 m -62.05 -41.94 98.66 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.188 0.595 . . . . 60.51 110.797 177.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.428 HG23 ' CD2' ' A' 1015 ' ' PHE . 16.4 mt -58.4 -53.5 45.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.371 1.069 . . . . 75.41 111.314 178.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.26 -37.24 77.83 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 116.424 -0.353 . . . . 74.04 111.114 -174.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.506 HG23 ' HD3' ' A' ' 10' ' ' ARG . 6.3 t -72.99 -34.19 66.27 Favored 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 111.546 0.202 . . . . 71.15 111.546 -177.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.2 p -78.26 -36.88 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 O-C-N 122.035 -0.416 . . . . 74.42 110.817 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 56.9 ttm -68.13 -32.04 72.04 Favored 'General case' 0 C--N 1.358 0.954 0 N-CA-C 109.482 -0.562 . . . . 74.2 109.482 177.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 . . . . . 0 N--CA 1.473 0.718 0 C-N-CA 123.329 0.652 . . . . 62.33 111.033 173.558 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 82.0 p . . . . . 0 N--CA 1.479 0.984 0 CA-C-O 118.86 -0.59 . . . . 71.01 109.835 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.76 -39.5 52.37 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.021 0.928 . . . . 74.34 111.674 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.8 m -58.05 -58.64 7.54 Favored 'General case' 0 C--O 1.249 1.075 0 O-C-N 123.533 0.521 . . . . 41.21 111.369 -177.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.512 HG12 HD11 ' A' ' 8' ' ' ILE . 65.8 mt -63.86 -48.05 88.01 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 CA-C-N 115.179 -0.919 . . . . 72.14 109.446 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.91 -49.24 40.92 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.381 1.472 . . . . 73.01 111.241 178.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -74.9 -48.11 26.46 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.835 0.854 . . . . 63.12 111.056 -171.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 77.7 mtm -60.94 -49.06 78.97 Favored 'General case' 0 N--CA 1.482 1.151 0 O-C-N 123.575 0.547 . . . . 71.43 110.612 178.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.7 t -62.54 -39.36 84.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 124.118 0.967 . . . . 62.12 111.131 177.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.02 -30.63 71.62 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 122.74 0.416 . . . . 62.24 110.88 177.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.96 -42.03 79.62 Favored Glycine 0 C--N 1.353 1.501 0 O-C-N 124.063 0.852 . . . . 74.03 111.899 173.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -70.25 -28.7 65.45 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.113 0.565 . . . . 72.12 111.245 176.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.49 ' HA ' HG22 ' A' ' 71' ' ' THR . 26.6 mt -75.58 -38.91 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 124.901 1.281 . . . . 62.11 109.708 177.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -61.71 -45.86 92.16 Favored 'General case' 0 C--O 1.248 0.999 0 N-CA-C 109.148 -0.686 . . . . 64.51 109.148 176.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -61.06 -60.23 4.11 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 114.278 -1.328 . . . . 25.55 110.55 177.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.49 HG22 ' HA ' ' A' ' 68' ' ' ILE . 15.1 t -62.73 -38.99 92.7 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-O 119.194 -0.431 . . . . 74.25 112.138 -171.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.568 HD22 ' HG3' ' A' 1016 ' ' GLU . 44.8 mt -68.79 -42.34 77.51 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 111.998 0.37 . . . . 54.01 111.998 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -70.28 -46.59 64.03 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 120.786 0.327 . . . . 72.3 110.788 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.458 ' ND2' ' HB3' ' A' ' 19' ' ' GLN . 90.7 m-20 -63.34 -42.84 98.98 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.519 1.128 . . . . 73.44 111.192 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.634 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 35.0 tt0 -75.18 -32.73 61.33 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 123.816 0.697 . . . . 65.44 110.756 -178.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -62.38 -42.6 99.54 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 108.98 -0.748 . . . . 73.41 108.98 175.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.4 mt -69.7 -34.73 74.32 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 115.013 -0.994 . . . . 74.4 111.368 174.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.634 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 5.6 mt -62.33 -64.61 0.88 Allowed 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.681 0.793 . . . . 70.42 109.864 177.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.476 ' O ' ' HB2' ' A' ' 83' ' ' GLN . 60.5 pttt -66.07 -29.88 70.3 Favored 'General case' 0 C--O 1.22 -0.495 0 O-C-N 124.044 0.84 . . . . 73.24 111.725 -176.23 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.29 -59.8 8.89 Favored Glycine 0 C--N 1.356 1.644 0 N-CA-C 111.506 -0.637 . . . . 52.42 111.506 174.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.476 HD22 ' HB1' ' A' ' 25' ' ' ALA . 6.8 tt -53.69 -51.42 63.28 Favored 'General case' 0 C--N 1.349 0.576 0 C-N-CA 124.021 0.928 . . . . 72.21 110.663 177.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.45 HD13 ' HE1' ' A' 1008 ' ' TRP . 28.9 mt -65.44 -32.02 73.42 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.647 1.179 . . . . 73.2 112.554 -175.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.476 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 0.4 OUTLIER -66.06 -48.43 71.07 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 107.57 -1.27 . . . . 75.2 107.57 176.625 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -61.39 -38.95 88.91 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 124.348 1.03 . . . . 73.51 111.494 177.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -69.62 -39.99 76.87 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-N 115.227 -0.897 . . . . 74.53 110.793 -177.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.536 HD11 ' HB3' ' A' 1005 ' ' LEU . 88.3 mt -74.73 -26.11 59.57 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 119.082 -0.485 . . . . 42.53 110.859 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -59.57 -51.69 68.77 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 108.517 -0.92 . . . . 74.22 108.517 168.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -59.37 -60.11 4.38 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 124.792 1.307 . . . . 65.31 110.616 -178.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 95.8 mt -53.7 -41.91 67.46 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.345 1.458 . . . . 54.21 112.162 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 75.2 m . . . . . 0 N--CA 1.482 1.137 0 N-CA-C 110.253 -0.277 . . . . 75.31 110.253 174.7 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 48.3 ttp . . . . . 0 N--CA 1.479 1.011 0 CA-C-O 120.157 0.027 . . . . 64.25 111.034 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 30.5 p -69.9 -41.83 74.2 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.367 0.267 . . . . 71.51 110.882 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 51.6 m -56.8 -47.79 79.41 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.396 0.678 . . . . 61.1 110.82 173.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1004 ' ' ARG . . . . . 0.48 ' HD3' HD22 ' A' ' 34' ' ' LEU . 60.9 mtt-85 -52.71 -60.5 3.18 Favored 'General case' 0 C--N 1.354 0.799 0 O-C-N 124.473 1.108 . . . . 71.44 110.643 175.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1005 ' ' LEU . . . . . 0.59 ' HA ' ' HB3' ' A' 1008 ' ' TRP . 59.7 mt -68.08 -28.71 67.59 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 124.353 1.033 . . . . 63.33 112.89 -171.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 41.4 p -71.93 -45.79 59.88 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 118.535 0.607 . . . . 73.32 109.791 175.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -66.19 -27.85 68.31 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 122.903 0.481 . . . . 74.04 111.598 174.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1008 ' ' TRP . . . . . 0.59 ' HB3' ' HA ' ' A' 1005 ' ' LEU . 4.4 t-105 -71.98 -45.26 61.67 Favored 'General case' 0 C--O 1.217 -0.61 0 C-N-CA 125.039 1.335 . . . . 74.12 109.757 179.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1009 ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' 1005 ' ' LEU . 72.6 mt -70.81 -32.79 69.98 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 109.505 -0.554 . . . . 55.1 109.505 -178.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 52.5 m -59.67 -48.53 81.29 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 114.334 -1.303 . . . . 71.35 110.18 170.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -70.31 -30.92 68.02 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.697 0.799 . . . . 72.33 111.82 -178.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1012 ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' 1008 ' ' TRP . 18.1 mt -71.07 -54.63 10.47 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.674 0.609 . . . . 71.33 109.755 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 11.5 t70 -63.4 -32.63 74.11 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 115.854 -0.612 . . . . 74.52 110.542 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 5.7 t30 -60.74 -47.99 83.8 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.353 1.061 . . . . 70.42 110.563 172.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1015 ' ' PHE . . . . . 0.428 ' CD2' HG23 ' A' ' 44' ' ' ILE . 38.5 t80 -60.6 -58.63 7.66 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 123.848 0.717 . . . . 73.03 110.187 178.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1016 ' ' GLU . . . . . 0.568 ' HG3' HD22 ' A' ' 72' ' ' LEU . 33.5 tt0 -51.2 -49.77 60.35 Favored 'General case' 0 C--N 1.354 0.777 0 O-C-N 124.646 1.216 . . . . 54.03 112.233 -178.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1017 ' ' ALA . . . . . 0.441 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -61.52 -57.99 9.91 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 123.96 0.788 . . . . 70.41 111.025 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -64.4 -30.23 71.27 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 115.762 -0.654 . . . . 50.2 112.163 -175.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1019 ' ' MET . . . . . 0.592 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.8 OUTLIER -84.61 -22.01 30.13 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 120.572 0.225 . . . . 62.44 111.007 -178.161 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -71.78 -27.82 63.21 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.931 0.492 . . . . 54.45 109.998 166.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1021 ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' 1017 ' ' ALA . 85.8 mt -80.5 -24.21 39.57 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.557 0.743 . . . . 43.25 111.752 175.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1022 ' ' LEU . . . . . 0.592 ' HG ' ' HA ' ' A' 1019 ' ' MET . 30.9 mt . . . . . 0 N--CA 1.499 1.993 0 C-N-CA 123.499 0.72 . . . . 72.22 111.831 175.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.9 p . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 111.51 0.189 . . . . 64.24 111.51 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.3 p -53.65 -48.33 69.51 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.955 0.902 . . . . 73.44 111.291 174.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 75.9 m -64.12 -54.25 36.76 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.791 1.236 . . . . 64.05 112.631 -177.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.0 p -65.6 -39.8 86.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 123.089 0.556 . . . . 73.51 110.342 -174.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -64.18 -42.3 96.75 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 110.158 -0.312 . . . . 73.03 110.158 175.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -55.6 -51.88 65.67 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 123.779 0.832 . . . . 74.44 110.636 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 72.3 mt -63.63 -46.27 95.27 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.996 0 C-N-CA 124.546 1.138 . . . . 62.2 111.347 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -70.22 -36.77 74.77 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.376 0.671 . . . . 63.02 112.038 -175.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.513 ' O ' HG13 ' A' ' 14' ' ' ILE . 69.0 mtt180 -69.47 -46.34 66.88 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 109.075 -0.713 . . . . 63.45 109.075 178.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 30.4 m95 -58.17 -40.63 81.96 Favored 'General case' 0 N--CA 1.483 1.193 0 O-C-N 123.911 0.757 . . . . 73.44 111.603 174.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -64.38 -42.31 96.22 Favored 'General case' 0 C--N 1.35 0.598 0 O-C-N 123.735 0.647 . . . . 64.4 110.125 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.9 ttm-85 -61.8 -43.0 99.71 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 124.071 0.857 . . . . 75.55 110.259 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 10' ' ' ARG . 62.0 mt -65.23 -39.97 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 O-C-N 123.749 0.655 . . . . 60.34 110.628 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.09 -47.5 79.83 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.678 0.791 . . . . 74.22 111.005 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.59 -45.34 87.36 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.893 0.877 . . . . 75.14 110.647 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 51.1 mt -62.15 -47.85 82.71 Favored 'General case' 0 C--O 1.21 -0.999 0 O-C-N 124.044 0.84 . . . . 75.12 110.552 178.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.7 t -62.76 -40.8 98.39 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 123.827 0.704 . . . . 74.54 110.679 -175.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -64.76 -49.95 68.73 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 124.045 0.84 . . . . 62.24 110.689 178.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.483 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 55.9 m -54.68 -50.72 67.56 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 124.402 1.064 . . . . 70.22 110.61 176.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.564 HD23 HD12 ' A' ' 24' ' ' LEU . 95.4 mt -66.47 -32.33 73.62 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 124.413 1.085 . . . . 65.23 111.096 -176.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.507 HD22 ' HA ' ' A' ' 74' ' ' ASN . 58.6 tp -64.83 -48.8 73.06 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 109.715 -0.476 . . . . 71.34 109.715 176.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -57.02 -48.27 78.89 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 124.219 0.95 . . . . 70.33 109.858 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.616 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 92.8 mt -54.2 -44.64 71.8 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.61 0.764 . . . . 71.32 111.208 177.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.602 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -63.98 -35.61 81.25 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.471 0.708 . . . . 61.13 111.569 179.169 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 80.8 mm-40 -67.45 -32.24 72.95 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 123.162 0.585 . . . . 74.43 111.57 175.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.412 HH11 ' HB2' ' A' ' 26' ' ' GLN . 11.0 mpt_? -86.54 -22.23 26.46 Favored 'General case' 0 N--CA 1.497 1.896 0 C-N-CA 122.811 0.444 . . . . 71.3 111.621 177.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.75 32.16 10.42 Favored Glycine 0 N--CA 1.467 0.725 0 N-CA-C 113.323 0.089 . . . . 71.3 113.323 -176.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.616 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 10.1 mm-40 -83.85 63.68 7.66 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.289 1.036 . . . . 65.31 109.572 175.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 31.2 m95 -62.6 -32.65 73.7 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.03 0.932 . . . . 74.14 110.567 -175.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -62.59 -53.45 54.47 Favored 'General case' 0 C--O 1.246 0.885 0 C-N-CA 124.381 1.072 . . . . 75.44 110.54 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 78.5 mt -64.36 -28.12 69.48 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 116.025 -0.534 . . . . 72.21 110.822 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.7 mt -66.52 -49.44 66.52 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 122.908 0.483 . . . . 72.52 110.622 173.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.8 mt -65.3 -31.96 73.37 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.767 0.827 . . . . 71.51 112.155 -177.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -74.3 -57.06 4.19 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 123.336 0.654 . . . . 73.51 110.264 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -74.9 -10.81 59.84 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.296 1.039 . . . . 73.35 112.599 -177.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -47.94 -46.27 31.96 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.655 1.182 . . . . 74.03 110.805 169.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.8 t -62.05 -45.98 97.51 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.014 0 CA-C-N 115.356 -0.838 . . . . 72.21 110.633 178.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.2 m -61.48 -45.34 94.67 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.529 0.732 . . . . 73.23 111.748 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -68.0 -49.37 61.99 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.987 0.915 . . . . 63.15 111.424 -175.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.9 mt -68.48 -26.96 65.74 Favored 'General case' 0 CA--C 1.553 1.072 0 O-C-N 123.744 0.652 . . . . 73.43 110.7 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -66.7 -45.27 79.29 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.998 0.519 . . . . 72.24 110.674 171.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.0 m -63.25 -38.87 92.87 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 116.085 -0.507 . . . . 72.41 110.658 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.433 HG23 ' CD2' ' A' 1015 ' ' PHE . 43.5 mt -60.81 -55.26 25.8 Favored 'Isoleucine or valine' 0 C--O 1.252 1.216 0 C-N-CA 124.487 1.115 . . . . 72.31 111.198 176.299 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -63.28 -36.19 82.84 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 116.325 -0.398 . . . . 75.15 110.727 -175.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.2 t -77.88 -27.28 49.65 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-O 119.384 -0.341 . . . . 61.02 111.405 -177.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.417 HG23 ' HB2' ' A' ' 10' ' ' ARG . 1.5 p -75.76 -34.36 28.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 CA-C-N 118.956 0.798 . . . . 75.13 110.616 175.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 35.3 ttm -79.12 -21.63 46.3 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 121.181 0.515 . . . . 75.24 109.764 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 . . . . . 0 N--CA 1.482 1.129 0 C-N-CA 124.916 1.286 . . . . 73.52 110.667 167.877 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.0 t . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.374 0.13 . . . . 73.34 110.744 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 64.9 mmt-85 -68.85 -23.53 64.25 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.918 0.887 . . . . 75.5 112.205 -167.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.4 m -67.11 -53.96 25.86 Favored 'General case' 0 C--O 1.248 0.989 0 C-N-CA 123.275 0.63 . . . . 70.55 109.962 176.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 22.7 mt -60.76 -44.9 98.37 Favored 'Isoleucine or valine' 0 C--N 1.356 0.885 0 CA-C-N 114.937 -1.029 . . . . 74.24 109.179 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -62.46 -41.23 98.62 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 124.289 0.993 . . . . 71.4 111.277 -177.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -64.4 -52.7 56.88 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 123.414 0.446 . . . . 51.4 110.186 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 72.9 mtm -60.41 -51.33 69.94 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 124.03 0.831 . . . . 54.44 111.25 -177.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 37.5 t -62.85 -48.98 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 124.182 0.993 . . . . 62.01 111.372 -177.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.94 -29.33 70.71 Favored 'General case' 0 N--CA 1.482 1.147 0 O-C-N 123.536 0.523 . . . . 62.45 111.009 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.25 -46.81 89.83 Favored Glycine 0 C--N 1.348 1.229 0 O-C-N 123.969 0.793 . . . . 73.31 111.732 173.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -69.83 -30.29 67.75 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.598 0.759 . . . . 71.02 110.758 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.483 HG23 ' HE1' ' A' 1019 ' ' MET . 16.1 mt -64.76 -56.02 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 124.956 1.302 . . . . 63.3 109.838 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -69.84 -31.33 69.14 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 123.411 0.445 . . . . 74.22 110.824 -178.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -59.34 -59.3 5.68 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 123.951 0.782 . . . . 74.53 109.43 174.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.495 ' OG1' HG22 ' A' ' 14' ' ' ILE . 14.0 t -66.37 -43.97 84.45 Favored 'General case' 0 C--O 1.213 -0.839 0 CA-C-O 118.687 -0.673 . . . . 64.53 111.346 -173.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.462 HD21 ' SD ' ' A' 1019 ' ' MET . 90.1 mt -63.52 -34.14 77.13 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.124 0.57 . . . . 73.04 111.593 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -66.57 -55.8 13.73 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.06 0.225 . . . . 71.52 110.657 175.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.507 ' HA ' HD22 ' A' ' 22' ' ' LEU . 67.1 m-80 -61.74 -33.95 74.96 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 123.438 0.461 . . . . 64.21 111.112 -177.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.45 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 39.3 tt0 -78.36 -32.87 49.2 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.436 1.094 . . . . 71.31 111.442 -177.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -66.95 -43.39 83.29 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 109.322 -0.622 . . . . 70.54 109.322 174.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 34.0 mt -65.91 -38.6 89.11 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-N 115.936 -0.575 . . . . 73.53 110.847 174.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.45 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 16.4 mt -59.24 -44.62 92.35 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.626 0.77 . . . . 42.24 110.3 172.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.47 ' HA ' HD22 ' A' 1009 ' ' LEU . 38.7 ttmt -66.07 -44.89 83.18 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 123.768 0.668 . . . . 74.12 110.201 -173.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.76 -45.54 74.55 Favored Glycine 0 C--N 1.352 1.423 0 O-C-N 123.946 0.779 . . . . 52.13 112.935 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.602 HD22 ' HB1' ' A' ' 25' ' ' ALA . 10.1 tt -64.7 -48.14 75.76 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.525 0.73 . . . . 72.52 110.527 -178.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.2 mt -74.57 -23.17 58.72 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.894 0.877 . . . . 75.22 111.504 -178.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 1.0 OUTLIER -67.51 -50.76 57.37 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 108.074 -1.084 . . . . 64.44 108.074 172.758 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -65.86 -31.41 72.34 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 124.147 0.905 . . . . 61.12 110.902 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -64.37 -54.77 27.64 Favored 'General case' 0 C--N 1.352 0.683 0 N-CA-C 109.316 -0.624 . . . . 74.52 109.316 176.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.509 HD11 ' HB3' ' A' 1005 ' ' LEU . 90.7 mt -64.47 -33.02 74.92 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 123.674 0.609 . . . . 54.51 111.474 179.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -63.53 -47.23 82.49 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.737 0.815 . . . . 65.13 110.125 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -64.04 -56.9 11.66 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 115.153 -0.93 . . . . 71.44 109.844 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 96.3 mt -50.99 -40.81 58.85 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 124.393 1.077 . . . . 64.12 111.844 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.3 m . . . . . 0 N--CA 1.47 0.568 0 O-C-N 124.028 0.83 . . . . 72.34 109.99 175.859 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 46.4 ttp . . . . . 0 CA--C 1.544 0.721 0 CA-C-O 120.654 0.264 . . . . 74.53 110.638 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 40.1 p -66.91 -46.02 76.13 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 115.672 -0.694 . . . . 64.12 111.362 -178.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 48.8 m -56.69 -49.76 74.16 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 122.887 0.475 . . . . 61.52 111.356 179.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 60.8 mtt-85 -58.55 -54.9 41.84 Favored 'General case' 0 C--N 1.354 0.761 0 O-C-N 124.191 0.932 . . . . 75.32 110.693 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1005 ' ' LEU . . . . . 0.519 ' HA ' ' HB3' ' A' 1008 ' ' TRP . 63.2 mt -70.28 -29.34 66.08 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 124.048 0.842 . . . . 74.44 112.955 -173.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 41.3 p -72.51 -47.15 50.77 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 118.66 0.664 . . . . 54.13 109.836 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 48.6 ttt85 -60.0 -34.97 74.05 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.666 0.786 . . . . 74.4 110.501 173.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1008 ' ' TRP . . . . . 0.519 ' HB3' ' HA ' ' A' 1005 ' ' LEU . 1.0 OUTLIER -66.08 -48.58 70.52 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 124.815 1.246 . . . . 64.14 109.843 178.753 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1009 ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' 1005 ' ' LEU . 88.6 mt -68.13 -33.29 74.22 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 109.493 -0.558 . . . . 53.14 109.493 -176.159 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 95.3 m -60.77 -51.23 70.24 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.16 -1.382 . . . . 63.24 110.075 173.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -68.03 -29.31 68.27 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.612 0.765 . . . . 74.11 110.906 -178.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1012 ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' 1008 ' ' TRP . 20.0 mt -66.53 -43.92 83.86 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 109.305 -0.628 . . . . 71.32 109.305 175.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 19.6 t70 -72.59 -40.9 66.2 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 114.974 -1.012 . . . . 71.42 111.462 -175.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 18.1 m120 -72.24 -33.63 67.67 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.998 0.519 . . . . 40.23 110.556 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1015 ' ' PHE . . . . . 0.433 ' CD2' HG23 ' A' ' 44' ' ' ILE . 26.7 t80 -60.25 -60.46 3.78 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 109.004 -0.739 . . . . 73.3 109.004 170.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1016 ' ' GLU . . . . . 0.42 ' HG3' HD22 ' A' ' 72' ' ' LEU . 54.6 tt0 -50.28 -43.59 53.44 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 124.811 1.319 . . . . 75.44 112.088 -178.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1017 ' ' ALA . . . . . 0.434 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -62.94 -61.68 2.23 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.764 0.665 . . . . 63.13 110.711 179.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -62.27 -36.27 81.54 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.891 0.876 . . . . 74.31 112.536 -175.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1019 ' ' MET . . . . . 0.483 ' HE1' HG23 ' A' ' 68' ' ' ILE . 0.5 OUTLIER -79.8 -27.32 40.35 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 110.183 -0.303 . . . . 75.22 110.183 -176.075 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -72.77 -26.86 61.69 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 122.346 0.258 . . . . 70.43 110.614 167.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1021 ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' 1017 ' ' ALA . 95.2 mt -76.19 -19.9 58.0 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.34 0.656 . . . . 70.24 111.713 175.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1022 ' ' LEU . . . . . 0.472 ' HG ' ' HA ' ' A' 1019 ' ' MET . 94.4 mt . . . . . 0 N--CA 1.494 1.733 0 CA-C-O 119.317 -0.373 . . . . 73.44 110.526 169.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.2 p . . . . . 0 CA--C 1.548 0.879 0 CA-C-O 120.692 0.282 . . . . 71.44 111.39 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 m -64.59 -25.88 68.16 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.816 0.846 . . . . 71.44 110.971 179.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 87.3 m -63.96 -55.85 19.48 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.317 1.047 . . . . 51.3 110.488 175.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 71.9 t -59.36 -42.37 87.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 CA-C-N 115.883 -0.599 . . . . 73.42 110.242 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.574 ' HB3' HH11 ' A' ' 10' ' ' ARG . 44.8 mt-10 -56.51 -53.23 59.99 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.749 0.419 . . . . 72.01 111.214 176.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -62.56 -52.9 61.61 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.077 0.951 . . . . 74.14 110.967 -173.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.521 HD11 HG12 ' A' ' 60' ' ' ILE . 53.2 mt -69.73 -38.65 76.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 123.541 0.736 . . . . 72.42 111.356 -174.149 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -75.36 -26.57 58.64 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 122.787 0.435 . . . . 65.14 111.544 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.574 HH11 ' HB3' ' A' ' 6' ' ' GLU . 43.1 mtt85 -72.29 -47.11 52.51 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 119.191 -0.433 . . . . 65.42 109.937 172.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -60.08 -37.78 80.92 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 122.554 0.342 . . . . 71.1 111.115 174.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.442 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 4.7 tp-100 -56.19 -53.95 51.06 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.161 0.984 . . . . 53.31 109.405 174.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -59.21 -42.37 90.8 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 124.145 0.903 . . . . 65.21 111.274 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 10' ' ' ARG . 73.1 mt -66.11 -42.15 90.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 123.502 0.721 . . . . 74.43 110.456 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.17 -43.95 93.55 Favored 'General case' 0 C--O 1.245 0.853 0 C-N-CA 123.217 0.607 . . . . 71.25 111.023 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 91.5 mt -66.74 -47.19 73.03 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.145 -0.934 . . . . 62.41 110.578 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.7 mt -60.18 -50.91 71.81 Favored 'General case' 0 C--O 1.212 -0.912 0 C-N-CA 123.34 0.656 . . . . 62.33 110.056 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.5 t -60.33 -39.28 86.51 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.439 0.696 . . . . 63.02 111.187 -177.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.42 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 9.2 tt0 -64.33 -47.79 78.04 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.582 0.753 . . . . 73.23 110.824 177.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.471 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 68.0 m -60.49 -54.31 47.03 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 115.475 -0.784 . . . . 61.32 110.094 179.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.555 HD13 ' HH2' ' A' 1008 ' ' TRP . 83.9 mt -56.04 -34.35 65.81 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.247 1.419 . . . . 72.01 111.401 178.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.626 HD22 ' HA ' ' A' ' 74' ' ' ASN . 52.2 tp -63.89 -53.72 46.11 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 123.812 0.695 . . . . 64.35 110.211 177.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 19' ' ' GLN . 16.9 mm-40 -56.05 -43.22 77.69 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 124.15 0.906 . . . . 72.01 110.63 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.504 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 76.7 mt -60.93 -48.04 83.65 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-N 114.136 -1.393 . . . . 72.32 110.667 177.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.503 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -63.17 -38.34 90.8 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.504 0.722 . . . . 74.34 111.38 -178.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -66.54 -31.39 72.07 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.53 0.732 . . . . 73.45 110.419 177.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 65.8 mtp85 -95.43 -6.33 41.08 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 112.738 0.644 . . . . 75.12 112.738 177.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.36 27.97 41.85 Favored Glycine 0 CA--C 1.537 1.46 0 N-CA-C 115.218 0.847 . . . . 42.33 115.218 175.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.504 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 25.4 mm-40 -89.74 64.86 6.64 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.077 0.951 . . . . 74.32 110.461 178.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.412 ' HH2' HD21 ' A' ' 81' ' ' LEU . 32.1 m95 -63.35 -27.97 69.68 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.985 0.914 . . . . 72.12 112.105 -173.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.22 -45.92 91.55 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.295 1.038 . . . . 71.13 110.93 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.485 HD12 HD22 ' A' ' 24' ' ' LEU . 80.8 mt -72.81 -24.66 60.94 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 115.56 -0.746 . . . . 63.23 111.036 -179.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.547 ' HA ' HD22 ' A' ' 21' ' ' LEU . 11.2 mp -66.05 -46.25 78.5 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 110.11 -0.33 . . . . 72.12 110.11 170.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.5 mt -70.54 -29.98 66.59 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.371 0.668 . . . . 73.23 111.095 -178.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -69.62 -52.19 28.2 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.958 0.903 . . . . 74.13 110.573 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.545 ' HB2' HD21 ' A' ' 21' ' ' LEU . 16.2 mt-30 -87.44 -9.2 55.29 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 114.456 -1.247 . . . . 72.4 111.853 -174.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.419 ' HG3' ' HE3' ' A' 1008 ' ' TRP . 32.2 tt0 -46.15 -58.6 3.5 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.626 1.17 . . . . 64.4 112.132 174.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.5 p -54.55 -41.97 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 O-C-N 124.188 0.93 . . . . 72.13 110.928 -178.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.3 m -67.21 -47.91 69.43 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.594 0.758 . . . . 73.3 111.251 -177.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -63.3 -47.24 83.12 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.105 0.962 . . . . 74.53 111.751 -178.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -66.72 -38.56 86.95 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.226 0.61 . . . . 75.32 110.68 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.577 ' HA ' ' HG2' ' A' ' 45' ' ' GLU . 98.5 mt-30 -72.29 -28.3 63.01 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 116.171 -0.468 . . . . 60.11 111.298 177.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.9 m -67.87 -42.19 81.68 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-O 121.099 0.475 . . . . 71.12 109.999 173.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.491 HG23 ' CD2' ' A' 1015 ' ' PHE . 35.6 mt -57.04 -55.96 17.45 Favored 'Isoleucine or valine' 0 C--O 1.244 0.8 0 C-N-CA 124.721 1.209 . . . . 74.52 110.863 176.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.577 ' HG2' ' HA ' ' A' ' 42' ' ' GLN . 12.7 pt-20 -69.03 -33.77 74.15 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.682 -0.69 . . . . 74.34 111.118 -174.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.7 t -74.83 -30.53 61.4 Favored 'General case' 0 C--N 1.361 1.076 0 CA-C-O 118.958 -0.544 . . . . 74.4 111.482 -178.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.9 p -76.05 -38.03 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 CA-C-N 118.831 0.742 . . . . 63.53 110.38 175.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 51.8 ttm -73.08 -20.2 61.01 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.789 -0.641 . . . . 65.33 109.753 177.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 . . . . . 0 C--N 1.352 0.678 0 CA-C-N 115.668 -0.696 . . . . 71.01 110.025 171.306 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.8 t . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 111.507 0.188 . . . . 61.54 111.507 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -56.33 -39.73 73.3 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.198 0.999 . . . . 74.54 112.536 -173.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.9 p -56.1 -57.71 11.03 Favored 'General case' 0 C--O 1.25 1.118 0 O-C-N 123.589 0.556 . . . . 72.11 111.093 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.521 HG12 HD11 ' A' ' 8' ' ' ILE . 68.9 mt -60.65 -45.19 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-N 115.565 -0.743 . . . . 72.0 110.04 178.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -58.92 -43.44 91.11 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 123.667 0.605 . . . . 71.13 111.507 -175.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -74.32 -43.51 56.41 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 122.701 0.401 . . . . 50.32 111.727 -178.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 71.5 mtm -64.21 -54.52 32.26 Favored 'General case' 0 N--CA 1.483 1.214 0 O-C-N 123.228 0.33 . . . . 64.2 110.147 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 37.8 t -57.89 -43.76 85.14 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.572 0 C-N-CA 123.972 0.909 . . . . 71.35 111.165 177.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.12 -33.64 74.86 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-N 117.944 0.338 . . . . 73.3 111.375 177.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.27 -48.47 82.39 Favored Glycine 0 C--N 1.348 1.24 0 O-C-N 123.95 0.781 . . . . 52.14 111.461 175.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -68.93 -30.68 69.18 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.31 0.644 . . . . 71.1 111.442 178.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.473 HG23 ' HE1' ' A' 1019 ' ' MET . 13.5 mt -66.88 -57.59 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.616 1.167 . . . . 74.05 110.263 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -66.39 -33.86 76.66 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 122.496 0.319 . . . . 63.3 111.029 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -60.45 -54.69 42.58 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 123.759 0.662 . . . . 74.14 110.127 175.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.486 ' OG1' HG22 ' A' ' 14' ' ' ILE . 11.3 t -69.57 -35.79 75.69 Favored 'General case' 0 C--O 1.211 -0.947 0 CA-C-O 118.859 -0.591 . . . . 74.2 111.575 -175.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.479 HD21 ' SD ' ' A' 1019 ' ' MET . 69.4 mt -69.57 -36.14 76.01 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.03 0.532 . . . . 74.25 111.465 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -72.8 -47.56 45.56 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.014 0.526 . . . . 73.13 110.585 177.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.626 ' HA ' HD22 ' A' ' 22' ' ' LEU . 93.1 m-20 -59.38 -41.68 89.93 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.343 -0.844 . . . . 73.42 110.312 176.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 41.0 tt0 -71.26 -35.49 71.4 Favored 'General case' 0 C--O 1.214 -0.804 0 CA-C-N 115.366 -0.834 . . . . 63.13 110.619 179.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -58.66 -50.48 73.7 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.271 0.628 . . . . 74.45 110.07 177.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.25 -36.19 81.11 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 114.71 -1.132 . . . . 73.14 110.637 177.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.476 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 8.1 mt -56.52 -63.84 1.06 Allowed 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.511 0.724 . . . . 64.24 110.771 175.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.6 ' HB3' HD12 ' A' 1012 ' ' LEU . 34.3 pttt -73.26 -22.08 60.47 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 118.91 -0.567 . . . . 63.13 112.4 -172.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -69.29 -50.48 32.71 Favored Glycine 0 C--N 1.346 1.139 0 N-CA-C 111.655 -0.578 . . . . 61.34 111.655 172.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.503 HD22 ' HB1' ' A' ' 25' ' ' ALA . 8.3 tt -66.14 -38.9 89.26 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.054 0.941 . . . . 60.41 110.991 178.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.413 HD13 ' HE1' ' A' 1008 ' ' TRP . 28.4 mt -73.86 -29.43 62.1 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.117 0.967 . . . . 65.23 111.016 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 0.9 OUTLIER -65.89 -48.51 71.25 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 108.409 -0.96 . . . . 75.35 108.409 172.286 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -66.66 -29.59 69.65 Favored 'General case' 0 N--CA 1.485 1.31 0 O-C-N 123.728 0.643 . . . . 73.24 111.275 178.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.45 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 19.5 tpt180 -67.6 -55.85 11.76 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 109.255 -0.646 . . . . 75.12 109.255 177.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.456 HD11 ' HB3' ' A' 1005 ' ' LEU . 96.1 mt -64.91 -26.78 68.46 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.132 0.573 . . . . 63.44 111.463 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -62.26 -52.83 62.14 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.594 1.158 . . . . 64.34 109.611 173.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -58.89 -54.31 48.58 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 114.691 -1.14 . . . . 74.33 110.399 176.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.456 HD12 HD23 ' A' ' 86' ' ' LEU . 98.1 mt -56.55 -44.31 80.78 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.588 1.155 . . . . 61.23 111.92 -176.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 88.7 p . . . . . 0 N--CA 1.474 0.744 0 C-N-CA 122.479 0.312 . . . . 43.53 110.312 -179.921 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 47.9 ttp . . . . . 0 N--CA 1.478 0.939 0 N-CA-C 111.878 0.325 . . . . 74.51 111.878 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 41.3 p -66.26 -51.5 56.84 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 122.768 0.427 . . . . 75.52 110.855 -176.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 98.9 m -53.25 -51.05 63.47 Favored 'General case' 0 C--O 1.251 1.159 0 C-N-CA 123.597 0.759 . . . . 73.33 111.484 178.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 79.0 mtt-85 -58.73 -59.1 5.94 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.325 -0.852 . . . . 64.45 111.276 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1005 ' ' LEU . . . . . 0.563 ' O ' ' HG ' ' A' 1009 ' ' LEU . 56.2 mt -63.25 -33.39 75.4 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 112.529 0.566 . . . . 62.45 112.529 -174.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 38.4 p -68.49 -50.11 54.74 Favored 'General case' 0 N--CA 1.483 1.22 0 CA-C-N 118.35 0.523 . . . . 74.23 111.029 177.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -66.62 -25.59 66.67 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.034 0.445 . . . . 64.45 110.763 177.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1008 ' ' TRP . . . . . 0.555 ' HH2' HD13 ' A' ' 21' ' ' LEU . 1.3 t-105 -67.53 -46.58 72.37 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.928 1.291 . . . . 72.02 110.067 174.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1009 ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' 1005 ' ' LEU . 82.3 mt -67.79 -35.57 78.88 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.953 -0.758 . . . . 61.3 108.953 -177.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 93.3 m -59.28 -48.06 83.05 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 114.307 -1.315 . . . . 60.23 110.864 172.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -69.34 -28.31 66.12 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.513 0.725 . . . . 63.12 111.985 -179.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1012 ' ' LEU . . . . . 0.6 HD12 ' HB3' ' A' ' 79' ' ' LYS . 22.5 mt -73.96 -42.95 59.75 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.07 0.548 . . . . 55.25 110.118 178.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 33.2 t70 -67.32 -39.48 85.86 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 115.503 -0.771 . . . . 75.21 110.099 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 44.4 t30 -61.68 -50.09 73.88 Favored 'General case' 0 C--O 1.25 1.098 0 C-N-CA 123.967 0.907 . . . . 72.24 110.221 177.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1015 ' ' PHE . . . . . 0.491 ' CD2' HG23 ' A' ' 44' ' ' ILE . 25.7 t80 -54.52 -63.22 1.22 Allowed 'General case' 0 C--N 1.356 0.89 0 O-C-N 124.49 1.119 . . . . 74.1 110.017 176.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1016 ' ' GLU . . . . . 0.456 ' HG3' HD22 ' A' ' 72' ' ' LEU . 39.0 tt0 -49.76 -49.38 48.48 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 124.833 1.333 . . . . 73.14 112.248 -175.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -59.42 -60.58 3.62 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 124.061 0.851 . . . . 74.11 111.123 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -69.98 -29.7 66.86 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 112.134 0.42 . . . . 74.25 112.134 -172.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1019 ' ' MET . . . . . 0.561 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.2 OUTLIER -78.45 -28.17 46.57 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 110.168 -0.308 . . . . 63.42 110.168 -178.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -74.81 -27.29 60.24 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 110.03 -0.359 . . . . 55.23 110.03 169.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 96.8 mt -81.37 -13.55 58.2 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.493 0.717 . . . . 53.44 111.962 176.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1022 ' ' LEU . . . . . 0.561 ' HG ' ' HA ' ' A' 1019 ' ' MET . 74.9 mt . . . . . 0 N--CA 1.495 1.823 0 C-N-CA 123.238 0.615 . . . . 75.35 110.229 167.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.6 m . . . . . 0 N--CA 1.484 1.234 0 N-CA-C 112.8 0.667 . . . . 73.43 112.8 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.3 m -59.29 -46.4 88.67 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.779 0.432 . . . . 55.2 110.673 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 96.0 m -63.05 -52.35 63.17 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.391 1.076 . . . . 74.0 112.333 -178.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.1 t -64.4 -46.7 92.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 123.611 0.765 . . . . 62.24 110.088 -174.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -55.96 -56.0 26.01 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 123.435 0.459 . . . . 74.15 111.07 174.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.422 ' CD1' HG21 ' A' ' 64' ' ' VAL . 8.1 t80 -58.21 -58.84 6.69 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 123.889 0.876 . . . . 74.5 111.775 -172.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.552 HD11 HG12 ' A' ' 60' ' ' ILE . 69.3 mt -62.52 -52.79 55.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 123.91 0.884 . . . . 73.1 111.237 -177.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -68.43 -30.03 68.83 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 112.422 0.526 . . . . 63.24 112.422 -171.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.459 ' HD2' HG23 ' A' ' 46' ' ' THR . 84.1 mtm180 -76.31 -47.04 25.0 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-O 119.053 -0.499 . . . . 65.55 110.387 176.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 51.4 m95 -60.67 -37.8 82.77 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-N 118.152 0.433 . . . . 75.45 111.336 176.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -62.21 -47.68 83.35 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.46 1.104 . . . . 64.25 109.834 174.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -60.01 -41.74 92.78 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 124.059 0.849 . . . . 75.11 111.118 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 10' ' ' ARG . 96.3 mt -67.79 -40.17 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.421 1.088 . . . . 71.45 110.35 -179.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.16 -47.0 81.59 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.193 0.597 . . . . 71.22 111.187 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.3 mt -69.05 -36.91 78.2 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 114.978 -1.01 . . . . 52.02 111.089 -178.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.9 mt -65.23 -58.42 6.01 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.343 0.657 . . . . 63.22 109.648 177.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.0 p -55.46 -37.82 68.26 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.423 0.689 . . . . 63.42 111.573 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -60.76 -54.43 45.3 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.821 0.849 . . . . 71.54 110.941 175.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.3 m -57.18 -54.84 42.26 Favored 'General case' 0 N--CA 1.481 1.122 0 O-C-N 123.701 0.626 . . . . 73.31 110.658 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.653 HD13 ' HH2' ' A' 1008 ' ' TRP . 35.9 mt -52.6 -37.46 58.18 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.813 1.645 . . . . 74.01 112.213 177.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.476 HD22 ' HA ' ' A' ' 74' ' ' ASN . 28.7 tp -65.72 -52.14 53.61 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.238 0.615 . . . . 73.55 110.979 177.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -59.85 -39.99 87.03 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 121.846 0.831 . . . . 71.1 110.592 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.53 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 95.5 mt -66.71 -41.14 88.44 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 114.116 -1.402 . . . . 74.42 110.871 177.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.492 ' HB2' HD21 ' A' ' 33' ' ' LEU . . . -64.85 -34.34 78.15 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.115 0.566 . . . . 53.42 111.143 178.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -66.76 -37.4 84.52 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.692 0.797 . . . . 62.43 110.744 174.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.1 mmp_? -79.25 -17.25 55.1 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 112.642 0.608 . . . . 75.24 112.642 174.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.0 17.06 61.93 Favored Glycine 0 C--N 1.343 0.951 0 O-C-N 123.313 0.383 . . . . 51.23 113.302 -177.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.53 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 28.2 mm-40 -72.6 70.62 0.93 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.686 0.794 . . . . 64.42 111.1 174.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.505 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 24.7 m95 -67.48 -37.26 82.63 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.745 -0.661 . . . . 74.52 111.205 -173.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -59.37 -39.44 83.3 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.515 0.726 . . . . 74.21 111.728 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.427 HD12 HD22 ' A' ' 24' ' ' LEU . 75.2 mt -69.52 -32.48 71.35 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.049 -0.523 . . . . 74.2 111.224 178.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.492 HD21 ' HB2' ' A' ' 25' ' ' ALA . 11.2 mp -65.37 -43.36 91.01 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 122.395 0.278 . . . . 70.44 110.624 171.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 30' ' ' TRP . 53.5 mt -74.34 -22.47 59.22 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.668 0.787 . . . . 74.35 111.433 -176.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -79.7 -57.17 3.8 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.658 0.783 . . . . 75.31 109.797 176.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.48 ' HB2' HD21 ' A' ' 21' ' ' LEU . 13.7 mt-30 -73.54 -8.82 57.48 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.94 1.296 . . . . 61.52 111.667 -179.431 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.427 ' HA ' ' CZ3' ' A' 1008 ' ' TRP . 46.2 tt0 -44.49 -56.49 4.26 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.672 1.189 . . . . 73.31 112.408 173.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.5 p -59.53 -43.09 90.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-N 115.35 -0.841 . . . . 64.32 110.772 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.3 m -61.66 -45.46 93.94 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.307 0.643 . . . . 43.4 111.75 -177.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -71.13 -49.92 39.01 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.089 -0.96 . . . . 73.24 110.85 -174.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.5 mt -69.2 -29.64 67.66 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 115.968 -0.56 . . . . 71.14 111.825 -177.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -73.58 -39.27 64.78 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.498 0.719 . . . . 61.54 110.179 176.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.1 m -64.86 -40.2 94.77 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 122.655 0.382 . . . . 71.41 110.956 175.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.7 mt -57.59 -50.27 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 124.658 1.183 . . . . 72.32 110.444 173.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -56.19 -56.38 21.68 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 114.72 -1.127 . . . . 72.14 110.844 -179.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.459 HG23 ' HD2' ' A' ' 10' ' ' ARG . 8.0 t -64.42 -38.55 91.41 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 115.932 -0.576 . . . . 55.3 112.067 -175.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.5 p -73.42 -36.45 48.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 CA-C-O 120.709 0.29 . . . . 65.23 111.229 -175.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 54.2 ttm -78.61 -25.73 45.22 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 116.295 -0.412 . . . . 71.04 110.376 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 . . . . . 0 CA--C 1.553 1.09 0 N-CA-C 109.432 -0.581 . . . . 71.42 109.432 177.039 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.455 HG22 HD12 ' A' ' 60' ' ' ILE . 4.9 t . . . . . 0 N--CA 1.479 1.002 0 CA-C-O 120.537 0.208 . . . . 62.4 111.303 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -66.15 -45.28 81.54 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.349 1.06 . . . . 74.21 112.732 -164.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.6 m -61.19 -47.72 84.84 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-O 121.128 0.49 . . . . 72.23 111.326 -177.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.552 HG12 HD11 ' A' ' 8' ' ' ILE . 71.4 mt -61.82 -53.37 48.97 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 CA-C-N 114.961 -1.018 . . . . 64.55 109.871 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -59.56 -35.71 74.77 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 124.11 0.882 . . . . 74.33 111.628 -177.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -68.16 -55.54 11.99 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.465 0.706 . . . . 72.43 110.475 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 75.8 mtm -59.54 -44.95 93.07 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 123.708 0.63 . . . . 61.43 110.945 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.422 HG21 ' CD1' ' A' ' 7' ' ' PHE . 8.9 t -62.82 -44.76 99.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 124.141 0.977 . . . . 73.24 111.627 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.402 ' HA ' ' HB ' ' A' ' 68' ' ' ILE . . . -65.9 -29.17 69.55 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 120.791 0.329 . . . . 71.11 111.173 178.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.5 -45.34 93.41 Favored Glycine 0 C--N 1.351 1.383 0 CA-C-N 115.423 -0.808 . . . . 74.34 111.257 170.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -68.88 -27.73 66.06 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.771 0.828 . . . . 73.43 111.786 177.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.54 HG23 ' HE1' ' A' 1019 ' ' MET . 17.8 mt -67.2 -57.72 8.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 124.929 1.291 . . . . 70.43 109.853 178.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -67.08 -30.92 71.09 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-O 120.768 0.318 . . . . 61.34 110.588 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -60.06 -57.2 13.88 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-N 115.251 -0.886 . . . . 71.42 110.129 176.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.416 ' OG1' HG22 ' A' ' 14' ' ' ILE . 9.3 t -69.05 -35.74 76.9 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-N 115.407 -0.815 . . . . 63.44 111.525 -174.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.477 HD22 ' HG3' ' A' 1016 ' ' GLU . 65.3 mt -65.94 -38.54 88.89 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 123.601 0.563 . . . . 74.53 111.828 179.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -74.65 -42.46 58.48 Favored 'General case' 0 N--CA 1.485 1.325 0 O-C-N 123.122 0.264 . . . . 72.14 111.182 178.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.476 ' HA ' HD22 ' A' ' 22' ' ' LEU . 91.6 m-20 -60.22 -42.27 94.81 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.487 0.715 . . . . 72.32 110.576 175.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.565 ' HG2' ' HE2' ' A' ' 79' ' ' LYS . 35.4 tt0 -75.58 -30.57 59.67 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 114.839 -1.073 . . . . 72.43 110.554 -178.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -62.03 -47.2 85.8 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-O 121.521 0.677 . . . . 71.23 109.55 174.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 73.8 mt -67.66 -34.38 76.81 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 114.32 -1.309 . . . . 62.22 111.152 178.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.425 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 15.0 mt -60.62 -57.7 11.61 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.469 0.707 . . . . 72.12 110.309 171.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.565 ' HE2' ' HG2' ' A' ' 75' ' ' GLU . 47.3 mtmt -59.85 -38.64 82.68 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.98 0.912 . . . . 72.42 112.195 -176.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -69.47 -46.76 54.39 Favored Glycine 0 C--N 1.345 1.048 0 O-C-N 123.612 0.57 . . . . 70.3 112.77 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.403 ' O ' ' HD3' ' A' ' 85' ' ' ARG . 9.2 tt -59.42 -58.94 6.43 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.971 0.908 . . . . 74.11 109.36 178.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.421 ' HB2' HD21 ' A' 1009 ' ' LEU . 32.2 mt -62.99 -30.79 71.87 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.68 1.192 . . . . 72.44 112.001 -177.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -62.05 -51.33 68.39 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 109.604 -0.517 . . . . 73.11 109.604 173.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -64.25 -43.09 95.97 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 124.11 0.881 . . . . 72.23 111.175 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.403 ' HD3' ' O ' ' A' ' 81' ' ' LEU . 2.7 mpt_? -70.63 -43.9 68.3 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.134 0.574 . . . . 73.54 110.847 -173.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.527 HD11 ' HB3' ' A' 1005 ' ' LEU . 86.9 mt -67.23 -32.12 72.93 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 122.528 0.331 . . . . 72.34 110.839 175.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -59.92 -51.58 69.09 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.588 0.755 . . . . 72.33 110.13 174.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -61.91 -53.05 61.13 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.526 1.13 . . . . 73.34 110.352 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.674 HD13 ' SD ' ' A' 1001 ' ' MET . 95.3 mt -57.21 -42.97 82.33 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.644 1.177 . . . . 61.44 111.968 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.2 m . . . . . 0 N--CA 1.487 1.384 0 C-N-CA 122.371 0.268 . . . . 72.1 111.356 177.971 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1001 ' ' MET . . . . . 0.674 ' SD ' HD13 ' A' ' 89' ' ' LEU . 31.6 ttm . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 121.097 0.475 . . . . 63.12 111.126 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 75.1 p -70.19 -54.18 13.94 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.284 -0.871 . . . . 71.21 111.137 -172.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 15.1 t -57.38 -46.13 83.73 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 118.021 0.373 . . . . 75.21 111.167 -174.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 81.5 mtt-85 -62.01 -57.79 10.32 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 116.182 -0.463 . . . . 74.54 110.501 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1005 ' ' LEU . . . . . 0.549 ' O ' ' HG ' ' A' 1009 ' ' LEU . 61.7 mt -65.67 -24.34 66.99 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 124.107 0.879 . . . . 75.41 112.941 -173.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 65.7 p -79.41 -44.21 21.87 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-N 118.856 0.753 . . . . 60.12 111.011 176.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 61.2 mtp85 -62.45 -34.32 76.57 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 121.728 0.775 . . . . 64.12 110.07 173.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1008 ' ' TRP . . . . . 0.653 ' HH2' HD13 ' A' ' 21' ' ' LEU . 17.4 t-105 -62.58 -55.27 28.73 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.821 1.649 . . . . 73.54 110.056 174.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1009 ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' 1005 ' ' LEU . 51.8 mt -60.69 -38.38 84.8 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.074 0.55 . . . . 75.2 112.008 -176.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 12.2 t -74.5 -32.32 62.49 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-O 119.397 -0.335 . . . . 64.13 110.859 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -70.49 -33.09 70.84 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.522 0.329 . . . . 74.32 111.324 175.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1012 ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' 1008 ' ' TRP . 20.9 mt -70.99 -47.33 59.45 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.811 0.844 . . . . 44.44 110.145 178.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 13.0 t70 -62.16 -41.55 98.41 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 114.953 -1.021 . . . . 74.12 109.757 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 8.7 t30 -62.83 -44.26 96.6 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.993 0.917 . . . . 73.0 111.085 176.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 27.9 t80 -57.76 -56.07 26.73 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 123.583 0.552 . . . . 72.42 109.999 176.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1016 ' ' GLU . . . . . 0.477 ' HG3' HD22 ' A' ' 72' ' ' LEU . 38.3 tt0 -51.71 -45.51 63.57 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 124.445 1.091 . . . . 74.52 111.757 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1017 ' ' ALA . . . . . 0.435 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -63.5 -60.06 3.84 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 123.884 0.74 . . . . 64.32 111.817 -178.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -61.39 -35.15 76.7 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.494 0.718 . . . . 73.32 111.762 -175.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1019 ' ' MET . . . . . 0.643 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.0 OUTLIER -81.3 -25.35 36.55 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.988 -0.551 . . . . 70.52 110.883 -176.183 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -75.77 -24.18 56.0 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.489 0.316 . . . . 64.43 110.616 167.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1021 ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' 1017 ' ' ALA . 77.4 mt -80.01 -20.93 44.26 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-O 118.432 -0.794 . . . . 74.11 111.782 176.306 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1022 ' ' LEU . . . . . 0.643 ' HG ' ' HA ' ' A' 1019 ' ' MET . 85.9 mt . . . . . 0 N--CA 1.501 2.077 0 C-N-CA 123.72 0.808 . . . . 61.41 111.847 173.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.515 ' O ' ' HB2' ' A' ' 6' ' ' GLU . 13.1 t . . . . . 0 CA--C 1.546 0.789 0 N-CA-C 112.386 0.513 . . . . 74.54 112.386 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.5 m -76.06 -29.52 58.04 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 122.79 0.436 . . . . 54.24 111.485 -178.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 87.5 m -63.95 -58.6 6.24 Favored 'General case' 0 C--O 1.246 0.914 0 C-N-CA 123.49 0.716 . . . . 61.33 110.172 175.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.5 p -65.27 -30.73 51.16 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 CA-C-N 116.016 -0.538 . . . . 61.22 110.644 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.515 ' HB2' ' O ' ' A' ' 2' ' ' THR . 9.0 tp10 -59.43 -55.54 33.41 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.72 0.808 . . . . 74.34 110.432 175.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -60.63 -54.93 39.42 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 114.406 -1.27 . . . . 51.3 110.266 -175.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 64.0 mt -63.1 -43.34 98.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 115.524 -0.762 . . . . 72.5 111.558 -175.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.467 ' HB3' ' NH1' ' A' ' 13' ' ' ARG . 0.9 OUTLIER -71.59 -33.77 69.31 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 122.271 0.228 . . . . 64.14 111.55 -176.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.449 ' O ' HG13 ' A' ' 14' ' ' ILE . 99.2 mtt180 -63.51 -53.12 56.88 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 109.07 -0.715 . . . . 71.41 109.07 174.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -55.03 -35.69 64.72 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 123.697 0.623 . . . . 74.14 112.122 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -59.2 -55.73 31.25 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.669 0.788 . . . . 72.45 110.296 175.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.467 ' NH1' ' HB3' ' A' ' 9' ' ' ASN . 5.2 mpt_? -67.68 -28.44 67.69 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 116.034 -0.53 . . . . 75.53 111.817 -177.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 10' ' ' ARG . 92.0 mt -70.63 -39.11 75.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 123.049 0.54 . . . . 74.32 109.818 177.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.48 -43.13 86.24 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 115.701 -0.681 . . . . 65.03 110.668 176.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.13 -42.58 96.78 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 115.345 -0.843 . . . . 71.53 110.506 176.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 36.6 mt -64.27 -51.75 62.04 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.479 0.712 . . . . 71.12 110.094 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.0 p -59.66 -38.94 82.82 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.168 0.587 . . . . 72.13 111.131 -177.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -63.8 -48.66 75.99 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.737 0.815 . . . . 72.54 111.715 175.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.413 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 70.1 m -66.7 -43.48 84.23 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.155 0.582 . . . . 23.21 110.946 -177.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.563 HD23 HD12 ' A' ' 24' ' ' LEU . 96.2 mt -67.76 -31.41 71.29 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.835 1.254 . . . . 64.4 110.141 178.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.419 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 43.4 tp -61.99 -50.14 73.24 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-N 115.717 -0.674 . . . . 64.32 110.232 173.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -61.48 -36.94 81.86 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 123.8 0.688 . . . . 75.23 111.339 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.563 HD12 HD23 ' A' ' 21' ' ' LEU . 98.5 mt -61.41 -45.15 95.53 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.877 -0.416 . . . . 54.52 109.877 176.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.464 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -67.93 -32.1 72.32 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.027 0.531 . . . . 75.32 112.127 179.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 83.0 mm-40 -67.22 -36.66 82.15 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.445 0.698 . . . . 54.02 111.056 176.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -85.43 -25.3 27.06 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 122.774 0.43 . . . . 74.24 111.419 177.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.63 15.75 42.12 Favored Glycine 0 C--N 1.343 0.925 0 CA-C-N 116.416 -0.357 . . . . 41.55 113.985 -175.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -73.59 78.74 1.48 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 123.72 0.808 . . . . 73.04 110.532 175.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.468 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 12.2 m95 -75.96 -30.03 58.48 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.351 0.66 . . . . 74.14 111.684 -176.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -64.63 -49.76 69.79 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.115 0.566 . . . . 74.35 111.496 -176.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 89.3 mt -67.44 -29.84 69.41 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 115.695 -0.684 . . . . 63.41 110.791 175.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.427 HD12 HD22 ' A' ' 21' ' ' LEU . 18.2 tp -64.83 -41.94 95.33 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.154 0.582 . . . . 52.04 110.13 176.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.553 HD21 ' HG ' ' A' 1005 ' ' LEU . 86.3 mt -72.02 -35.48 69.42 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.046 0.938 . . . . 70.23 111.208 179.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -65.19 -48.8 72.17 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 121.651 0.739 . . . . 73.11 110.749 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.445 ' HB2' HD21 ' A' ' 21' ' ' LEU . 12.0 mt-30 -89.76 -9.08 50.67 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.738 1.215 . . . . 65.41 112.333 -175.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -43.92 -58.75 2.6 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.256 1.023 . . . . 74.11 111.259 169.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.3 p -58.03 -36.31 56.03 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.904 0 CA-C-N 115.091 -0.959 . . . . 73.33 111.79 -178.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.7 m -68.14 -42.6 79.89 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.169 0.588 . . . . 43.34 111.339 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -68.09 -46.65 70.4 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.546 0.738 . . . . 63.33 111.099 -179.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.7 mt -69.18 -29.55 67.57 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 123.385 0.674 . . . . 70.23 110.814 -178.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -67.59 -45.98 73.95 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.664 0.785 . . . . 72.34 110.852 173.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.3 m -62.62 -41.9 99.27 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.495 0.718 . . . . 74.02 111.244 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 25.1 mt -57.29 -51.77 65.22 Favored 'Isoleucine or valine' 0 C--O 1.25 1.083 0 C-N-CA 124.934 1.294 . . . . 63.41 110.82 173.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -56.73 -54.67 43.55 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.956 -1.02 . . . . 72.41 111.043 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.7 t -67.28 -37.26 83.14 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 115.86 -0.609 . . . . 74.11 111.46 -173.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.7 p -69.61 -36.21 69.71 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 CA-C-N 118.292 0.496 . . . . 61.45 110.695 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 42.3 ttm -73.22 -31.02 63.9 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 116.371 -0.377 . . . . 73.44 110.519 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 . . . . . 0 CA--C 1.55 0.95 0 C-N-CA 123.265 0.626 . . . . 71.11 110.514 173.536 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.0 t . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 111.571 0.211 . . . . 52.41 111.571 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -57.55 -42.75 83.6 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.696 1.198 . . . . 72.35 111.829 -176.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.5 m -55.27 -58.13 8.96 Favored 'General case' 0 C--O 1.25 1.09 0 O-C-N 123.571 0.544 . . . . 74.05 111.252 -178.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 53.8 mt -62.79 -50.13 80.93 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 CA-C-N 114.96 -1.018 . . . . 74.23 109.713 -177.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.9 tm0? -52.66 -47.71 66.94 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 124.329 1.018 . . . . 54.23 110.558 -177.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -69.06 -47.84 64.31 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.169 0.988 . . . . 64.12 111.736 -174.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 77.4 mtm -63.41 -49.16 74.85 Favored 'General case' 0 C--O 1.255 1.376 0 CA-C-O 121.402 0.62 . . . . 74.21 110.583 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.1 t -57.62 -41.56 79.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 CA-C-N 114.694 -1.139 . . . . 54.13 111.008 174.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.446 ' O ' ' HG2' ' A' ' 69' ' ' LYS . . . -64.22 -33.94 76.96 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 123.495 0.497 . . . . 51.13 111.076 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.96 -52.06 54.68 Favored Glycine 0 C--N 1.353 1.517 0 N-CA-C 110.777 -0.929 . . . . 72.23 110.777 173.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -63.26 -29.48 70.8 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 114.925 -0.637 . . . . 74.14 112.564 177.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.428 HG23 ' HE1' ' A' 1019 ' ' MET . 19.8 mt -67.45 -44.28 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 124.391 1.076 . . . . 64.25 110.279 177.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 32.3 mmmt -65.49 -40.85 93.56 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.313 -0.403 . . . . 75.45 110.037 177.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -60.08 -55.35 35.05 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.034 0.533 . . . . 73.14 110.673 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.4 t -65.21 -43.97 89.82 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-O 118.938 -0.553 . . . . 71.3 111.484 -174.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.0 mt -68.72 -30.33 68.95 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 117.991 0.359 . . . . 73.51 111.827 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -70.88 -50.96 29.42 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-O 121.408 0.623 . . . . 71.23 110.326 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -68.32 -34.07 75.45 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 114.635 -1.166 . . . . 74.33 110.532 -177.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.407 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 40.5 tt0 -75.09 -30.67 60.97 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 123.64 0.776 . . . . 74.34 110.92 176.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -65.93 -41.3 91.54 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 121.157 0.503 . . . . 74.52 109.887 174.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 63.3 mt -67.83 -40.25 83.77 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 115.228 -0.897 . . . . 74.31 110.485 175.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.407 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 40.4 mt -61.95 -39.62 92.73 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 123.431 0.692 . . . . 75.45 110.98 171.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -63.88 -52.55 59.46 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.434 1.094 . . . . 74.44 109.638 -175.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.46 -51.05 45.54 Favored Glycine 0 C--N 1.348 1.243 0 CA-C-N 114.99 -1.004 . . . . 70.44 113.051 -179.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.464 HD22 ' HB1' ' A' ' 25' ' ' ALA . 9.4 tt -58.06 -51.31 70.22 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.695 0.798 . . . . 74.3 110.332 -177.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.496 HD13 ' HE1' ' A' 1008 ' ' TRP . 27.4 mt -77.56 -23.83 49.97 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.418 0.687 . . . . 73.22 112.412 -173.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -65.76 -53.88 34.63 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 108.708 -0.849 . . . . 63.4 108.708 170.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -59.08 -38.65 79.98 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 114.921 -1.036 . . . . 73.04 111.113 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -73.9 -51.2 16.9 Favored 'General case' 0 C--O 1.213 -0.826 0 CA-C-N 115.411 -0.813 . . . . 72.32 110.317 -172.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.629 HD11 ' HB3' ' A' 1005 ' ' LEU . 71.1 mt -62.37 -41.26 98.49 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 122.67 0.388 . . . . 63.52 111.637 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -61.0 -50.12 74.66 Favored 'General case' 0 C--O 1.247 0.931 0 O-C-N 123.897 0.748 . . . . 75.13 110.52 178.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -57.84 -56.85 16.67 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 115.136 -0.938 . . . . 73.23 110.741 176.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 86.2 mt -57.12 -40.91 78.03 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.434 1.094 . . . . 71.14 111.989 -177.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 32.8 t . . . . . 0 C--O 1.244 0.809 0 C-N-CA 123.171 0.589 . . . . 72.2 110.414 179.601 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 54.9 ttp . . . . . 0 N--CA 1.481 1.107 0 N-CA-C 112.299 0.481 . . . . 74.31 112.299 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 49.3 p -66.37 -53.87 31.01 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 116.26 -0.427 . . . . 53.12 111.599 -175.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 69.5 m -60.2 -41.6 93.33 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.173 0.589 . . . . 45.42 111.291 -177.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.76 -55.35 27.38 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 115.469 -0.787 . . . . 72.13 111.29 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1005 ' ' LEU . . . . . 0.629 ' HB3' HD11 ' A' ' 86' ' ' LEU . 27.4 mt -72.33 -27.41 62.4 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 112.819 0.674 . . . . 74.53 112.819 -174.157 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 41.6 p -77.09 -39.13 50.74 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 118.658 0.663 . . . . 72.13 110.457 176.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -60.02 -41.06 91.38 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 121.221 0.534 . . . . 71.01 109.676 170.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1008 ' ' TRP . . . . . 0.496 ' HE1' HD13 ' A' ' 82' ' ' LEU . 0.4 OUTLIER -63.5 -45.76 89.21 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 114.486 -1.234 . . . . 75.41 110.315 177.769 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1009 ' ' LEU . . . . . 0.481 HD21 ' HB2' ' A' ' 82' ' ' LEU . 38.5 mt -68.09 -35.15 77.7 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 122.741 0.416 . . . . 74.22 112.075 -177.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 6.9 t -78.66 -23.12 45.9 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 109.984 -0.376 . . . . 75.11 109.984 176.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -77.59 -28.73 51.69 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.381 0.672 . . . . 71.25 111.029 172.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1012 ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' 1008 ' ' TRP . 22.5 mt -70.44 -49.46 48.57 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 108.279 -1.008 . . . . 54.43 108.279 173.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 19.4 t70 -61.18 -32.38 72.12 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 114.076 -1.42 . . . . 74.22 110.844 177.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -71.25 -46.52 60.81 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.062 0.545 . . . . 52.14 110.437 178.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 38.0 t80 -59.66 -57.85 11.14 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.418 0.687 . . . . 75.5 110.175 177.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -42.78 -50.69 5.59 Favored 'General case' 0 C--O 1.242 0.675 0 C-N-CA 125.845 1.658 . . . . 42.42 112.325 172.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1017 ' ' ALA . . . . . 0.426 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -61.24 -61.64 2.41 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 123.933 0.771 . . . . 53.42 111.382 179.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -60.47 -33.99 73.38 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.067 0.947 . . . . 71.31 112.1 -173.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1019 ' ' MET . . . . . 0.741 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 1.9 ptm -87.26 -21.73 25.62 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 116.224 -0.443 . . . . 73.04 111.037 -174.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -78.59 -18.99 53.75 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 110.267 -0.272 . . . . 73.02 110.267 163.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1021 ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' 1017 ' ' ALA . 97.4 mt -87.74 -11.68 47.43 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.814 0.846 . . . . 75.31 111.38 174.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1022 ' ' LEU . . . . . 0.741 ' HG ' ' HA ' ' A' 1019 ' ' MET . 34.8 mt . . . . . 0 N--CA 1.498 1.954 0 C-N-CA 123.178 0.591 . . . . 51.32 111.337 172.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 111.905 0.335 . . . . 54.31 111.905 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 p -62.9 -45.71 91.25 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 122.984 0.514 . . . . 45.13 110.519 177.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 33.7 m -55.39 -54.37 44.55 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 124.583 1.177 . . . . 45.13 111.524 176.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.14 -54.81 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-N 115.339 -0.846 . . . . 72.13 110.862 -174.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -56.15 -53.25 59.32 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 123.725 0.64 . . . . 72.3 110.791 -178.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -60.39 -54.4 46.13 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.594 0.758 . . . . 73.2 111.192 -172.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.535 HD11 HG12 ' A' ' 60' ' ' ILE . 90.1 mt -62.89 -46.38 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 123.388 0.675 . . . . 53.25 111.235 -178.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.77 -36.62 84.91 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 122.871 0.468 . . . . 72.44 111.681 -175.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.472 ' O ' HG13 ' A' ' 14' ' ' ILE . 57.4 mtt180 -73.16 -48.86 31.79 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 123.444 0.465 . . . . 75.2 109.821 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 62.2 m95 -59.65 -40.7 88.58 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 111.955 0.354 . . . . 61.53 111.955 176.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.477 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 51.6 tt0 -59.65 -48.17 82.72 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.379 1.071 . . . . 72.43 109.841 176.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -58.35 -45.59 87.89 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 124.361 1.038 . . . . 63.12 110.856 -179.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.526 HG22 ' OG1' ' A' ' 71' ' ' THR . 75.6 mt -65.92 -38.93 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 123.923 0.889 . . . . 74.22 110.487 -178.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.73 -44.24 86.57 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.165 0.586 . . . . 71.33 111.586 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 85.1 mt -69.75 -43.53 72.07 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 115.58 -0.736 . . . . 74.24 110.467 -178.442 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 69.1 mt -61.31 -51.88 67.01 Favored 'General case' 0 C--O 1.214 -0.811 0 O-C-N 123.944 0.778 . . . . 75.34 110.197 177.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.434 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . 77.6 p -63.38 -35.75 81.43 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.24 0.616 . . . . 64.44 111.806 -177.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -62.78 -52.04 64.73 Favored 'General case' 0 C--O 1.251 1.132 0 C-N-CA 123.216 0.606 . . . . 74.34 110.269 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.539 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 50.4 m -55.31 -55.14 34.91 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 124.461 1.101 . . . . 75.44 110.1 176.224 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.58 HD21 ' HB2' ' A' ' 36' ' ' GLN . 85.7 mt -60.74 -32.65 71.92 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.365 1.466 . . . . 54.43 111.619 -176.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.717 HD22 ' HA ' ' A' ' 74' ' ' ASN . 37.4 tp -64.75 -54.04 37.72 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 109.335 -0.616 . . . . 73.44 109.335 176.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -57.32 -36.82 71.58 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 124.276 0.985 . . . . 53.25 111.028 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 20' ' ' SER . 95.7 mt -64.97 -45.22 86.59 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.421 0.688 . . . . 74.04 110.747 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.488 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -67.78 -34.7 77.3 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 122.813 0.445 . . . . 74.11 111.2 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -70.14 -28.15 65.13 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 124.007 0.923 . . . . 72.05 111.072 174.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.6 mtp180 -104.14 8.66 36.39 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 124.004 0.921 . . . . 75.44 112.254 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.7 20.26 77.23 Favored Glycine 0 C--N 1.351 1.408 0 N-CA-C 115.258 0.863 . . . . 62.24 115.258 173.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.515 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 41.9 mm-40 -81.53 68.27 7.81 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.939 0.895 . . . . 74.5 109.965 174.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -68.31 -30.31 69.27 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.307 0.643 . . . . 74.14 110.658 -176.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -62.84 -47.85 81.63 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.073 0.949 . . . . 74.32 110.576 176.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.2 mt -70.85 -24.46 62.53 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 115.583 -0.735 . . . . 71.13 111.53 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 78.4 mt -63.4 -54.87 29.89 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 109.096 -0.705 . . . . 72.14 109.096 169.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.445 ' HB3' HH11 ' A' 1004 ' ' ARG . 89.8 mt -66.92 -21.52 65.99 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.749 0.82 . . . . 50.15 112.272 -177.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -71.93 -58.0 3.82 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.535 0.734 . . . . 65.25 110.239 175.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.58 ' HB2' HD21 ' A' ' 21' ' ' LEU . 12.1 mt-30 -87.19 -9.04 56.2 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.602 1.161 . . . . 63.21 112.132 -173.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.402 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 1.3 tm-20 -47.03 -54.86 9.31 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 125.292 1.437 . . . . 72.41 112.088 176.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.4 p -56.15 -43.07 75.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 O-C-N 123.841 0.713 . . . . 62.2 111.57 178.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.5 m -63.77 -40.94 97.92 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.707 0.803 . . . . 63.32 111.168 -178.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.434 ' CE2' ' HB3' ' A' ' 18' ' ' SER . 48.1 t80 -69.46 -47.35 64.26 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.11 -0.95 . . . . 72.23 111.57 -177.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.425 HD11 ' HA ' ' A' 1008 ' ' TRP . 46.0 mt -70.72 -28.75 64.96 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 116.179 -0.464 . . . . 33.4 110.647 -178.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -71.13 -43.98 66.5 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.745 0.818 . . . . 75.53 110.677 176.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.45 ' HA ' HG22 ' A' ' 46' ' ' THR . 46.7 p -67.01 -37.45 84.2 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.677 0.391 . . . . 73.43 110.895 178.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 26.5 mt -57.1 -51.7 65.66 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 124.35 1.06 . . . . 71.31 110.575 171.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -57.28 -46.46 83.1 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 114.745 -1.116 . . . . 62.14 111.038 -177.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.45 HG22 ' HA ' ' A' ' 43' ' ' SER . 7.5 t -78.88 -25.85 43.92 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 115.575 -0.739 . . . . 74.45 112.086 -173.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.1 p -76.51 -35.51 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 CA-C-N 118.649 0.659 . . . . 74.42 110.149 176.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 33.7 ttm -75.73 -27.82 58.29 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.635 -0.712 . . . . 60.15 109.463 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 . . . . . 0 CA--C 1.549 0.912 0 C-N-CA 124.291 1.036 . . . . 73.23 111.094 169.857 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.8 p . . . . . 0 CA--C 1.549 0.908 0 N-CA-C 111.931 0.345 . . . . 62.33 111.931 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -56.07 -52.31 64.71 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.712 1.205 . . . . 71.42 113.019 -175.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.4 m -63.74 -47.26 81.76 Favored 'General case' 0 C--O 1.246 0.885 0 O-C-N 123.864 0.728 . . . . 75.21 111.404 -173.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.535 HG12 HD11 ' A' ' 8' ' ' ILE . 64.2 mt -60.2 -56.01 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 O-C-N 123.809 0.693 . . . . 73.22 109.694 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -57.6 -41.16 80.66 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 124.062 0.852 . . . . 72.34 110.768 -176.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -66.88 -53.99 26.73 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.606 0.762 . . . . 70.51 110.817 -176.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 71.9 mtm -63.14 -44.43 95.58 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 123.842 0.713 . . . . 74.32 110.728 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.0 t -61.93 -39.6 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 123.817 0.847 . . . . 73.3 110.862 177.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.98 -33.99 77.37 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 123.36 0.413 . . . . 41.51 110.558 176.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.23 -47.19 90.19 Favored Glycine 0 C--N 1.353 1.485 0 O-C-N 123.948 0.78 . . . . 25.23 111.486 172.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -63.65 -33.56 75.91 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.564 0.746 . . . . 60.22 111.228 178.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 24.6 mt -68.77 -46.83 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 124.922 1.289 . . . . 75.23 110.39 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -61.13 -46.35 90.92 Favored 'General case' 0 C--O 1.252 1.196 0 C-N-CA 122.984 0.514 . . . . 73.31 110.398 177.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -56.57 -60.05 4.1 Favored 'General case' 0 C--N 1.356 0.862 0 O-C-N 124.447 1.092 . . . . 54.21 110.233 178.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.526 ' OG1' HG22 ' A' ' 14' ' ' ILE . 11.1 t -68.75 -38.13 79.9 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 123.495 0.497 . . . . 74.23 112.305 -169.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.409 HD21 ' SD ' ' A' 1019 ' ' MET . 39.9 mt -67.16 -41.12 86.56 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 123.349 0.405 . . . . 62.11 111.601 178.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -73.38 -39.92 64.75 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 120.638 0.256 . . . . 74.43 111.333 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.717 ' HA ' HD22 ' A' ' 22' ' ' LEU . 94.3 m-20 -59.43 -48.21 82.5 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.944 0.898 . . . . 63.22 110.337 174.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -68.95 -32.43 72.03 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.824 1.25 . . . . 75.21 111.077 -179.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -63.36 -48.3 78.49 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.467 0.707 . . . . 75.43 109.887 177.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 96.5 mt -67.13 -38.84 86.27 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 115.193 -0.912 . . . . 75.12 110.791 177.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 25.5 mt -57.7 -44.21 85.73 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.972 0.909 . . . . 65.54 111.083 172.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -65.7 -52.75 48.91 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.142 0.977 . . . . 75.2 108.741 -173.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.54 -44.49 95.06 Favored Glycine 0 C--N 1.354 1.552 0 O-C-N 124.204 0.94 . . . . 64.43 113.471 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.488 HD22 ' HB1' ' A' ' 25' ' ' ALA . 10.4 tt -61.95 -56.44 19.15 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.789 0.835 . . . . 71.42 109.994 -178.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 23.9 mt -67.79 -25.09 65.42 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.978 0.911 . . . . 54.13 111.933 -177.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 -67.85 -54.34 19.7 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 123.13 0.269 . . . . 60.31 110.37 174.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.458 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 25.4 mt-30 -63.78 -26.44 68.64 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 123.83 0.707 . . . . 61.45 111.492 176.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -74.95 -50.2 17.5 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 109.054 -0.721 . . . . 73.34 109.054 -177.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.531 HD23 HD12 ' A' ' 89' ' ' LEU . 97.6 mt -66.32 -27.72 68.12 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.329 0.652 . . . . 74.41 111.068 176.102 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -61.37 -55.25 33.69 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.093 0.957 . . . . 72.34 109.931 174.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 84' ' ' GLN . 50.9 mt-10 -54.81 -47.77 73.61 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 115.11 -0.95 . . . . 74.04 110.594 177.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.531 HD12 HD23 ' A' ' 86' ' ' LEU . 96.3 mt -56.79 -43.42 80.89 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 124.174 0.921 . . . . 75.43 111.568 178.119 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.5 m . . . . . 0 N--CA 1.485 1.278 0 C-N-CA 122.872 0.469 . . . . 74.4 111.22 177.861 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 44.3 ttp . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 111.219 0.081 . . . . 74.01 111.219 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 32.6 p -65.51 -44.32 87.37 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 112.126 0.417 . . . . 44.24 112.126 -175.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 42.8 p -69.84 -42.27 73.81 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.358 0.263 . . . . 75.02 110.893 -177.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1004 ' ' ARG . . . . . 0.445 HH11 ' HB3' ' A' ' 34' ' ' LEU . 95.4 mtt180 -60.22 -48.59 81.09 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 123.751 0.657 . . . . 74.52 110.68 177.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1005 ' ' LEU . . . . . 0.536 ' HA ' ' HB3' ' A' 1008 ' ' TRP . 54.0 mt -73.94 -29.42 62.01 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 123.801 0.688 . . . . 70.52 112.502 -175.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 32.2 p -74.38 -39.59 62.62 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 118.593 0.633 . . . . 51.11 110.522 176.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 40.3 mmm-85 -64.08 -37.6 88.04 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-O 121.157 0.503 . . . . 62.5 110.187 171.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1008 ' ' TRP . . . . . 0.536 ' HB3' ' HA ' ' A' 1005 ' ' LEU . 1.6 t-105 -61.88 -49.33 76.66 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 114.72 -1.127 . . . . 70.51 110.258 177.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1009 ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' 1005 ' ' LEU . 80.2 mt -70.75 -35.24 72.57 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 109.175 -0.676 . . . . 75.34 109.175 -175.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 21.6 m -57.65 -47.09 83.23 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.366 1.067 . . . . 72.14 110.436 173.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -73.1 -28.4 62.25 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.283 0.633 . . . . 74.51 111.499 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1012 ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' 1008 ' ' TRP . 15.9 mt -66.36 -52.69 44.37 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 121.338 0.59 . . . . 54.22 109.686 175.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 23.8 t70 -64.35 -38.61 91.64 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 114.463 -1.244 . . . . 75.45 110.553 -176.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 55.1 t30 -67.21 -44.07 80.46 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 115.655 -0.702 . . . . 70.52 110.745 178.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 45.1 t80 -61.3 -60.52 3.61 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 123.715 0.634 . . . . 73.11 109.846 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -46.53 -50.72 16.76 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.872 1.269 . . . . 40.31 112.22 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -60.22 -59.92 4.65 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 124.09 0.869 . . . . 52.13 111.711 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -63.36 -37.19 86.29 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.987 0.915 . . . . 73.43 111.789 -174.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1019 ' ' MET . . . . . 0.499 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.3 OUTLIER -81.26 -22.25 38.83 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.816 -0.629 . . . . 62.21 110.813 -175.569 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -70.22 -36.66 74.7 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 109.546 -0.539 . . . . 42.12 109.546 166.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.55 -25.88 66.03 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.553 0.741 . . . . 71.31 111.787 176.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1022 ' ' LEU . . . . . 0.499 ' HG ' ' HA ' ' A' 1019 ' ' MET . 85.6 mt . . . . . 0 N--CA 1.495 1.787 0 C-N-CA 123.109 0.563 . . . . 73.55 111.358 170.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.4 p . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 112.83 0.678 . . . . 41.41 112.83 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 m -63.49 -37.04 85.77 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.188 0.595 . . . . 63.13 111.58 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.6 m -63.76 -55.6 21.9 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.137 0.975 . . . . 70.43 111.15 178.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 75.5 t -57.57 -49.01 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 O-C-N 123.647 0.592 . . . . 41.53 110.084 178.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.419 ' HG3' ' CZ ' ' A' ' 10' ' ' ARG . 8.6 tp10 -53.73 -50.53 65.76 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.25 1.02 . . . . 53.14 111.645 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -68.37 -55.2 12.8 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.776 0.83 . . . . 61.32 111.007 -174.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.635 HD11 HG12 ' A' ' 60' ' ' ILE . 84.6 mt -61.1 -42.31 92.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 123.959 0.904 . . . . 54.13 111.278 -178.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -74.36 -34.43 63.38 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.8 0.44 . . . . 73.11 111.232 -174.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.465 ' O ' HG13 ' A' ' 14' ' ' ILE . 82.5 mtm180 -66.65 -46.28 76.23 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 119.274 -0.393 . . . . 74.55 110.108 173.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 57.9 m95 -64.16 -33.25 75.35 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 123.134 0.271 . . . . 75.02 111.684 177.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -67.12 -40.41 86.83 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.591 0.756 . . . . 71.0 109.206 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -66.21 -42.61 88.52 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.346 -0.843 . . . . 73.54 110.369 178.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 10' ' ' ARG . 84.3 mt -68.96 -33.93 61.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.79 0.836 . . . . 74.03 110.111 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.83 -52.03 58.91 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.326 0.65 . . . . 53.2 110.328 176.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.6 mt -61.02 -44.39 97.48 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 124.285 0.991 . . . . 64.11 110.749 178.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 66.6 mt -61.56 -50.66 71.74 Favored 'General case' 0 C--O 1.211 -0.946 0 C-N-CA 123.218 0.607 . . . . 55.24 110.157 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 85.7 p -63.34 -43.79 96.71 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.162 0.585 . . . . 73.4 112.222 -175.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -71.0 -38.59 72.67 Favored 'General case' 0 C--O 1.247 0.964 0 O-C-N 123.417 0.448 . . . . 64.51 111.197 -178.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.527 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 70.4 m -64.8 -40.9 95.98 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 122.822 0.449 . . . . 64.43 110.069 174.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.595 HD13 ' HH2' ' A' 1008 ' ' TRP . 41.0 mt -65.23 -34.85 79.33 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.892 0.877 . . . . 73.4 110.492 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.2 tp -67.17 -39.62 86.5 Favored 'General case' 0 C--N 1.349 0.571 0 N-CA-C 109.77 -0.456 . . . . 73.22 109.77 176.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -58.85 -45.49 89.99 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 123.655 0.597 . . . . 63.33 110.337 173.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 20' ' ' SER . 75.9 mt -63.63 -41.1 98.29 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.095 0.958 . . . . 42.42 111.359 -178.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.516 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -70.75 -46.66 62.57 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.08 0.552 . . . . 72.24 111.314 -177.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -66.38 -32.79 74.4 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 123.941 0.776 . . . . 73.44 111.429 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -88.85 -22.8 23.01 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.344 0.658 . . . . 74.24 110.181 -177.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.97 16.99 24.23 Favored Glycine 0 C--N 1.354 1.545 0 N-CA-C 115.774 1.07 . . . . 73.03 115.774 173.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -77.78 83.59 4.13 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-N 118.793 1.297 . . . . 54.1 110.009 170.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 39.1 m95 -72.62 -31.06 64.86 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.507 0.723 . . . . 74.11 110.256 178.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -64.17 -43.56 94.78 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.69 0.796 . . . . 73.14 111.203 177.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 76.8 mt -76.69 -21.87 54.74 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 115.967 -0.56 . . . . 75.41 111.244 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.438 HD13 HD21 ' A' ' 82' ' ' LEU . 74.7 mt -63.93 -47.43 80.54 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 109.365 -0.605 . . . . 75.41 109.365 167.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.0 mt -68.7 -29.43 67.87 Favored 'General case' 0 N--CA 1.484 1.256 0 O-C-N 123.777 0.673 . . . . 73.42 112.19 177.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -69.47 -52.64 24.73 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.96 0.504 . . . . 62.43 110.067 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.475 HE21 ' N ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -80.3 -12.67 59.58 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-O 118.668 -0.682 . . . . 71.22 111.34 179.569 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.68 -56.58 6.97 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 124.439 1.096 . . . . 70.43 111.894 176.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.7 m -61.58 -37.21 77.36 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 CA-C-N 115.361 -0.836 . . . . 75.03 112.001 -178.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.9 m -71.96 -38.97 69.66 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.611 0.765 . . . . 64.04 111.408 -178.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -73.57 -46.15 49.12 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.059 0.944 . . . . 75.42 110.222 -175.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.596 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 78.9 mt -67.07 -39.6 86.89 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.73 -0.668 . . . . 72.12 110.014 178.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -60.43 -46.5 89.83 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 122.903 0.481 . . . . 70.02 111.397 176.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.2 p -63.53 -37.77 88.6 Favored 'General case' 0 C--O 1.25 1.109 0 C-N-CA 123.001 0.52 . . . . 72.31 110.819 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.8 mt -57.99 -47.52 86.43 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 C-N-CA 124.2 1.0 . . . . 72.32 111.026 171.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.596 ' HG2' ' O ' ' A' ' 41' ' ' LEU . 6.3 mm-40 -63.94 -48.93 74.57 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 122.701 0.401 . . . . 72.52 111.015 -176.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.41 HG23 ' HD2' ' A' ' 10' ' ' ARG . 4.8 t -65.5 -39.8 92.31 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 112.059 0.392 . . . . 74.31 112.059 -177.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 p -74.35 -32.52 31.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 CA-C-N 118.125 0.42 . . . . 73.32 111.368 -177.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 49.1 ttm -80.1 -21.13 43.61 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.213 0.605 . . . . 64.23 110.534 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 . . . . . 0 N--CA 1.476 0.839 0 C-N-CA 122.955 0.502 . . . . 73.14 110.283 172.823 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.9 t . . . . . 0 N--CA 1.487 1.397 0 N-CA-C 111.624 0.231 . . . . 72.25 111.624 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.9 mtp-105 -64.15 -23.68 67.41 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 123.582 0.551 . . . . 74.03 112.073 -175.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.3 m -64.93 -59.66 3.93 Favored 'General case' 0 C--O 1.245 0.834 0 C-N-CA 122.566 0.347 . . . . 73.13 110.241 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.635 HG12 HD11 ' A' ' 8' ' ' ILE . 77.8 mt -61.5 -48.81 87.09 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 C-N-CA 123.486 0.714 . . . . 74.33 109.511 179.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -55.27 -44.01 75.23 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.866 0.867 . . . . 73.34 111.873 -178.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -71.02 -47.37 59.06 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 122.877 0.471 . . . . 75.03 111.444 -178.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 75.4 mtm -61.81 -47.53 84.71 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-O 120.88 0.372 . . . . 62.23 110.357 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 39.7 t -64.37 -36.29 76.75 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.929 0 C-N-CA 124.343 1.057 . . . . 63.11 111.1 176.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.46 -27.35 66.09 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 118.394 0.543 . . . . 42.52 111.248 177.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.75 -43.58 59.01 Favored Glycine 0 C--N 1.347 1.185 0 N-CA-C 111.153 -0.779 . . . . 73.44 111.153 171.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -67.69 -27.79 67.13 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.648 0.779 . . . . 72.42 111.323 176.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.453 ' HA ' HG22 ' A' ' 71' ' ' THR . 12.0 mt -75.85 -38.24 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.597 1.159 . . . . 74.25 109.651 178.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.16 -45.77 91.93 Favored 'General case' 0 C--N 1.351 0.631 0 N-CA-C 108.629 -0.878 . . . . 75.43 108.629 172.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -59.12 -54.84 42.46 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 123.979 0.799 . . . . 51.01 110.898 -178.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.453 HG22 ' HA ' ' A' ' 68' ' ' ILE . 8.9 t -61.69 -48.4 80.97 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-O 118.955 -0.545 . . . . 65.43 111.312 -176.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.2 mt -67.75 -38.84 84.03 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 112.761 0.652 . . . . 43.45 112.761 -176.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -73.76 -52.42 13.21 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.105 0.562 . . . . 73.23 110.273 -175.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -65.23 -34.14 77.65 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 115.1 -0.955 . . . . 74.12 111.104 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -75.39 -31.26 60.39 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.237 0.615 . . . . 72.22 111.437 176.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -65.02 -40.57 95.06 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-O 121.429 0.633 . . . . 64.35 109.685 175.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 80.2 mt -71.31 -37.96 71.76 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 115.016 -0.993 . . . . 74.13 111.061 176.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 35.6 mt -58.41 -41.81 85.77 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.233 0.613 . . . . 63.43 110.452 169.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.489 ' HE3' ' O ' ' A' 1009 ' ' LEU . 19.3 tptm -63.44 -50.27 70.43 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 124.383 1.073 . . . . 72.15 109.775 -175.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.97 -54.49 34.69 Favored Glycine 0 C--N 1.346 1.12 0 O-C-N 124.689 1.243 . . . . 72.13 112.818 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.516 HD22 ' HB1' ' A' ' 25' ' ' ALA . 9.7 tt -55.97 -57.79 10.62 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 123.863 0.865 . . . . 73.14 110.755 -178.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.511 HD13 ' HE1' ' A' 1008 ' ' TRP . 44.1 mt -65.2 -32.81 74.67 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.853 0.861 . . . . 71.34 112.334 -173.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -63.11 -49.83 72.87 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 109.682 -0.488 . . . . 74.44 109.682 173.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -65.67 -36.19 82.94 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 123.69 0.619 . . . . 74.22 111.839 -178.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.427 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 11.8 mmm180 -71.74 -48.0 49.99 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 122.792 0.437 . . . . 64.54 110.24 -177.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.55 HD11 ' HB3' ' A' 1005 ' ' LEU . 97.5 mt -63.74 -31.19 72.28 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 122.7 0.4 . . . . 75.24 111.359 176.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -58.84 -55.05 40.17 Favored 'General case' 0 C--O 1.249 1.046 0 C-N-CA 124.008 0.923 . . . . 52.21 109.848 173.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -57.85 -49.68 75.87 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-N 114.659 -1.155 . . . . 75.4 110.904 177.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 91.8 mt -57.42 -45.1 84.98 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 124.179 0.924 . . . . 74.45 111.638 -175.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.9 m . . . . . 0 N--CA 1.476 0.848 0 C-N-CA 122.804 0.441 . . . . 72.12 110.965 177.901 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 58.5 ttp . . . . . 0 CA--C 1.544 0.721 0 N-CA-C 111.223 0.083 . . . . 71.04 111.223 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 42.0 p -69.32 -46.04 68.05 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 118.999 -0.524 . . . . 71.03 111.719 -173.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 63.2 m -64.25 -48.58 75.23 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 118.094 0.406 . . . . 73.42 111.651 -176.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -68.62 -38.26 80.42 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-O 118.677 -0.677 . . . . 61.52 110.974 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1005 ' ' LEU . . . . . 0.55 ' HB3' HD11 ' A' ' 86' ' ' LEU . 40.5 mt -72.91 -32.87 65.63 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-O 118.904 -0.569 . . . . 63.41 112.427 -178.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 40.5 p -72.1 -40.95 67.83 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-N 118.999 0.818 . . . . 64.22 109.764 176.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -63.63 -35.97 82.29 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.669 0.787 . . . . 64.24 110.549 173.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1008 ' ' TRP . . . . . 0.595 ' HH2' HD13 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -66.57 -44.61 81.81 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.179 0.991 . . . . 72.43 109.732 176.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1009 ' ' LEU . . . . . 0.489 ' O ' ' HE3' ' A' ' 79' ' ' LYS . 91.2 mt -66.67 -38.06 86.06 Favored 'General case' 0 C--N 1.358 0.942 0 O-C-N 123.585 0.553 . . . . 73.32 110.605 -178.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 12.9 t -75.26 -23.94 57.55 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 118.489 0.586 . . . . 74.12 110.703 177.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -77.46 -27.53 52.11 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 122.879 0.472 . . . . 62.4 111.3 171.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1012 ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' 1008 ' ' TRP . 34.1 mt -72.06 -39.78 68.78 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 108.773 -0.825 . . . . 60.24 108.773 172.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 11.8 t70 -69.81 -35.61 74.95 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 114.944 -1.025 . . . . 73.45 109.967 -178.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 9.6 t30 -66.58 -46.94 74.34 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 115.272 -0.876 . . . . 53.35 110.535 174.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 54.5 t80 -57.38 -57.38 12.9 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 123.702 0.626 . . . . 72.41 109.876 177.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -42.36 -56.72 2.87 Favored 'General case' 0 CA--C 1.549 0.94 0 O-C-N 125.092 1.495 . . . . 73.13 112.277 174.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1017 ' ' ALA . . . . . 0.437 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -60.26 -60.07 4.4 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.478 0.711 . . . . 72.33 112.021 -178.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1018 ' ' LYS . . . . . 0.454 ' HD3' HD12 ' A' 1021 ' ' LEU . 32.0 mmtp -69.64 -29.18 66.59 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.642 0.777 . . . . 73.3 112.076 -170.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1019 ' ' MET . . . . . 0.557 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.1 OUTLIER -82.5 -26.8 32.21 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 110.395 -0.224 . . . . 71.25 110.395 179.67 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -71.77 -25.47 62.04 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.451 -0.34 . . . . 74.24 110.404 168.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1021 ' ' LEU . . . . . 0.454 HD12 ' HD3' ' A' 1018 ' ' LYS . 93.6 mt -75.36 -31.12 60.43 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 118.591 -0.718 . . . . 73.22 111.315 173.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1022 ' ' LEU . . . . . 0.557 ' HG ' ' HA ' ' A' 1019 ' ' MET . 85.4 mt . . . . . 0 N--CA 1.5 2.074 0 C-N-CA 123.183 0.593 . . . . 62.23 111.533 175.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.4 m . . . . . 0 N--CA 1.482 1.167 0 N-CA-C 112.393 0.516 . . . . 75.24 112.393 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.9 m -60.05 -42.66 94.95 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 123.479 0.487 . . . . 75.41 110.496 178.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 93.7 m -57.85 -47.84 81.52 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 124.699 1.2 . . . . 73.55 111.379 177.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 84.1 t -62.46 -58.14 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 123.194 0.598 . . . . 72.41 110.271 -178.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.497 ' HB3' ' NH2' ' A' ' 10' ' ' ARG . 48.9 mt-10 -55.05 -43.63 73.99 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.487 0.715 . . . . 73.51 111.59 -177.136 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -63.93 -60.05 3.75 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 114.844 -1.071 . . . . 71.41 110.788 -176.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.594 HD11 HG12 ' A' ' 60' ' ' ILE . 80.0 mt -65.31 -45.05 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 C-N-CA 123.565 0.746 . . . . 64.04 111.599 -175.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -66.2 -39.29 89.56 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.625 0.77 . . . . 71.2 111.537 -176.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.497 ' NH2' ' HB3' ' A' ' 6' ' ' GLU . 53.1 mtm180 -85.97 -23.36 26.93 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-O 118.574 -0.727 . . . . 63.25 112.42 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 15.6 m95 -64.53 -41.77 96.17 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-N 118.648 0.658 . . . . 71.35 109.225 167.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.45 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 65.1 tt0 -60.53 -46.64 89.42 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 114.907 -1.042 . . . . 73.24 109.889 174.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -59.33 -40.38 86.15 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 123.992 0.808 . . . . 74.42 111.072 -178.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.418 HG22 ' OG1' ' A' ' 71' ' ' THR . 96.4 mt -68.58 -38.3 78.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 123.893 0.877 . . . . 72.54 110.967 178.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.13 -43.1 93.01 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 121.299 0.571 . . . . 45.5 110.804 177.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.646 ' HA ' HE21 ' A' ' 19' ' ' GLN . 84.5 mt -62.8 -49.92 73.06 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.522 1.129 . . . . 74.02 110.057 178.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.9 mt -62.1 -44.45 96.62 Favored 'General case' 0 C--O 1.209 -1.055 0 CA-C-N 115.049 -0.978 . . . . 62.02 111.138 179.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 65.5 p -66.84 -43.57 83.34 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.546 0.338 . . . . 73.14 111.459 -174.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.646 HE21 ' HA ' ' A' ' 16' ' ' LEU . 29.9 pt20 -67.86 -38.26 82.88 Favored 'General case' 0 N--CA 1.484 1.242 0 O-C-N 123.165 0.291 . . . . 71.12 111.067 178.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.527 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 73.8 m -60.52 -60.3 4.02 Favored 'General case' 0 C--N 1.356 0.862 0 O-C-N 123.67 0.606 . . . . 53.33 109.935 175.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.593 HD13 ' HH2' ' A' 1008 ' ' TRP . 37.7 mt -56.31 -30.39 62.48 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.798 1.639 . . . . 74.3 111.75 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.462 HD22 ' HA ' ' A' ' 74' ' ' ASN . 53.5 tp -66.56 -51.0 61.25 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 123.7 0.625 . . . . 71.35 110.39 177.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -60.11 -39.66 86.96 Favored 'General case' 0 N--CA 1.484 1.227 0 O-C-N 123.929 0.768 . . . . 54.44 110.598 178.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 20' ' ' SER . 64.8 mt -63.2 -46.02 88.99 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 115.585 -0.734 . . . . 73.5 110.475 179.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.469 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -61.57 -39.04 89.73 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.527 0.731 . . . . 74.44 111.216 177.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -68.82 -25.77 64.84 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 115.469 -0.787 . . . . 72.32 111.661 176.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -93.03 -1.11 56.91 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 122.986 0.514 . . . . 64.44 112.178 173.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.5 13.94 82.93 Favored Glycine 0 CA--C 1.534 1.281 0 N-CA-C 114.262 0.465 . . . . 62.32 114.262 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -80.36 75.81 7.18 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.612 1.165 . . . . 72.45 110.092 -179.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.409 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 8.5 m95 -70.4 -33.9 71.92 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 122.931 0.492 . . . . 71.53 111.655 -172.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -58.69 -40.01 82.35 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.997 0.919 . . . . 73.04 111.714 -175.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.63 -31.6 71.73 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.345 -0.843 . . . . 73.22 110.894 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' A' ' 37' ' ' GLU . 10.5 mp -70.38 -38.8 74.79 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 122.671 0.389 . . . . 74.03 110.439 172.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 30' ' ' TRP . 75.9 mt -64.44 -34.38 78.07 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.241 0.617 . . . . 74.53 111.048 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -76.45 -56.98 4.13 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.387 1.075 . . . . 74.54 110.918 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.522 ' HB2' HD21 ' A' ' 21' ' ' LEU . 15.4 mt-30 -78.43 -8.24 58.27 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.573 1.149 . . . . 74.21 112.289 -173.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 80.6 tt0 -43.8 -65.74 0.47 Allowed 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 125.095 1.358 . . . . 71.41 112.654 175.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.0 m -65.66 -26.18 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 O-C-N 123.396 0.435 . . . . 73.02 111.922 -173.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.8 m -71.2 -46.72 60.63 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.532 0.733 . . . . 51.33 110.592 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -61.82 -48.66 79.57 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.019 -0.991 . . . . 64.5 110.055 178.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 64.7 mt -71.64 -28.49 63.8 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 115.101 -0.954 . . . . 61.41 111.262 -176.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -67.91 -48.21 66.61 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.014 0.525 . . . . 74.3 110.018 175.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.5 t -61.71 -38.32 87.44 Favored 'General case' 0 CA--C 1.552 1.022 0 O-C-N 124.011 0.82 . . . . 74.01 109.928 179.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.6 mt -56.27 -51.79 59.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 124.775 1.23 . . . . 73.11 110.904 172.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -63.16 -45.49 91.61 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 114.655 -1.157 . . . . 74.22 110.976 -173.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.6 t -76.84 -32.88 57.85 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 115.497 -0.774 . . . . 62.31 112.458 -174.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.8 p -74.15 -35.41 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 CA-C-N 118.051 0.387 . . . . 71.24 110.198 178.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.447 ' SD ' ' HD2' ' A' 1018 ' ' LYS . 56.4 ttm -72.32 -30.1 64.45 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.48 -0.782 . . . . 74.45 109.871 177.361 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 . . . . . 0 CA--C 1.553 1.062 0 CA-C-N 115.725 -0.67 . . . . 63.34 110.715 172.799 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.48 1.067 0 N-CA-C 111.989 0.366 . . . . 65.31 111.989 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -51.5 68.55 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 125.145 1.378 . . . . 73.52 112.968 -173.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.4 m -60.12 -52.74 64.06 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 123.557 0.536 . . . . 52.43 111.211 -177.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.594 HG12 HD11 ' A' ' 8' ' ' ILE . 53.1 mt -62.52 -40.4 88.06 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 CA-C-N 115.584 -0.734 . . . . 75.4 110.185 -179.169 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -62.67 -52.47 63.2 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.756 0.422 . . . . 64.31 110.376 -177.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.61 -47.78 80.01 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.655 0.597 . . . . 74.45 111.214 -176.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 73.1 mtm -62.98 -60.17 3.82 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 123.349 0.405 . . . . 72.51 111.066 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.3 t -55.77 -44.75 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 123.765 0.826 . . . . 75.24 111.626 -178.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.59 -35.27 80.33 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 122.68 0.392 . . . . 74.11 111.406 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.85 -40.02 96.99 Favored Glycine 0 C--N 1.348 1.202 0 O-C-N 123.578 0.549 . . . . 71.45 112.148 175.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -73.21 -35.72 66.37 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.34 0.656 . . . . 72.53 110.658 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 37.6 mt -66.37 -44.95 90.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.246 1.018 . . . . 73.21 110.081 177.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -66.72 -40.6 88.47 Favored 'General case' 0 C--O 1.243 0.735 0 N-CA-C 109.223 -0.658 . . . . 55.11 109.223 -177.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -59.07 -56.12 26.27 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 114.509 -1.223 . . . . 73.41 110.46 176.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.418 ' OG1' HG22 ' A' ' 14' ' ' ILE . 10.2 t -70.51 -33.11 70.83 Favored 'General case' 0 C--O 1.211 -0.927 0 O-C-N 123.556 0.535 . . . . 74.2 112.086 -172.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.542 HD22 ' HG3' ' A' 1016 ' ' GLU . 51.7 mt -68.98 -40.36 78.86 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 118.149 0.431 . . . . 74.43 110.587 177.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -63.66 -52.64 59.83 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 123.5 0.5 . . . . 71.31 109.903 177.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.462 ' HA ' HD22 ' A' ' 22' ' ' LEU . 13.3 m120 -68.67 -35.84 77.74 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.256 -0.883 . . . . 53.42 111.747 -174.234 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.579 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 27.3 tt0 -78.95 -32.01 45.29 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 123.469 0.481 . . . . 54.54 111.153 -179.13 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -66.94 -39.84 87.43 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 109.212 -0.662 . . . . 61.5 109.212 175.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.4 mt -66.34 -35.23 79.84 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 114.845 -1.07 . . . . 73.12 110.874 171.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.579 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 7.9 mt -61.84 -65.06 0.75 Allowed 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.14 0.576 . . . . 71.21 110.191 176.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.525 ' HA ' HD22 ' A' 1009 ' ' LEU . 19.7 pttm -66.5 -26.72 67.3 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 112.526 0.565 . . . . 73.14 112.526 -174.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.78 -57.39 11.12 Favored Glycine 0 C--N 1.346 1.126 0 N-CA-C 112.19 -0.364 . . . . 73.42 112.19 172.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.501 ' O ' ' HG2' ' A' ' 85' ' ' ARG . 7.4 tt -58.63 -52.01 67.5 Favored 'General case' 0 C--O 1.212 -0.87 0 C-N-CA 123.483 0.713 . . . . 54.54 110.763 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.485 HD13 ' HE1' ' A' 1008 ' ' TRP . 48.7 mt -63.42 -36.1 82.6 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.512 1.125 . . . . 70.23 111.989 -176.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -62.11 -45.34 93.89 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 109.929 -0.397 . . . . 74.01 109.929 173.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -62.98 -39.54 95.02 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 124.019 0.824 . . . . 62.54 111.29 178.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 81' ' ' LEU . 31.6 mmm-85 -73.17 -47.19 45.85 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 109.863 -0.421 . . . . 74.44 109.863 -176.007 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.444 HD11 ' HB3' ' A' 1005 ' ' LEU . 96.3 mt -66.09 -25.78 67.17 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.359 0.664 . . . . 43.13 111.192 175.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -65.17 -48.19 74.38 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 108.873 -0.788 . . . . 71.22 108.873 174.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -59.03 -60.23 4.2 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 124.163 0.914 . . . . 73.44 110.374 175.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 96.2 mt -52.05 -50.35 61.67 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.212 1.405 . . . . 74.42 112.092 -176.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 N--CA 1.475 0.792 0 CA-C-O 119.347 -0.358 . . . . 60.52 110.889 -178.864 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 46.9 ttp . . . . . 0 CA--C 1.544 0.745 0 N-CA-C 111.583 0.216 . . . . 72.23 111.583 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 46.6 p -70.42 -42.04 72.13 Favored 'General case' 0 C--O 1.218 -0.57 0 C-N-CA 122.81 0.444 . . . . 53.4 110.996 -174.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 95.5 m -62.19 -45.51 93.06 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 122.983 0.513 . . . . 74.31 110.514 176.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 64.6 mtt-85 -55.49 -51.77 65.87 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 123.723 0.639 . . . . 52.3 110.78 174.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1005 ' ' LEU . . . . . 0.568 ' O ' ' HG ' ' A' 1009 ' ' LEU . 53.8 mt -68.64 -35.53 77.39 Favored 'General case' 0 C--O 1.21 -0.987 0 O-C-N 123.823 0.702 . . . . 72.34 112.258 -174.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 45.2 p -74.91 -38.51 61.81 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-N 118.94 0.791 . . . . 72.03 110.805 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -61.87 -39.07 90.63 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-O 121.648 0.737 . . . . 74.11 110.127 170.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1008 ' ' TRP . . . . . 0.593 ' HH2' HD13 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -65.64 -42.23 91.69 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 114.711 -1.131 . . . . 73.43 109.972 177.27 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1009 ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' 1005 ' ' LEU . 62.0 mt -70.45 -33.68 71.58 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 122.959 0.504 . . . . 74.33 111.437 -178.046 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 5.3 t -74.64 -30.27 61.56 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 109.857 -0.423 . . . . 74.24 109.857 176.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -72.91 -30.76 64.16 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.33 0.652 . . . . 54.44 111.238 173.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1012 ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' 1008 ' ' TRP . 20.4 mt -69.66 -46.09 66.91 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 121.456 0.646 . . . . 64.4 109.54 175.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 24.1 t70 -63.09 -37.99 89.4 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 114.93 -1.032 . . . . 73.4 110.283 177.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 6.2 t30 -64.33 -44.58 91.08 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.869 0.868 . . . . 61.12 111.046 176.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 40.8 t80 -62.02 -58.95 5.92 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 123.698 0.624 . . . . 70.21 109.821 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1016 ' ' GLU . . . . . 0.542 ' HG3' HD22 ' A' ' 72' ' ' LEU . 34.5 tt0 -54.78 -44.53 73.79 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 123.969 0.793 . . . . 73.24 111.684 -177.634 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1017 ' ' ALA . . . . . 0.424 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -63.97 -57.49 9.58 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.203 0.601 . . . . 62.11 111.729 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1018 ' ' LYS . . . . . 0.447 ' HD2' ' SD ' ' A' ' 48' ' ' MET . 1.0 OUTLIER -69.47 -33.01 72.28 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.808 0.843 . . . . 73.02 110.383 -173.174 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1019 ' ' MET . . . . . 0.567 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.1 OUTLIER -77.56 -25.57 50.18 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.948 -0.47 . . . . 73.33 110.21 179.23 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -69.55 -30.73 68.61 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 110.022 -0.362 . . . . 63.42 110.022 166.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1021 ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' 1017 ' ' ALA . 80.9 mt -72.78 -21.14 61.04 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.23 0.612 . . . . 63.31 111.721 174.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1022 ' ' LEU . . . . . 0.567 ' HG ' ' HA ' ' A' 1019 ' ' MET . 90.6 mt . . . . . 0 N--CA 1.496 1.863 0 CA-C-N 118.009 0.368 . . . . 53.32 110.572 168.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.3 m . . . . . 0 N--CA 1.486 1.352 0 N-CA-C 112.912 0.708 . . . . 65.11 112.912 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.7 p -62.03 -42.0 98.7 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.802 0.441 . . . . 33.13 110.941 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 33.4 m -62.76 -58.39 7.62 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.817 1.247 . . . . 72.43 111.515 -177.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.8 p -61.87 -38.82 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 123.701 0.8 . . . . 51.21 110.857 -178.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -61.16 -50.11 74.49 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.724 0.809 . . . . 55.53 110.737 -179.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -65.96 -46.62 77.43 Favored 'General case' 0 CA--C 1.552 1.039 0 CA-C-N 114.653 -1.158 . . . . 64.45 111.469 -177.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.415 HG23 ' HE1' ' A' ' 67' ' ' TYR . 91.0 mt -68.96 -33.65 60.11 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 C-N-CA 124.322 1.049 . . . . 60.54 111.196 -178.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -73.96 -32.52 63.5 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 122.916 0.486 . . . . 63.42 111.279 177.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.423 ' O ' HG13 ' A' ' 14' ' ' ILE . 68.2 mtt180 -64.42 -51.63 62.19 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 109.853 -0.425 . . . . 71.15 109.853 172.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 54.4 m95 -61.5 -34.09 74.89 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 123.574 0.547 . . . . 70.24 111.772 176.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.438 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 60.7 tt0 -61.4 -50.09 74.27 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.321 0.648 . . . . 53.4 109.383 176.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -57.45 -46.47 83.59 Favored 'General case' 0 C--O 1.21 -0.995 0 O-C-N 124.219 0.949 . . . . 62.44 111.149 177.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.461 HG22 ' OG1' ' A' ' 71' ' ' THR . 77.6 mt -64.99 -38.02 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 123.27 0.628 . . . . 73.12 111.573 -176.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.18 -46.7 66.88 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 122.558 0.343 . . . . 54.45 111.167 177.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 84.5 mt -65.8 -39.9 91.38 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.357 0.663 . . . . 71.1 110.776 -179.375 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.3 mt -69.77 -49.48 52.53 Favored 'General case' 0 C--O 1.212 -0.896 0 C-N-CA 123.774 0.83 . . . . 72.44 110.148 -178.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.8 p -60.83 -36.76 79.92 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 118.15 0.432 . . . . 60.31 110.922 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -65.22 -49.36 70.0 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.486 0.715 . . . . 71.01 111.315 176.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.405 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 59.5 m -59.56 -55.74 30.66 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.741 0.816 . . . . 73.41 110.628 179.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.572 HD13 ' HH2' ' A' 1008 ' ' TRP . 66.9 mt -58.7 -31.8 68.57 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.12 1.368 . . . . 71.11 111.574 179.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.6 tp -65.41 -50.17 66.49 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 122.609 0.364 . . . . 73.43 110.535 175.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.473 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 48.4 mt-10 -55.76 -48.57 75.03 Favored 'General case' 0 N--CA 1.482 1.151 0 O-C-N 124.308 1.005 . . . . 74.24 109.949 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.465 HD22 ' HG2' ' A' ' 29' ' ' GLU . 64.9 mt -59.23 -47.54 84.98 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 114.369 -1.287 . . . . 52.22 110.854 179.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.497 ' HB2' HD21 ' A' ' 33' ' ' LEU . . . -64.11 -36.41 83.95 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.408 0.683 . . . . 62.15 111.745 -178.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -67.39 -38.8 85.28 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.264 0.626 . . . . 54.5 110.493 176.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 25.7 mmm180 -79.02 -14.39 59.21 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.076 0.55 . . . . 75.04 111.826 -179.148 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.0 7.27 58.69 Favored Glycine 0 N--CA 1.476 1.343 0 O-C-N 123.003 0.189 . . . . 71.13 113.391 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.465 ' HG2' HD22 ' A' ' 24' ' ' LEU . 10.6 tp10 -76.39 95.22 3.77 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.434 1.094 . . . . 65.1 110.986 176.197 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 29.1 m95 -90.39 -30.28 17.49 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 123.492 0.717 . . . . 72.34 112.692 -177.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -64.88 -39.44 93.54 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.624 0.77 . . . . 71.35 111.637 -172.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.412 ' HB2' HD13 ' A' ' 24' ' ' LEU . 81.8 mt -74.72 -21.33 59.43 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 116.503 -0.317 . . . . 70.11 111.316 178.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.497 HD21 ' HB2' ' A' ' 25' ' ' ALA . 10.4 mp -69.92 -45.54 67.31 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 109.352 -0.61 . . . . 72.04 109.352 170.281 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.62 -31.84 73.13 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 124.0 0.812 . . . . 74.55 111.379 177.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -76.73 -52.84 8.85 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 120.968 0.413 . . . . 74.34 110.922 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.517 ' HB2' HD21 ' A' ' 21' ' ' LEU . 14.7 mt-30 -78.78 -9.94 59.61 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.941 0.896 . . . . 72.53 112.618 -176.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.487 ' HG3' ' HE3' ' A' 1008 ' ' TRP . 34.5 tt0 -44.43 -51.74 8.4 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.629 1.172 . . . . 51.14 112.127 175.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.3 p -56.7 -45.12 82.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 O-C-N 123.833 0.708 . . . . 73.55 111.622 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.1 m -70.88 -40.06 72.47 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.509 0.724 . . . . 73.33 112.06 -174.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -69.93 -49.79 48.49 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.383 0.673 . . . . 75.31 110.676 -177.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.9 mt -68.16 -31.41 70.94 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 123.845 0.716 . . . . 74.23 110.968 -179.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -66.73 -44.31 81.89 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.054 0.542 . . . . 73.2 110.656 175.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.445 ' HA ' HG22 ' A' ' 46' ' ' THR . 9.2 t -67.02 -38.63 86.28 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.314 0.646 . . . . 75.23 110.235 -178.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.8 mt -58.02 -50.72 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.807 1.243 . . . . 63.44 110.53 172.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -63.78 -42.19 97.8 Favored 'General case' 0 C--N 1.345 0.411 0 CA-C-N 115.163 -0.926 . . . . 74.34 110.598 -175.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.445 HG22 ' HA ' ' A' ' 43' ' ' SER . 14.3 t -79.02 -25.75 43.25 Favored 'General case' 0 CA--C 1.548 0.868 0 O-C-N 123.359 0.412 . . . . 72.55 111.95 -174.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.5 p -79.5 -32.99 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 CA-C-N 118.558 0.617 . . . . 44.44 110.697 175.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.7 ttm -75.94 -34.98 59.87 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.781 -0.645 . . . . 61.1 109.492 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 . . . . . 0 N--CA 1.47 0.555 0 CA-C-N 115.219 -0.901 . . . . 73.35 110.297 171.968 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 112.102 0.408 . . . . 63.32 112.102 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 -55.35 -30.78 60.95 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.393 1.077 . . . . 72.41 112.76 -176.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.1 m -66.45 -58.04 6.09 Favored 'General case' 0 C--O 1.248 1.002 0 C-N-CA 122.842 0.457 . . . . 73.33 111.19 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 62.6 mt -63.5 -42.56 96.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 115.502 -0.772 . . . . 74.53 109.329 -177.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -61.13 -39.94 91.94 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.791 0.836 . . . . 72.51 111.066 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -63.19 -52.91 60.4 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.161 0.585 . . . . 71.1 110.858 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 69.2 mtm -67.79 -49.52 61.94 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 115.448 -0.796 . . . . 73.25 111.594 -175.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.7 t -59.83 -48.01 89.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 123.832 0.853 . . . . 63.33 111.105 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.487 ' HA ' ' HB ' ' A' ' 68' ' ' ILE . . . -66.5 -27.64 67.94 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 123.204 0.315 . . . . 71.22 111.293 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.36 -53.24 47.23 Favored Glycine 0 C--N 1.352 1.468 0 N-CA-C 111.494 -0.642 . . . . 64.01 111.494 171.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.415 ' HE1' HG23 ' A' ' 8' ' ' ILE . 25.1 m-85 -60.17 -34.39 73.52 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 114.919 -0.64 . . . . 70.5 111.692 176.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.487 ' HB ' ' HA ' ' A' ' 65' ' ' ALA . 20.8 mt -64.26 -50.21 77.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.843 1.257 . . . . 64.32 111.044 179.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 74.0 mmtt -66.37 -40.77 89.94 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 120.64 0.257 . . . . 73.21 110.51 -178.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -61.57 -50.59 72.0 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.427 -0.806 . . . . 75.11 110.915 177.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.461 ' OG1' HG22 ' A' ' 14' ' ' ILE . 6.3 t -73.68 -34.85 65.08 Favored 'General case' 0 C--O 1.213 -0.851 0 CA-C-O 119.236 -0.411 . . . . 63.14 111.827 -173.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.445 HD21 ' SD ' ' A' 1019 ' ' MET . 43.6 mt -67.66 -40.73 84.47 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 117.964 0.347 . . . . 75.11 110.645 177.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -63.53 -50.77 68.25 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.952 0.501 . . . . 74.42 110.807 176.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.429 HD22 ' N ' ' A' ' 74' ' ' ASN . 0.8 OUTLIER -73.11 -32.97 65.28 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 115.078 -0.965 . . . . 43.02 111.343 -172.275 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.448 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 30.1 tt0 -79.67 -28.42 40.74 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 122.975 0.51 . . . . 72.0 110.479 176.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -65.69 -39.56 91.39 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-O 121.205 0.526 . . . . 62.21 109.799 172.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.1 mt -69.25 -39.43 78.49 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 115.163 -0.926 . . . . 75.35 110.9 174.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.448 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 20.3 mt -60.07 -48.75 80.4 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.353 0.661 . . . . 73.41 110.922 172.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -65.59 -43.88 88.33 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.515 1.126 . . . . 62.5 109.98 -173.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.35 -50.62 55.0 Favored Glycine 0 C--N 1.345 1.049 0 CA-C-N 115.024 -0.989 . . . . 74.33 112.583 177.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.401 HD22 ' HB1' ' A' ' 25' ' ' ALA . 10.1 tt -61.71 -46.6 88.98 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.704 0.802 . . . . 65.21 111.041 -177.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.401 ' HB2' HD21 ' A' 1009 ' ' LEU . 39.5 mt -76.67 -35.59 57.83 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.632 0.773 . . . . 74.13 111.801 -172.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 26.1 tp60 -67.89 -43.55 79.06 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 109.553 -0.536 . . . . 61.22 109.553 175.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.3 tm0? -58.81 -45.44 89.95 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.652 1.181 . . . . 72.22 110.52 175.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.8 -55.77 13.4 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 115.271 -0.877 . . . . 71.15 109.884 -174.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.484 HD11 ' HB3' ' A' 1005 ' ' LEU . 94.9 mt -60.79 -31.32 70.7 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.994 0.918 . . . . 74.12 111.693 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -60.4 -54.78 41.46 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.944 0.897 . . . . 74.14 109.88 175.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -64.33 -41.19 96.91 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 115.156 -0.929 . . . . 74.14 111.36 178.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 85.0 mt -58.56 -43.38 89.35 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.113 0.965 . . . . 73.21 110.703 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 67.4 m . . . . . 0 N--CA 1.476 0.861 0 C-N-CA 122.969 0.507 . . . . 72.41 111.017 177.164 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 52.3 ttp . . . . . 0 N--CA 1.474 0.754 0 CA-C-O 120.372 0.13 . . . . 73.22 110.725 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 28.2 p -66.07 -47.72 73.35 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 123.576 0.548 . . . . 61.41 111.979 -176.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 65.2 p -70.11 -35.54 74.19 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 111.797 0.295 . . . . 74.43 111.797 -176.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 57.1 mtt-85 -63.92 -46.84 82.98 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.521 0.328 . . . . 74.13 110.154 174.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1005 ' ' LEU . . . . . 0.546 ' HA ' ' HB3' ' A' 1008 ' ' TRP . 41.8 mt -73.55 -28.21 61.74 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.625 0.602 . . . . 72.51 112.625 -177.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 35.0 p -73.25 -41.73 63.35 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 118.775 0.716 . . . . 74.42 109.733 175.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 56.1 ttt180 -64.88 -33.77 76.81 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.236 0.541 . . . . 75.53 110.154 174.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1008 ' ' TRP . . . . . 0.572 ' HH2' HD13 ' A' ' 21' ' ' LEU . 1.3 t-105 -62.96 -50.76 69.5 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.436 1.094 . . . . 75.14 109.982 175.043 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1009 ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' 1005 ' ' LEU . 98.7 mt -63.14 -37.84 88.81 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.272 0.629 . . . . 74.54 111.826 -177.282 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 13.4 t -76.24 -27.04 56.62 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 122.483 -0.136 . . . . 63.44 110.834 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -73.26 -30.58 63.54 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 122.57 0.348 . . . . 62.24 110.668 173.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1012 ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' 1008 ' ' TRP . 26.9 mt -68.3 -42.91 78.76 Favored 'General case' 0 C--N 1.356 0.854 0 C-N-CA 123.34 0.656 . . . . 72.43 109.3 174.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 29.6 t70 -66.21 -39.88 89.96 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.478 -0.783 . . . . 62.34 111.289 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 46.9 t30 -62.95 -46.12 89.24 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.487 0.715 . . . . 75.4 109.628 178.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 56.6 t80 -57.49 -62.5 1.74 Allowed 'General case' 0 C--N 1.357 0.904 0 O-C-N 123.943 0.777 . . . . 72.31 110.407 174.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -44.36 -53.62 6.61 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 126.267 1.827 . . . . 73.33 112.492 -177.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -68.96 -52.63 26.97 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.338 -0.846 . . . . 70.23 111.557 -176.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -63.38 -35.63 81.05 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 121.428 0.632 . . . . 73.14 111.279 -177.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1019 ' ' MET . . . . . 0.635 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.3 OUTLIER -80.77 -24.45 38.63 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.168 -0.469 . . . . 72.34 110.957 -176.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -69.22 -31.92 70.82 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.912 -0.403 . . . . 63.41 109.912 168.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 96.6 mt -71.99 -29.84 64.63 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 118.52 -0.752 . . . . 75.11 112.254 176.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1022 ' ' LEU . . . . . 0.635 ' HG ' ' HA ' ' A' 1019 ' ' MET . 85.7 mt . . . . . 0 N--CA 1.503 2.18 0 O-C-N 123.67 0.606 . . . . 74.22 111.957 174.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.4 m . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 119.787 -0.149 . . . . 72.53 110.836 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 m -51.85 -46.89 64.58 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.003 0.921 . . . . 71.21 111.477 177.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 48.5 m -56.87 -58.92 6.04 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 114.203 -1.362 . . . . 73.24 111.662 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.2 t -62.27 -54.71 30.69 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.799 0 CA-C-N 115.486 -0.779 . . . . 71.21 109.817 -175.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -48.9 -51.38 30.29 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.77 0.828 . . . . 73.53 112.82 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -67.43 -54.01 24.04 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 115.496 -0.775 . . . . 73.31 111.623 -174.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.576 HD11 HG12 ' A' ' 60' ' ' ILE . 95.9 mt -63.84 -39.05 84.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 115.076 -0.965 . . . . 71.14 111.043 -177.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.505 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 0.8 OUTLIER -69.53 -40.02 77.16 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.301 0.64 . . . . 70.51 110.52 -178.158 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.481 ' HD3' ' HA ' ' A' ' 47' ' ' VAL . 70.1 mtt85 -61.37 -54.17 47.21 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 123.538 0.524 . . . . 74.45 110.666 174.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -58.51 -33.11 69.48 Favored 'General case' 0 N--CA 1.484 1.229 0 O-C-N 123.656 0.598 . . . . 62.05 111.977 177.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.414 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 62.8 tt0 -63.07 -46.01 89.47 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.193 0.997 . . . . 71.22 109.905 176.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 71.1 mmt-85 -60.51 -46.02 91.67 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 123.727 0.642 . . . . 74.22 109.966 177.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 10' ' ' ARG . 64.3 mt -62.68 -39.24 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.038 0.935 . . . . 73.33 111.215 -176.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.47 -43.76 69.11 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 122.851 0.46 . . . . 73.24 111.047 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.589 ' HA ' HE21 ' A' ' 19' ' ' GLN . 96.0 mt -61.11 -45.9 92.8 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.77 0.828 . . . . 72.3 110.133 177.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 71.9 mt -65.53 -50.23 65.99 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-N 115.171 -0.922 . . . . 71.22 110.151 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.7 p -64.14 -37.65 88.22 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 112.43 0.53 . . . . 65.2 112.43 -175.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.589 HE21 ' HA ' ' A' ' 16' ' ' LEU . 27.6 pt20 -71.77 -41.43 68.37 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 123.101 0.25 . . . . 74.11 110.414 178.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.514 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 66.6 m -60.5 -46.11 91.31 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 123.535 0.522 . . . . 72.45 110.305 175.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.585 HD13 ' HH2' ' A' 1008 ' ' TRP . 61.8 mt -64.89 -35.26 80.56 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.63 1.172 . . . . 61.02 110.576 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.0 tp -63.59 -42.69 98.25 Favored 'General case' 0 C--N 1.347 0.495 0 N-CA-C 109.577 -0.527 . . . . 75.14 109.577 177.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.46 ' O ' ' HD3' ' A' ' 27' ' ' ARG . 6.0 mm-40 -61.8 -45.59 93.19 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 123.498 0.499 . . . . 71.35 110.945 176.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 20' ' ' SER . 60.6 mt -61.7 -42.25 98.69 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.798 0.839 . . . . 62.34 111.125 -179.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.455 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -71.59 -41.55 68.82 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.333 0.653 . . . . 72.43 111.71 -177.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -67.43 -35.05 78.47 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.497 -0.774 . . . . 73.23 111.338 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.46 ' HD3' ' O ' ' A' ' 23' ' ' GLU . 6.7 mpt_? -88.22 -21.56 24.46 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 122.638 0.375 . . . . 60.53 111.423 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.33 20.17 18.63 Favored Glycine 0 C--N 1.35 1.312 0 N-CA-C 115.553 0.981 . . . . 74.32 115.553 177.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -79.39 74.82 6.0 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-N 117.832 0.816 . . . . 64.13 109.808 166.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.403 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 33.5 m95 -68.47 -30.24 69.06 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.646 0.779 . . . . 75.4 109.849 178.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -59.69 -49.9 75.95 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 114.095 -1.411 . . . . 71.14 110.344 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.7 mt -75.37 -19.23 59.69 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 115.043 -0.981 . . . . 73.04 110.954 -177.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.74 -50.1 68.2 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 109.476 -0.564 . . . . 71.55 109.476 167.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 30' ' ' TRP . 73.4 mt -68.39 -23.01 64.6 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 123.897 0.748 . . . . 73.41 111.741 -179.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -72.82 -59.06 2.89 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.48 0.712 . . . . 74.54 110.5 175.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.93 -11.16 59.91 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.0 0.52 . . . . 63.33 112.009 -178.305 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.404 ' HG3' ' CE3' ' A' 1008 ' ' TRP . 35.5 tt0 -45.43 -59.58 2.62 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.166 1.387 . . . . 64.14 112.67 178.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.5 m -60.72 -33.93 56.94 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 O-C-N 123.999 0.812 . . . . 53.35 111.669 -176.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.9 m -69.66 -39.52 76.99 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.946 0.899 . . . . 73.45 110.779 178.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -71.69 -44.6 63.94 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.516 -0.765 . . . . 71.35 110.448 -177.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 67.3 mt -71.26 -29.36 65.0 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.267 0.627 . . . . 73.12 110.696 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -66.75 -50.04 64.0 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 116.239 -0.437 . . . . 73.22 110.748 173.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.488 ' HA ' HG22 ' A' ' 46' ' ' THR . 66.2 p -64.21 -36.94 85.71 Favored 'General case' 0 CA--C 1.551 0.995 0 O-C-N 123.84 0.713 . . . . 55.52 110.751 -177.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.2 mt -57.58 -53.28 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 124.602 1.161 . . . . 72.43 110.858 171.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -63.93 -43.99 94.22 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.862 -0.608 . . . . 73.03 111.147 -174.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.488 HG22 ' HA ' ' A' ' 43' ' ' SER . 14.2 t -73.54 -29.75 62.65 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.334 0.653 . . . . 60.21 110.929 -175.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.481 ' HA ' ' HD3' ' A' ' 10' ' ' ARG . 2.3 p -78.45 -33.1 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 CA-C-N 118.122 0.419 . . . . 71.02 111.208 177.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 34.5 ttm -74.04 -29.49 61.94 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 109.191 -0.67 . . . . 73.32 109.191 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 . . . . . 0 CA--C 1.55 0.975 0 CA-C-N 115.709 -0.678 . . . . 72.21 110.385 167.31 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 C--O 1.244 0.785 0 CA-C-O 120.366 0.127 . . . . 45.02 110.825 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.1 mtp-105 -66.51 -21.46 66.17 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 112.657 0.614 . . . . 55.43 112.657 -172.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 64.5 p -67.45 -51.29 53.29 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 122.751 0.421 . . . . 71.31 109.949 177.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.576 HG12 HD11 ' A' ' 8' ' ' ILE . 57.0 mt -58.23 -51.23 73.72 Favored 'Isoleucine or valine' 0 C--N 1.362 1.115 0 O-C-N 123.865 0.728 . . . . 73.43 109.308 174.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -55.61 -41.33 73.31 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 124.302 1.002 . . . . 52.04 111.529 -176.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -73.39 -50.94 19.22 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.288 0.635 . . . . 64.34 111.52 -176.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 73.5 mtm -62.92 -45.81 90.75 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.559 0.343 . . . . 72.13 110.681 -178.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.0 t -62.81 -45.58 98.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 123.876 0.87 . . . . 73.44 111.036 177.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.26 -24.61 67.36 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-N 117.893 0.315 . . . . 55.45 111.245 177.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.59 -44.3 50.01 Favored Glycine 0 C--N 1.348 1.244 0 N-CA-C 111.308 -0.717 . . . . 63.14 111.308 173.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -69.05 -33.48 73.66 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.288 0.635 . . . . 73.12 111.042 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 22.3 mt -68.95 -47.77 73.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 124.681 1.193 . . . . 75.35 109.562 178.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -66.23 -40.28 90.16 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.035 -0.53 . . . . 75.23 109.952 -178.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -60.81 -53.51 56.42 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 124.449 1.093 . . . . 74.45 109.416 177.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.454 ' OG1' HG22 ' A' ' 14' ' ' ILE . 5.3 t -71.52 -33.66 69.4 Favored 'General case' 0 C--O 1.207 -1.161 0 CA-C-O 118.761 -0.637 . . . . 75.22 112.336 -172.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.441 HD21 ' SD ' ' A' 1019 ' ' MET . 34.0 mt -72.05 -39.4 69.09 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 118.291 0.496 . . . . 75.53 110.836 178.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -68.34 -46.06 71.2 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-O 121.498 0.666 . . . . 64.14 110.472 179.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.436 HD22 ' N ' ' A' ' 74' ' ' ASN . 0.8 OUTLIER -72.14 -38.01 69.3 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 114.843 -1.071 . . . . 73.01 110.607 -176.613 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.435 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 34.9 tt0 -71.66 -31.82 67.23 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 123.798 0.686 . . . . 51.52 110.332 175.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -58.17 -53.99 52.02 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 109.073 -0.714 . . . . 71.23 109.073 174.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.8 mt -60.46 -40.74 92.28 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.594 -1.185 . . . . 74.03 111.151 177.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.435 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 21.2 mt -56.1 -60.43 3.49 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.757 0.823 . . . . 65.01 111.554 174.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -70.49 -28.31 64.88 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.56 0.744 . . . . 74.21 111.597 -168.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.78 -47.64 19.54 Favored Glycine 0 C--N 1.349 1.282 0 O-C-N 123.578 0.549 . . . . 71.54 111.941 174.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.455 HD22 ' HB1' ' A' ' 25' ' ' ALA . 7.2 tt -58.27 -47.7 82.79 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.828 0.851 . . . . 72.41 110.283 176.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.469 HD13 ' HE1' ' A' 1008 ' ' TRP . 41.5 mt -72.25 -31.87 66.18 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.826 1.25 . . . . 74.11 111.489 -176.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -61.15 -53.73 53.33 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 109.867 -0.42 . . . . 63.13 109.867 173.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.404 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 8.6 tt0 -68.98 -32.48 72.08 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.217 -0.901 . . . . 71.15 111.144 -178.263 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.42 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 27.4 tpt180 -70.23 -47.08 63.0 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.713 0.405 . . . . 75.1 109.933 -179.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.538 HD11 ' HB3' ' A' 1005 ' ' LEU . 83.6 mt -63.54 -32.0 73.34 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 123.461 0.476 . . . . 71.22 110.663 175.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -62.23 -44.18 97.16 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.199 0.6 . . . . 71.3 110.352 174.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 84' ' ' GLN . 46.3 mt-10 -60.27 -55.97 27.27 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.563 0.745 . . . . 72.52 110.204 175.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.504 HD12 HD23 ' A' ' 86' ' ' LEU . 74.0 mt -54.42 -44.01 72.04 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.686 1.195 . . . . 64.41 111.141 -178.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 70.4 m . . . . . 0 N--CA 1.475 0.786 0 C-N-CA 123.554 0.742 . . . . 65.42 111.595 179.21 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 50.1 ttp . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 112.318 0.488 . . . . 72.44 112.318 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 33.7 p -71.53 -48.21 50.17 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 118.898 -0.572 . . . . 62.51 111.51 -174.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 5.4 t -63.22 -43.14 98.95 Favored 'General case' 0 C--N 1.359 1.014 0 CA-C-N 118.248 0.476 . . . . 75.24 110.047 -177.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 71.3 mtt-85 -60.82 -57.02 14.42 Favored 'General case' 0 C--N 1.357 0.899 0 CA-C-N 115.567 -0.742 . . . . 71.1 110.376 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1005 ' ' LEU . . . . . 0.6 ' HA ' ' HB3' ' A' 1008 ' ' TRP . 72.4 mt -67.27 -26.12 66.4 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.062 0.764 . . . . 62.25 113.062 -174.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 42.2 p -71.63 -48.95 44.47 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 118.951 0.796 . . . . 72.22 110.103 174.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 34.8 mtt180 -61.5 -31.73 71.72 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-O 121.179 0.514 . . . . 65.32 110.373 175.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1008 ' ' TRP . . . . . 0.6 ' HB3' ' HA ' ' A' 1005 ' ' LEU . 4.1 t-105 -70.32 -45.81 65.47 Favored 'General case' 0 C--O 1.218 -0.597 0 C-N-CA 125.235 1.414 . . . . 73.11 111.055 -178.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1009 ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' 1005 ' ' LEU . 71.5 mt -71.05 -34.5 71.29 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 109.062 -0.718 . . . . 64.32 109.062 -177.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 84.5 m -59.62 -44.23 93.53 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 114.837 -1.074 . . . . 63.3 110.469 169.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -71.77 -28.95 63.97 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.701 0.8 . . . . 42.03 111.858 -178.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1012 ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' 1008 ' ' TRP . 22.8 mt -73.14 -41.09 64.34 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 109.267 -0.642 . . . . 73.4 109.267 178.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 29.2 t70 -73.98 -31.72 63.11 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 115.543 -0.753 . . . . 72.12 110.391 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 54.8 t30 -65.14 -46.42 81.02 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.021 0.928 . . . . 63.3 109.557 175.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 47.5 t80 -57.6 -62.02 2.09 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 114.699 -1.137 . . . . 74.34 110.188 174.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -49.62 -42.98 46.32 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 124.682 1.239 . . . . 75.02 111.847 -178.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -64.61 -63.4 1.14 Allowed 'General case' 0 C--N 1.348 0.528 0 O-C-N 123.816 0.697 . . . . 73.13 111.285 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 14.6 mptt -61.91 -34.03 75.32 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.579 0.352 . . . . 74.45 111.575 -176.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1019 ' ' MET . . . . . 0.625 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.1 OUTLIER -78.83 -32.25 46.1 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.486 -0.324 . . . . 75.33 110.528 -173.508 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -70.76 -31.1 67.78 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 120.842 0.354 . . . . 74.11 110.521 170.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 95.5 mt -82.6 -14.4 54.86 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-O 118.279 -0.867 . . . . 74.32 112.169 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1022 ' ' LEU . . . . . 0.625 ' HG ' ' HA ' ' A' 1019 ' ' MET . 45.4 mt . . . . . 0 N--CA 1.502 2.144 0 C-N-CA 123.57 0.748 . . . . 75.21 111.711 176.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 N--CA 1.474 0.759 0 CA-C-O 119.741 -0.171 . . . . 72.35 110.72 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.8 m -61.71 -35.1 77.08 Favored 'General case' 0 C--N 1.349 0.572 0 C-N-CA 123.267 0.627 . . . . 64.42 110.751 -178.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.9 m -61.82 -58.92 6.11 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.407 1.083 . . . . 43.04 111.57 176.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.7 p -64.33 -37.96 81.31 Favored 'Isoleucine or valine' 0 C--N 1.358 0.962 0 O-C-N 123.273 0.358 . . . . 75.24 110.78 -174.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -61.96 -59.25 5.39 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 109.431 -0.581 . . . . 74.31 109.431 177.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -48.62 -49.55 36.59 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.889 1.275 . . . . 74.34 111.724 -176.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.543 HD11 HG12 ' A' ' 60' ' ' ILE . 75.7 mt -69.46 -42.61 80.98 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.974 0 CA-C-N 115.341 -0.845 . . . . 73.51 111.45 -177.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.62 -24.93 61.13 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 122.772 0.429 . . . . 73.1 111.732 -179.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -77.36 -49.7 14.36 Favored 'General case' 0 C--O 1.219 -0.512 0 N-CA-C 108.657 -0.868 . . . . 74.14 108.657 178.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 53.8 m95 -58.32 -38.28 76.8 Favored 'General case' 0 N--CA 1.485 1.29 0 O-C-N 123.522 0.514 . . . . 73.51 110.99 173.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.414 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 62.8 tt0 -61.0 -50.58 72.82 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 123.987 0.805 . . . . 74.21 109.929 176.075 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -57.36 -44.15 84.1 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 124.466 1.104 . . . . 73.13 111.22 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 84.3 mt -69.13 -36.73 74.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.338 1.055 . . . . 73.03 110.647 -178.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.1 -43.92 90.53 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.026 0.53 . . . . 43.34 110.465 177.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.609 ' HA ' HE21 ' A' ' 19' ' ' GLN . 95.8 mt -63.92 -47.51 80.24 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 124.513 1.125 . . . . 72.45 110.351 178.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.5 mt -63.25 -42.79 99.21 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.702 0.801 . . . . 71.15 110.645 178.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.7 t -66.38 -45.85 78.65 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.226 0.611 . . . . 65.44 110.787 -174.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.609 HE21 ' HA ' ' A' ' 16' ' ' LEU . 30.2 pt20 -70.81 -35.24 72.42 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 123.456 0.472 . . . . 73.23 110.825 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.2 m -62.4 -54.81 34.79 Favored 'General case' 0 C--N 1.36 1.033 0 O-C-N 123.365 0.416 . . . . 73.13 110.045 176.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.675 HD21 ' HB2' ' A' ' 36' ' ' GLN . 93.6 mt -59.28 -32.22 69.82 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.718 1.207 . . . . 73.4 111.225 179.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.55 HD22 ' HA ' ' A' ' 74' ' ' ASN . 57.6 tp -66.3 -52.19 49.86 Favored 'General case' 0 C--N 1.35 0.587 0 C-N-CA 123.054 0.541 . . . . 51.43 111.109 176.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.507 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 32.6 mt-10 -55.61 -48.77 74.35 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 124.265 0.978 . . . . 72.12 109.751 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.553 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 93.4 mt -63.69 -35.91 82.11 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 114.275 -1.33 . . . . 72.35 111.402 -178.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.559 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -63.91 -43.28 96.44 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.113 0.565 . . . . 73.23 110.551 175.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -70.79 -22.38 62.37 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 114.961 -1.018 . . . . 74.13 111.739 176.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 29.3 mmt180 -84.54 -25.87 28.45 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.898 0.479 . . . . 74.03 111.004 174.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.21 18.44 36.51 Favored Glycine 0 C--N 1.351 1.416 0 N-CA-C 113.891 0.316 . . . . 72.25 113.891 -175.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.553 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 20.3 mm-40 -82.04 67.7 8.15 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.434 1.094 . . . . 72.3 110.779 177.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.4 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 40.8 m95 -66.33 -33.42 75.69 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.352 0.661 . . . . 73.45 111.701 -172.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -64.62 -40.53 95.64 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.55 0.74 . . . . 72.25 111.033 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.404 HD12 HD22 ' A' ' 24' ' ' LEU . 62.9 mt -67.57 -33.02 74.18 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 122.607 0.363 . . . . 63.11 110.549 178.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.642 ' HA ' HD22 ' A' ' 21' ' ' LEU . 11.2 mp -61.9 -48.8 78.83 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.926 0.49 . . . . 42.42 111.129 169.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.401 HD13 HH11 ' A' 1004 ' ' ARG . 93.9 mt -67.39 -26.49 66.48 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.481 0.712 . . . . 63.25 112.037 -178.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -76.09 -58.12 3.47 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.682 0.793 . . . . 72.43 110.416 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.675 ' HB2' HD21 ' A' ' 21' ' ' LEU . 11.1 mt-30 -76.06 -10.0 59.06 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.419 1.088 . . . . 75.01 111.907 -178.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.413 ' HG3' ' CE3' ' A' 1008 ' ' TRP . 35.2 tt0 -44.92 -54.56 6.35 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.848 1.259 . . . . 71.34 111.779 171.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.2 p -57.84 -47.31 86.48 Favored 'Isoleucine or valine' 0 C--N 1.355 0.845 0 O-C-N 123.855 0.722 . . . . 70.25 110.761 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.8 m -61.8 -40.13 94.17 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.408 0.683 . . . . 72.35 111.508 -177.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -70.8 -49.2 49.02 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.132 0.973 . . . . 72.53 110.902 -176.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.2 mt -69.9 -33.98 72.91 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.014 0.525 . . . . 75.12 111.334 -176.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -72.3 -40.83 67.24 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 119.102 -0.475 . . . . 73.32 110.913 177.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 77.7 p -66.98 -35.75 80.66 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 122.595 0.358 . . . . 60.55 111.096 177.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.6 mt -57.8 -51.97 63.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 124.829 1.252 . . . . 73.44 110.518 171.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -63.88 -35.71 81.54 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 114.547 -1.206 . . . . 73.03 109.531 -177.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.99 -40.84 68.28 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.967 1.707 . . . . 71.43 112.453 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.3 p -75.46 -33.58 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 O-C-N 122.019 -0.426 . . . . 65.55 109.858 -177.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 35.4 ttm -73.96 -33.21 63.8 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.721 -0.672 . . . . 43.42 109.263 178.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 . . . . . 0 N--CA 1.477 0.919 0 C-N-CA 123.701 0.8 . . . . 71.02 111.194 171.929 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 119.277 -0.392 . . . . 74.14 111.172 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -42.89 -63.68 0.75 Allowed 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.941 1.696 . . . . 72.51 113.322 -173.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.3 m -64.74 -45.64 85.62 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 124.034 0.834 . . . . 74.24 111.742 -172.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.543 HG12 HD11 ' A' ' 8' ' ' ILE . 36.5 mt -60.77 -51.82 68.77 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 O-C-N 123.554 0.533 . . . . 65.52 109.925 -177.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -57.54 -49.69 75.54 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.513 0.725 . . . . 74.43 111.116 -178.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -64.95 -54.3 32.81 Favored 'General case' 0 C--O 1.248 0.981 0 O-C-N 123.879 0.737 . . . . 72.44 111.866 -174.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 73.9 mtm -61.85 -52.08 65.6 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.149 0.58 . . . . 73.04 111.064 -177.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.3 t -59.39 -44.92 93.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 123.333 0.653 . . . . 71.42 111.159 -179.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.47 -35.98 79.16 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 123.344 0.402 . . . . 64.34 111.253 178.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.71 -44.06 98.06 Favored Glycine 0 C--N 1.355 1.627 0 O-C-N 123.363 0.415 . . . . 74.53 112.301 173.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -70.12 -25.97 63.74 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.592 0.757 . . . . 54.12 111.375 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.497 HG12 ' HE1' ' A' 1019 ' ' MET . 30.6 mt -71.86 -45.69 63.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.389 1.076 . . . . 75.04 109.856 176.309 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -59.05 -42.43 90.3 Favored 'General case' 0 C--O 1.244 0.813 0 O-C-N 123.691 0.619 . . . . 73.22 110.078 175.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -59.17 -62.44 1.88 Allowed 'General case' 0 C--N 1.352 0.706 0 O-C-N 124.293 0.996 . . . . 61.11 110.489 176.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.8 t -63.67 -37.24 86.6 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 112.206 0.447 . . . . 51.32 112.206 -169.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.448 HD21 ' SD ' ' A' 1019 ' ' MET . 66.9 mt -75.75 -40.48 55.31 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 112.968 0.729 . . . . 74.02 112.968 -178.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -73.78 -40.89 63.11 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-N 118.511 0.596 . . . . 70.11 110.931 178.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.55 ' HA ' HD22 ' A' ' 22' ' ' LEU . 83.3 m-20 -64.32 -37.77 88.67 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.207 0.603 . . . . 73.11 110.239 177.051 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.498 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 16.3 tt0 -72.3 -35.71 68.75 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 123.423 0.452 . . . . 64.03 111.144 175.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -57.64 -48.24 80.0 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 121.637 0.732 . . . . 74.32 109.459 177.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.8 mt -70.74 -38.81 73.56 Favored 'General case' 0 CA--C 1.554 1.121 0 CA-C-N 114.134 -1.393 . . . . 74.41 111.372 178.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.498 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 5.0 mt -57.56 -61.59 2.4 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 124.083 0.953 . . . . 62.5 110.395 176.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.443 ' HG3' HD22 ' A' 1009 ' ' LEU . 33.9 ttpt -63.95 -35.64 81.33 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.803 1.641 . . . . 53.25 111.582 -174.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.73 -51.54 52.99 Favored Glycine 0 C--N 1.351 1.394 0 O-C-N 123.409 0.443 . . . . 73.03 112.129 173.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.559 HD22 ' HB1' ' A' ' 25' ' ' ALA . 9.7 tt -62.86 -42.38 99.73 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.217 1.007 . . . . 70.23 111.08 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.434 HD13 ' HE1' ' A' 1008 ' ' TRP . 23.2 mt -74.06 -36.8 64.38 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.928 0.891 . . . . 73.21 111.302 -174.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.62 -45.08 95.59 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 123.695 0.622 . . . . 63.54 109.524 172.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -61.09 -39.71 90.99 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.144 -0.935 . . . . 63.11 110.756 176.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -73.42 -35.78 65.87 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.501 0.72 . . . . 65.24 112.208 -177.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.1 mt -72.92 -36.07 67.17 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 110.082 -0.34 . . . . 64.4 110.082 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -66.86 -38.85 87.16 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 123.724 0.64 . . . . 54.04 110.658 173.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -64.09 -47.94 78.09 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.592 0.757 . . . . 65.31 110.277 176.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 68.9 mt -56.63 -40.94 76.27 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.2 1.0 . . . . 74.31 110.817 177.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 70.8 m . . . . . 0 N--CA 1.474 0.757 0 C-N-CA 123.528 0.731 . . . . 64.44 111.23 176.04 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 50.5 ttp . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 112.343 0.497 . . . . 64.21 112.343 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 36.1 p -67.47 -55.14 14.8 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.056 0.542 . . . . 72.45 111.642 -175.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 33.0 m -60.4 -44.85 95.29 Favored 'General case' 0 CA--C 1.549 0.94 0 O-C-N 123.462 0.476 . . . . 73.21 110.932 -175.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1004 ' ' ARG . . . . . 0.401 HH11 HD13 ' A' ' 34' ' ' LEU . 56.8 mtt85 -57.77 -61.65 2.37 Favored 'General case' 0 C--N 1.354 0.785 0 O-C-N 124.102 0.876 . . . . 44.51 110.415 177.192 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1005 ' ' LEU . . . . . 0.541 ' O ' ' HG ' ' A' 1009 ' ' LEU . 63.5 mt -61.4 -36.91 81.62 Favored 'General case' 0 C--N 1.362 1.126 0 O-C-N 124.015 0.822 . . . . 62.21 112.761 -173.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 44.4 p -66.02 -49.87 66.2 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 118.231 0.469 . . . . 73.11 110.88 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 74.7 mtp85 -67.1 -25.45 66.22 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-O 120.8 0.333 . . . . 72.01 111.079 177.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1008 ' ' TRP . . . . . 0.507 ' O ' ' HG ' ' A' 1012 ' ' LEU . 0.1 OUTLIER -71.31 -42.6 68.43 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.619 1.167 . . . . 73.42 109.673 176.639 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1009 ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' 1005 ' ' LEU . 89.4 mt -69.43 -33.06 72.4 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.765 -0.828 . . . . 60.52 108.765 -178.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 71.5 m -63.63 -44.48 93.77 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 114.735 -1.121 . . . . 73.31 111.288 173.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -70.32 -24.74 63.06 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.365 0.666 . . . . 63.42 111.284 176.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1012 ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' 1008 ' ' TRP . 31.6 mt -71.88 -45.65 60.58 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 123.172 0.589 . . . . 72.42 110.154 175.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -64.55 -36.35 83.92 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.147 0.579 . . . . 60.55 111.04 176.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 6.1 t30 -57.66 -54.15 50.18 Favored 'General case' 0 C--O 1.246 0.906 0 C-N-CA 124.55 1.14 . . . . 71.34 110.272 174.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 41.1 t80 -60.56 -61.92 2.24 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 114.559 -1.201 . . . . 64.13 110.55 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -43.22 -51.69 5.99 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 124.851 1.344 . . . . 65.14 112.128 178.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1017 ' ' ALA . . . . . 0.42 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -59.96 -61.81 2.33 Favored 'General case' 0 C--N 1.352 0.675 0 O-C-N 124.052 0.845 . . . . 73.12 111.284 -178.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -64.87 -35.37 80.9 Favored 'General case' 0 C--O 1.247 0.967 0 O-C-N 123.541 0.526 . . . . 73.04 112.299 -172.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1019 ' ' MET . . . . . 0.557 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.2 OUTLIER -81.48 -26.28 35.35 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 116.528 -0.305 . . . . 63.5 111.264 -175.08 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -77.06 -25.39 52.34 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 110.135 -0.32 . . . . 64.54 110.135 171.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1021 ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' 1017 ' ' ALA . 76.2 mt -83.06 -12.02 57.51 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 115.902 -0.59 . . . . 74.44 111.952 175.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1022 ' ' LEU . . . . . 0.557 ' HG ' ' HA ' ' A' 1019 ' ' MET . 93.7 mt . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 119.291 -0.385 . . . . 74.32 110.326 163.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.416 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 15.3 t . . . . . 0 N--CA 1.481 1.1 0 N-CA-C 112.102 0.408 . . . . 62.12 112.102 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.5 m -65.58 -38.62 90.03 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.597 0.759 . . . . 73.53 110.648 178.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 52.2 m -64.45 -44.37 91.32 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 124.575 1.15 . . . . 55.11 111.107 175.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 89.6 t -65.91 -44.73 92.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 122.737 0.415 . . . . 51.35 110.085 -178.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 2' ' ' THR . 30.5 mm-40 -58.28 -49.79 75.91 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 123.303 0.377 . . . . 74.0 110.177 175.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -54.21 -59.16 5.04 Favored 'General case' 0 CA--C 1.557 1.237 0 C-N-CA 124.389 1.076 . . . . 74.22 111.495 -177.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 71.9 mt -63.24 -42.32 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 124.362 1.065 . . . . 51.43 111.44 -176.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.79 -29.39 62.16 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 122.94 0.496 . . . . 75.33 111.907 -175.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.5 ' O ' HG13 ' A' ' 14' ' ' ILE . 85.8 mtt180 -74.46 -41.87 60.05 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 109.607 -0.516 . . . . 72.32 109.607 176.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 67.3 m95 -62.94 -39.28 94.15 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 123.238 0.336 . . . . 75.5 111.112 174.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -61.54 -44.06 97.73 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.812 0.845 . . . . 73.03 109.837 174.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -60.82 -43.54 98.1 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.252 1.021 . . . . 71.3 110.781 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.546 HG22 ' OG1' ' A' ' 71' ' ' THR . 79.5 mt -70.06 -38.55 75.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 123.696 0.798 . . . . 64.24 110.651 -178.355 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.47 -46.81 81.48 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.131 0.572 . . . . 63.32 110.901 177.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.52 -45.29 93.67 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.358 -0.837 . . . . 74.12 110.814 177.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.481 HD13 ' HA ' ' A' ' 40' ' ' TYR . 31.1 mt -60.68 -52.3 65.71 Favored 'General case' 0 C--O 1.213 -0.834 0 CA-C-N 116.05 -0.523 . . . . 74.53 110.41 179.34 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.6 p -63.15 -42.12 99.39 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.347 0.659 . . . . 63.41 112.314 -174.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.436 ' O ' ' HG3' ' A' ' 23' ' ' GLU . 13.8 pt20 -67.28 -40.55 86.14 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 123.413 0.446 . . . . 71.12 110.728 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.7 m -61.74 -50.45 72.36 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 123.468 0.48 . . . . 75.31 110.212 176.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.557 ' HA ' HD12 ' A' ' 24' ' ' LEU . 62.7 mt -58.6 -35.57 72.65 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.834 1.254 . . . . 73.44 111.024 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.8 tp -65.61 -51.45 59.58 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 123.7 0.625 . . . . 74.41 110.357 178.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 19' ' ' GLN . 44.1 mt-10 -59.82 -37.69 79.9 Favored 'General case' 0 N--CA 1.484 1.238 0 O-C-N 124.13 0.894 . . . . 75.41 111.001 -179.091 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.564 HD13 ' HB2' ' A' ' 32' ' ' LEU . 38.5 mt -64.64 -46.18 83.64 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 114.556 -1.202 . . . . 73.22 110.587 176.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.475 ' HB2' HD21 ' A' ' 33' ' ' LEU . . . -71.1 -31.98 68.48 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.387 0.675 . . . . 75.1 111.562 -178.4 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -68.35 -39.66 81.77 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.954 0.902 . . . . 63.32 110.302 175.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -85.78 -19.96 29.95 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 123.158 0.583 . . . . 73.35 110.954 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.06 11.03 47.26 Favored Glycine 0 C--N 1.349 1.28 0 N-CA-C 115.747 1.059 . . . . 75.03 115.747 177.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -77.86 91.28 4.13 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-N 118.729 1.265 . . . . 73.34 110.533 169.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 33.8 m95 -79.78 -13.53 59.37 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.778 0.831 . . . . 74.21 111.002 176.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -57.36 -59.85 4.51 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.067 1.347 . . . . 74.12 111.634 -177.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.564 ' HB2' HD13 ' A' ' 24' ' ' LEU . 69.5 mt -71.42 -16.43 62.39 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 114.974 -1.012 . . . . 75.52 111.381 -178.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.475 HD21 ' HB2' ' A' ' 25' ' ' ALA . 11.0 mp -66.0 -51.16 60.84 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 109.352 -0.61 . . . . 71.33 109.352 167.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.3 mt -69.61 -25.07 63.77 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 123.67 0.606 . . . . 74.33 111.967 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -80.33 -58.37 3.17 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 121.341 0.591 . . . . 71.21 109.863 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -73.44 -9.83 59.09 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.581 1.152 . . . . 62.02 112.0 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.415 ' HA ' ' CZ3' ' A' 1008 ' ' TRP . 42.1 tt0 -43.63 -57.66 3.05 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 124.855 1.262 . . . . 74.43 112.648 174.303 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.0 p -60.73 -37.12 75.14 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 O-C-N 123.659 0.599 . . . . 62.41 110.899 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.8 m -76.61 -30.43 56.94 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.737 0.815 . . . . 72.11 112.381 -175.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.481 ' HA ' HD13 ' A' ' 17' ' ' LEU . 34.7 t80 -77.66 -44.11 29.13 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 109.305 -0.628 . . . . 74.04 109.305 -179.336 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.0 mt -73.04 -26.63 61.37 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 115.779 -0.646 . . . . 62.23 110.834 178.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -69.65 -47.79 62.12 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.774 0.429 . . . . 73.13 110.336 173.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.417 ' HA ' HG22 ' A' ' 46' ' ' THR . 59.5 p -63.87 -40.14 95.85 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 122.889 0.476 . . . . 70.44 110.948 -179.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 25.8 mt -57.46 -52.79 52.52 Favored 'Isoleucine or valine' 0 C--O 1.248 1.016 0 C-N-CA 124.249 1.02 . . . . 71.33 110.436 173.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.31 -44.0 97.52 Favored 'General case' 0 C--N 1.347 0.491 0 CA-C-N 115.335 -0.848 . . . . 73.11 111.159 -175.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.482 HG23 ' HD3' ' A' ' 10' ' ' ARG . 12.1 t -75.97 -29.33 58.21 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 122.867 0.467 . . . . 74.4 111.86 -173.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 p -77.0 -36.67 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 CA-C-N 118.426 0.557 . . . . 75.2 110.035 177.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 52.5 ttm -74.27 -25.82 59.84 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 116.001 -0.545 . . . . 70.12 109.544 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 . . . . . 0 CA--C 1.546 0.792 0 C-N-CA 123.968 0.907 . . . . 65.21 110.623 173.739 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.419 HG22 HD12 ' A' ' 60' ' ' ILE . 10.5 t . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 120.423 0.154 . . . . 52.15 111.213 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -66.74 -43.7 83.48 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.341 1.057 . . . . 74.24 112.579 -165.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.3 m -67.85 -43.77 78.71 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 122.729 0.412 . . . . 53.55 111.779 -177.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.419 HD12 HG22 ' A' ' 57' ' ' THR . 70.4 mt -60.92 -52.92 56.13 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 O-C-N 123.638 0.586 . . . . 74.35 109.442 176.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -62.93 -31.35 72.41 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 123.896 0.748 . . . . 53.25 111.561 -177.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -68.65 -53.57 21.68 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.7 0.4 . . . . 71.04 110.307 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 74.7 mtm -61.34 -49.85 75.33 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 124.076 0.86 . . . . 72.55 110.602 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.3 t -58.69 -50.44 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 124.53 1.132 . . . . 72.13 111.192 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.403 ' O ' ' HG2' ' A' ' 69' ' ' LYS . . . -63.63 -28.59 70.02 Favored 'General case' 0 N--CA 1.482 1.162 0 O-C-N 123.474 0.484 . . . . 75.34 111.036 178.309 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.5 -51.98 54.21 Favored Glycine 0 C--N 1.352 1.453 0 N-CA-C 111.043 -0.823 . . . . 40.34 111.043 172.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -64.03 -32.08 73.5 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.765 0.826 . . . . 75.3 111.329 178.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 53.4 mt -67.29 -49.89 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.361 1.065 . . . . 74.54 110.331 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 10.2 mmpt? -63.57 -41.52 98.38 Favored 'General case' 0 C--O 1.246 0.89 0 O-C-N 123.293 0.37 . . . . 73.51 110.463 -178.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -59.17 -58.34 9.08 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 124.578 1.174 . . . . 71.41 110.011 176.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.546 ' OG1' HG22 ' A' ' 14' ' ' ILE . 6.5 t -65.25 -39.1 92.21 Favored 'General case' 0 C--O 1.214 -0.798 0 N-CA-C 112.217 0.451 . . . . 54.53 112.217 -170.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 68.8 mt -67.55 -35.4 78.99 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.131 0.572 . . . . 72.03 111.819 177.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -67.49 -50.77 57.46 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-O 120.847 0.356 . . . . 75.4 110.478 176.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -65.84 -36.61 83.96 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.778 0.831 . . . . 71.21 111.301 -178.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -73.69 -34.39 64.85 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.734 0.814 . . . . 55.52 110.56 178.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -61.85 -47.01 86.96 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-O 121.33 0.586 . . . . 71.41 109.854 174.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 81.9 mt -64.16 -41.74 97.03 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.799 -1.091 . . . . 64.54 110.566 177.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.4 mt -57.53 -45.87 84.52 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.899 0.88 . . . . 64.2 110.832 172.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.448 ' HA ' HD22 ' A' 1009 ' ' LEU . 82.8 tttt -62.02 -51.37 68.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.802 -1.09 . . . . 74.14 110.297 -172.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -69.74 -39.66 76.71 Favored Glycine 0 C--N 1.353 1.522 0 O-C-N 124.029 0.831 . . . . 74.42 112.864 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.408 HD22 ' HB1' ' A' ' 25' ' ' ALA . 9.3 tt -58.23 -61.57 2.47 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.107 0.963 . . . . 73.34 109.227 179.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.524 ' HB2' HD21 ' A' 1009 ' ' LEU . 27.1 mt -62.72 -33.13 74.5 Favored 'General case' 0 C--O 1.212 -0.876 0 C-N-CA 124.711 1.204 . . . . 71.5 111.777 -178.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -62.07 -50.07 73.44 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.794 0.438 . . . . 72.45 110.893 177.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -75.32 -24.48 57.41 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 123.304 0.377 . . . . 62.41 111.211 -178.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.405 ' HA ' ' NE ' ' A' ' 85' ' ' ARG . 13.6 mmp_? -72.55 -44.96 61.41 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 123.501 0.501 . . . . 65.1 109.903 175.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.437 HD11 ' HB3' ' A' 1005 ' ' LEU . 89.1 mt -68.74 -37.61 79.54 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.295 0.638 . . . . 74.31 110.792 179.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.72 -50.63 71.65 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 124.241 0.963 . . . . 71.13 109.791 176.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -57.61 -56.87 16.36 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.302 -0.863 . . . . 72.13 111.207 175.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 82.4 mt -55.29 -44.21 75.51 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.684 1.194 . . . . 72.35 111.593 -178.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 92.2 p . . . . . 0 N--CA 1.477 0.878 0 C-N-CA 122.325 0.25 . . . . 55.41 110.948 -179.4 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 25.2 ttm . . . . . 0 N--CA 1.482 1.155 0 CA-C-O 120.967 0.413 . . . . 71.42 110.84 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 39.9 p -68.1 -45.69 73.0 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.175 -0.92 . . . . 72.25 111.047 -176.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 90.6 m -62.18 -42.11 98.97 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.103 0.561 . . . . 62.14 111.384 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 75.6 mtt-85 -57.64 -56.41 22.32 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 123.831 0.707 . . . . 74.14 110.077 175.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1005 ' ' LEU . . . . . 0.552 ' HA ' ' HB3' ' A' 1008 ' ' TRP . 63.3 mt -74.44 -24.27 59.05 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 124.077 0.861 . . . . 71.2 112.991 -170.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 38.6 p -77.32 -40.54 43.92 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-N 118.935 0.789 . . . . 64.31 110.058 174.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 23.6 tpt180 -62.83 -34.46 77.37 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-O 121.503 0.668 . . . . 64.3 110.084 172.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1008 ' ' TRP . . . . . 0.552 ' HB3' ' HA ' ' A' 1005 ' ' LEU . 9.4 t-105 -65.27 -52.3 55.21 Favored 'General case' 0 C--O 1.216 -0.66 0 C-N-CA 124.955 1.302 . . . . 75.4 109.671 175.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1009 ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' 1005 ' ' LEU . 92.1 mt -63.87 -33.83 76.58 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.183 0.593 . . . . 73.31 112.32 -176.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 13.8 t -78.57 -29.7 46.37 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 110.583 -0.154 . . . . 70.53 110.583 177.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -70.97 -32.45 69.31 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 122.773 0.429 . . . . 72.45 110.777 172.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1012 ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' 1008 ' ' TRP . 28.1 mt -67.88 -44.12 77.76 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 123.455 0.702 . . . . 64.11 109.142 174.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 21.9 t70 -63.56 -34.92 78.87 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.143 -0.935 . . . . 71.5 110.72 178.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 61.8 t30 -68.82 -44.71 72.93 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.575 0.75 . . . . 74.41 110.286 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 49.2 t80 -62.33 -60.09 4.06 Favored 'General case' 0 C--O 1.214 -0.797 0 O-C-N 123.746 0.654 . . . . 64.25 110.043 176.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -42.2 -57.47 2.51 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.98 1.712 . . . . 71.53 112.265 177.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1017 ' ' ALA . . . . . 0.466 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -62.77 -60.09 3.97 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.275 -0.875 . . . . 41.04 111.554 -177.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 20.4 tptm -67.06 -29.94 69.86 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 112.171 0.434 . . . . 62.1 112.171 -172.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1019 ' ' MET . . . . . 0.535 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.1 OUTLIER -78.1 -28.9 48.75 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 109.903 -0.406 . . . . 73.2 109.903 178.24 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -74.54 -15.38 60.86 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.405 0.282 . . . . 61.04 110.781 168.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1021 ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' 1017 ' ' ALA . 86.2 mt -89.02 -16.47 31.58 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.484 0.714 . . . . 73.03 111.756 171.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1022 ' ' LEU . . . . . 0.535 ' HG ' ' HA ' ' A' 1019 ' ' MET . 85.2 mt . . . . . 0 N--CA 1.503 2.22 0 C-N-CA 123.039 0.535 . . . . 73.2 110.831 169.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.7 p . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 112.365 0.506 . . . . 62.03 112.365 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.7 m -62.33 -41.13 98.32 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 123.407 0.683 . . . . 75.04 111.973 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 95.6 m -59.71 -57.29 13.55 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.051 0.94 . . . . 62.1 110.66 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 75.5 t -59.58 -52.42 61.18 Favored 'Isoleucine or valine' 0 C--N 1.348 0.512 0 CA-C-N 115.287 -0.87 . . . . 44.41 110.851 -176.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -64.35 -39.95 94.91 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 119.207 -0.425 . . . . 75.34 111.073 -174.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -61.54 -51.91 66.62 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.43 0.692 . . . . 74.12 111.116 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 95.1 mt -67.44 -33.28 61.46 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 CA-C-N 115.047 -0.979 . . . . 74.52 111.076 -177.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.99 -24.83 37.72 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.508 0.723 . . . . 75.32 111.747 -179.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.478 ' O ' HG13 ' A' ' 14' ' ' ILE . 80.4 mtt180 -72.73 -44.86 61.13 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 108.797 -0.816 . . . . 55.12 108.797 172.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 37.3 m95 -60.46 -40.7 92.15 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 123.575 0.547 . . . . 64.01 111.194 173.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -65.16 -40.2 94.0 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.576 0.75 . . . . 63.13 110.311 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -62.01 -45.71 92.41 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 123.96 0.788 . . . . 75.34 110.272 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 10' ' ' ARG . 67.5 mt -63.75 -45.6 96.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 124.018 0.824 . . . . 72.04 110.874 178.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.57 -50.45 72.58 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.571 0.748 . . . . 73.31 111.59 -176.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.45 -41.94 96.24 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 123.992 0.808 . . . . 73.52 110.64 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.5 mt -62.74 -39.44 94.09 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.005 0.522 . . . . 73.14 110.874 175.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.9 t -69.58 -43.84 72.02 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.364 0.665 . . . . 70.21 110.786 -173.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -72.32 -34.48 68.11 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 123.405 0.44 . . . . 75.24 111.397 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.42 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 72.4 m -63.6 -52.56 60.37 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 122.576 0.35 . . . . 74.43 110.363 174.324 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.62 HD13 ' HH2' ' A' 1008 ' ' TRP . 80.4 mt -63.15 -28.76 70.28 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.155 0.982 . . . . 70.41 110.876 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.539 HD22 ' HA ' ' A' ' 74' ' ' ASN . 32.2 tp -66.47 -50.12 64.36 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 123.386 0.429 . . . . 74.22 110.345 175.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -52.49 -45.89 66.38 Favored 'General case' 0 N--CA 1.485 1.325 0 O-C-N 124.078 0.861 . . . . 71.41 110.047 176.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.572 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 82.1 mt -69.54 -35.0 75.02 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 113.847 -1.524 . . . . 74.22 112.087 -177.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.519 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -68.32 -38.73 81.85 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 122.88 0.472 . . . . 72.23 110.467 178.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -65.66 -38.82 90.39 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 115.28 -0.873 . . . . 74.31 110.202 175.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -76.04 -20.75 57.52 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.514 0.726 . . . . 74.35 112.282 177.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.49 23.59 53.39 Favored Glycine 0 C--N 1.339 0.736 0 CA-C-N 116.808 -0.178 . . . . 63.04 113.34 -178.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.572 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 23.1 mm-40 -76.47 75.54 3.21 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.501 1.12 . . . . 64.01 110.448 175.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 20.1 m95 -72.05 -35.19 69.25 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.06 0.544 . . . . 73.21 111.612 -173.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -63.81 -36.74 84.9 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.562 0.745 . . . . 50.35 110.666 -179.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.0 mt -72.32 -37.47 68.92 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 123.233 0.613 . . . . 72.4 110.691 178.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.453 ' HA ' HD22 ' A' ' 21' ' ' LEU . 9.4 mp -61.04 -43.36 99.0 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 122.753 0.421 . . . . 74.22 110.815 172.341 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.6 mt -73.95 -27.55 61.06 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.051 0.94 . . . . 64.11 111.883 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -74.92 -49.32 20.62 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.697 0.799 . . . . 65.11 110.294 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.489 ' HB2' HD21 ' A' ' 21' ' ' LEU . 10.6 mt-30 -85.75 -9.96 56.29 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.044 0.938 . . . . 74.42 111.61 -176.345 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.446 ' HG3' ' HE3' ' A' 1008 ' ' TRP . 40.9 tt0 -44.44 -52.71 7.58 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.347 1.459 . . . . 71.35 112.446 173.048 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.9 p -53.4 -46.95 59.0 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 O-C-N 124.177 0.923 . . . . 63.44 111.32 178.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.3 m -68.77 -38.99 80.44 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.137 0.975 . . . . 73.34 111.985 -175.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -73.04 -49.73 27.07 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.485 0.714 . . . . 62.23 110.61 -174.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.0 mt -64.99 -37.93 89.29 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 123.906 0.754 . . . . 62.3 110.729 179.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -61.82 -45.7 92.72 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.282 0.633 . . . . 74.11 111.024 176.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.459 ' HA ' HG22 ' A' ' 46' ' ' THR . 8.9 t -66.03 -37.21 85.29 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 123.06 0.544 . . . . 74.0 110.735 -178.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 17.6 mt -59.64 -56.95 13.91 Favored 'Isoleucine or valine' 0 C--O 1.251 1.15 0 C-N-CA 124.659 1.183 . . . . 54.3 111.119 175.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -68.74 -29.94 68.45 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.739 -0.664 . . . . 72.5 111.002 -174.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.459 HG22 ' HA ' ' A' ' 43' ' ' SER . 6.7 t -79.28 -30.12 42.84 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 111.931 0.345 . . . . 71.55 111.931 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 p -75.83 -35.6 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-N 118.979 0.809 . . . . 62.54 110.014 176.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 41.9 ttm -73.58 -26.11 60.67 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 109.547 -0.538 . . . . 54.32 109.547 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 . . . . . 0 N--CA 1.477 0.882 0 C-N-CA 124.229 1.012 . . . . 74.12 110.632 167.674 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.6 t . . . . . 0 CA--C 1.553 1.085 0 N-CA-C 111.907 0.336 . . . . 52.04 111.907 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -53.75 -55.5 25.74 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.17 1.388 . . . . 73.22 112.863 -170.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.9 m -65.45 -44.15 88.15 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.236 0.614 . . . . 51.33 111.835 -173.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 65.7 mt -60.82 -51.16 76.39 Favored 'Isoleucine or valine' 0 C--N 1.358 0.938 0 N-CA-C 109.304 -0.628 . . . . 61.02 109.304 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 23.9 tm0? -57.54 -45.09 85.51 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 123.945 0.778 . . . . 54.43 110.744 -178.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -62.9 -54.56 36.78 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.86 0.864 . . . . 64.41 111.264 -176.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 78.3 mtm -62.03 -49.53 75.64 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 123.784 0.677 . . . . 73.11 110.787 -178.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.2 t -58.36 -44.69 88.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 123.858 0.863 . . . . 75.21 111.079 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.94 -30.9 71.55 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.451 0.701 . . . . 74.0 111.281 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.69 -47.27 85.33 Favored Glycine 0 C--N 1.35 1.317 0 N-CA-C 111.42 -0.672 . . . . 64.34 111.42 173.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -67.96 -33.48 74.73 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.61 0.764 . . . . 63.42 111.356 179.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.472 HG23 ' HE1' ' A' 1019 ' ' MET . 18.0 mt -65.57 -48.0 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 124.695 1.198 . . . . 63.4 109.654 177.206 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -63.06 -41.99 99.58 Favored 'General case' 0 C--O 1.246 0.911 0 C-N-CA 123.541 0.736 . . . . 74.03 110.19 -179.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -59.81 -58.71 7.41 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 115.213 -0.903 . . . . 72.31 110.195 176.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.1 t -65.95 -33.78 76.6 Favored 'General case' 0 C--O 1.206 -1.2 0 CA-C-O 119.002 -0.523 . . . . 75.45 111.894 -173.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.558 HD21 ' SD ' ' A' 1019 ' ' MET . 56.4 mt -67.84 -40.78 83.66 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 118.466 0.575 . . . . 74.1 111.386 177.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.422 ' O ' ' HB3' ' A' ' 76' ' ' GLN . 27.9 t70 -73.78 -47.24 40.33 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-O 121.578 0.704 . . . . 63.45 111.442 -179.257 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.539 ' HA ' HD22 ' A' ' 22' ' ' LEU . 15.0 m120 -69.41 -38.27 77.86 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.259 -0.882 . . . . 61.21 110.644 -176.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.674 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 34.9 tt0 -75.18 -32.24 61.2 Favored 'General case' 0 C--O 1.209 -1.072 0 O-C-N 123.439 0.462 . . . . 71.13 110.676 175.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.422 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 19.1 tt0 -52.22 -49.25 64.33 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 121.516 0.674 . . . . 70.55 109.713 170.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.4 mt -71.93 -31.65 66.55 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 114.745 -1.116 . . . . 74.33 111.711 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.674 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 11.0 mt -62.42 -65.53 0.68 Allowed 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 123.042 0.537 . . . . 71.24 111.093 175.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 19.7 pttp -70.2 -23.39 62.95 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.194 0.598 . . . . 75.12 112.038 -175.56 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.92 -50.66 45.46 Favored Glycine 0 C--N 1.348 1.198 0 N-CA-C 112.344 -0.302 . . . . 72.31 112.344 170.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.519 HD22 ' HB1' ' A' ' 25' ' ' ALA . 8.6 tt -65.82 -40.32 91.71 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.879 0.872 . . . . 61.45 110.993 179.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.456 HD13 ' HE1' ' A' 1008 ' ' TRP . 37.7 mt -79.72 -30.45 40.94 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.768 0.827 . . . . 74.41 111.961 -173.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -69.62 -43.63 72.31 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 108.726 -0.842 . . . . 71.22 108.726 170.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.405 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 59.8 tp60 -59.24 -40.17 85.07 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 123.843 0.715 . . . . 65.44 109.89 174.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.578 ' HA ' ' HE ' ' A' ' 85' ' ' ARG . 0.1 OUTLIER -64.74 -56.78 11.5 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 123.623 0.769 . . . . 75.11 110.335 -177.095 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.528 HD11 ' HB3' ' A' 1005 ' ' LEU . 86.3 mt -69.61 -21.81 63.55 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 123.621 0.576 . . . . 65.22 112.114 -176.269 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -76.6 -43.39 38.76 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.111 0.564 . . . . 73.53 110.104 175.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 84' ' ' GLN . 14.1 mm-40 -61.19 -48.56 80.98 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.153 0.581 . . . . 74.1 109.686 173.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 89.5 mt -59.08 -43.89 91.84 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 124.407 1.083 . . . . 72.14 110.979 178.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.1 t . . . . . 0 N--CA 1.482 1.167 0 C-N-CA 123.026 0.53 . . . . 63.43 110.752 177.617 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 47.1 ttp . . . . . 0 CA--C 1.538 0.488 0 N-CA-C 110.048 -0.353 . . . . 64.4 110.048 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 25.2 p -65.73 -48.46 71.86 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 123.457 0.473 . . . . 52.44 111.076 -178.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 39.1 p -63.15 -45.19 93.04 Favored 'General case' 0 C--O 1.248 0.982 0 O-C-N 123.426 0.454 . . . . 73.54 112.053 -176.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -66.21 -44.07 84.94 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-O 118.949 -0.548 . . . . 74.03 110.809 178.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1005 ' ' LEU . . . . . 0.528 ' HB3' HD11 ' A' ' 86' ' ' LEU . 35.7 mt -70.51 -29.24 65.7 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 118.902 -0.57 . . . . 72.13 112.504 -178.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 41.2 p -73.28 -44.44 59.19 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 118.991 0.814 . . . . 61.44 110.446 176.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -57.48 -40.57 78.86 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.43 0.692 . . . . 63.3 110.364 171.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1008 ' ' TRP . . . . . 0.62 ' HH2' HD13 ' A' ' 21' ' ' LEU . 3.4 t-105 -61.49 -49.07 78.22 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 125.069 1.348 . . . . 74.3 110.142 177.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1009 ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' 1005 ' ' LEU . 63.6 mt -64.9 -40.76 95.59 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.045 0.538 . . . . 74.02 111.734 -176.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 14.7 t -72.04 -28.8 63.59 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 119.524 -0.274 . . . . 60.3 110.551 178.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -75.21 -30.01 60.47 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.195 0.598 . . . . 70.44 111.351 175.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1012 ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' 1008 ' ' TRP . 16.6 mt -72.42 -49.8 30.97 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 121.272 0.558 . . . . 72.42 110.066 177.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 19.6 t70 -62.16 -36.96 83.42 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 115.198 -0.91 . . . . 75.43 110.113 177.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 8.2 t30 -60.9 -46.17 91.71 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.065 0.946 . . . . 72.13 110.768 172.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 34.6 t80 -59.28 -61.22 2.79 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-O 119.151 -0.452 . . . . 71.14 109.896 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.05 -48.65 52.8 Favored 'General case' 0 C--O 1.248 1.02 0 C-N-CA 124.797 1.239 . . . . 73.2 112.039 -177.166 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1017 ' ' ALA . . . . . 0.4 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -61.4 -60.29 3.96 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 115.278 -0.874 . . . . 53.32 111.811 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -67.43 -29.42 68.89 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.576 0.75 . . . . 60.44 111.369 -173.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1019 ' ' MET . . . . . 0.608 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.4 OUTLIER -80.85 -26.67 36.82 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 120.484 0.183 . . . . 74.33 110.657 -178.902 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -68.68 -32.96 73.16 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 110.043 -0.355 . . . . 60.41 110.043 166.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1021 ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' 1017 ' ' ALA . 91.0 mt -80.73 -12.35 59.48 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.553 0.741 . . . . 74.12 112.826 178.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1022 ' ' LEU . . . . . 0.608 ' HG ' ' HA ' ' A' 1019 ' ' MET . 57.6 mt . . . . . 0 N--CA 1.494 1.764 0 C-N-CA 122.833 0.453 . . . . 63.34 111.553 169.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.5 m . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 111.536 0.199 . . . . 74.14 111.536 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.8 m -63.02 -44.09 96.94 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.835 0.854 . . . . 53.14 110.938 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 87.2 m -55.32 -57.95 9.72 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.584 1.154 . . . . 64.0 110.839 176.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.9 t -60.64 -44.42 96.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 115.116 -0.947 . . . . 74.44 110.237 -175.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -56.32 -53.11 61.19 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.217 1.007 . . . . 73.42 110.725 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.497 ' HA ' HH21 ' A' ' 10' ' ' ARG . 10.7 t80 -64.88 -52.9 54.03 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 114.663 -1.153 . . . . 72.43 110.894 -171.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.456 HD11 HG12 ' A' ' 60' ' ' ILE . 82.4 mt -62.18 -45.75 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 O-C-N 124.139 0.899 . . . . 74.04 111.237 -177.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -65.58 -42.02 92.2 Favored 'General case' 0 N--CA 1.484 1.24 0 O-C-N 123.649 0.593 . . . . 64.14 111.251 -176.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.521 ' NH1' ' HA ' ' A' ' 47' ' ' VAL . 87.7 mtm180 -62.16 -54.35 42.37 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 123.41 0.444 . . . . 64.34 110.442 177.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 77.4 m95 -61.12 -33.03 72.74 Favored 'General case' 0 N--CA 1.483 1.177 0 O-C-N 123.705 0.628 . . . . 75.24 112.134 -178.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -65.08 -47.06 78.62 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.171 0.588 . . . . 74.31 109.71 177.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -60.39 -46.9 88.33 Favored 'General case' 0 C--N 1.355 0.821 0 O-C-N 123.886 0.741 . . . . 72.15 110.725 177.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 10' ' ' ARG . 79.9 mt -63.59 -38.91 83.5 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 123.761 0.824 . . . . 62.5 110.983 -176.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.17 -45.69 76.22 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.337 0.655 . . . . 63.41 111.14 178.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.1 mt -71.09 -32.84 69.57 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.0 0.52 . . . . 63.53 111.132 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 40' ' ' TYR . 40.7 mt -66.64 -54.26 25.22 Favored 'General case' 0 C--O 1.213 -0.841 0 C-N-CA 123.282 0.633 . . . . 75.43 109.347 177.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.4 p -62.68 -35.51 79.92 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.489 0.716 . . . . 55.32 110.969 -177.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.402 ' HA ' ' OD1' ' A' ' 74' ' ' ASN . 31.6 tt0 -56.59 -63.09 1.31 Allowed 'General case' 0 C--O 1.249 1.032 0 C-N-CA 124.203 1.001 . . . . 64.12 110.982 173.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.481 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 57.3 m -52.83 -54.63 31.61 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 124.634 1.209 . . . . 73.22 110.456 179.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.599 HD21 ' HB2' ' A' ' 36' ' ' GLN . 82.1 mt -58.47 -36.19 73.34 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.831 1.252 . . . . 60.23 111.864 -177.287 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.579 HD22 ' HA ' ' A' ' 74' ' ' ASN . 43.6 tp -65.24 -49.46 69.56 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 109.98 -0.378 . . . . 51.32 109.98 177.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -59.86 -34.65 73.4 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 123.927 0.767 . . . . 75.33 110.447 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.526 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 92.4 mt -74.59 -32.03 62.23 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.971 0.908 . . . . 73.4 111.096 178.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.491 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -69.81 -38.13 76.49 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.098 0.559 . . . . 73.53 110.082 177.238 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -67.6 -36.97 81.86 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.236 -0.893 . . . . 71.05 110.411 174.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.1 mtp85 -74.08 -25.24 59.7 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.422 0.689 . . . . 72.44 112.066 177.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.13 24.13 52.95 Favored Glycine 0 C--N 1.339 0.731 0 O-C-N 123.215 0.322 . . . . 72.32 113.218 -175.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.526 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 52.5 mm-40 -77.56 68.08 3.59 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.683 0.793 . . . . 75.31 110.235 172.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.404 ' HE3' HD12 ' A' ' 33' ' ' LEU . 32.5 m95 -66.09 -30.37 70.86 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.154 0.582 . . . . 61.44 110.827 -173.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -69.25 -41.97 76.21 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.763 0.825 . . . . 70.32 110.678 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 71.8 mt -67.94 -32.35 72.72 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 122.896 0.478 . . . . 73.24 110.866 176.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.404 HD12 ' HE3' ' A' ' 30' ' ' TRP . 65.9 mt -62.81 -47.43 83.47 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.528 0.518 . . . . 73.04 110.21 173.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.9 mt -64.64 -38.17 90.1 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 124.149 0.906 . . . . 54.31 111.762 179.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -62.32 -56.18 20.9 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 121.808 0.813 . . . . 71.51 110.02 -179.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.599 ' HB2' HD21 ' A' ' 21' ' ' LEU . 14.1 mt-30 -83.46 -10.23 58.5 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 114.238 -1.346 . . . . 72.14 112.047 -174.135 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.27 -53.03 11.48 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.957 1.303 . . . . 62.22 111.022 174.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.5 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 72.0 t -52.34 -61.55 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.883 0 O-C-N 124.533 1.146 . . . . 64.52 109.627 178.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.8 m -50.45 -43.49 55.23 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 124.728 1.267 . . . . 75.45 112.01 -176.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.412 ' HA ' HD13 ' A' ' 17' ' ' LEU . 35.5 t80 -68.82 -47.32 66.35 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 123.947 0.779 . . . . 71.42 110.854 -175.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.574 HD11 ' HA ' ' A' 1008 ' ' TRP . 76.9 mt -71.93 -29.12 63.96 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 123.402 0.439 . . . . 43.12 111.983 -176.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 18.0 mm100 -76.63 -34.88 58.31 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 122.944 0.498 . . . . 63.44 110.069 177.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.6 m -64.81 -43.66 92.43 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.0 0.52 . . . . 61.21 110.354 173.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 25.6 mt -55.69 -49.8 71.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.695 1.198 . . . . 51.31 110.596 174.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -59.86 -55.76 30.17 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.107 -0.951 . . . . 64.02 110.377 -178.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.2 t -64.13 -31.08 72.15 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 123.857 0.723 . . . . 73.31 111.648 -173.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.521 ' HA ' ' NH1' ' A' ' 10' ' ' ARG . 1.9 p -75.72 -38.85 38.3 Favored 'Isoleucine or valine' 0 C--N 1.363 1.174 0 N-CA-C 110.473 -0.195 . . . . 72.11 110.473 179.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 42.1 ttm -79.29 -12.45 59.94 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.148 0.579 . . . . 54.45 110.827 -177.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 . . . . . 0 CA--C 1.553 1.07 0 N-CA-C 112.048 0.388 . . . . 72.4 112.048 171.074 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.0 t . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 111.855 0.317 . . . . 64.12 111.855 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -31.49 66.85 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.771 0.829 . . . . 74.13 112.375 -170.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.9 m -67.17 -57.78 6.09 Favored 'General case' 0 C--O 1.256 1.423 0 C-N-CA 123.45 0.7 . . . . 64.51 110.442 -177.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.456 HG12 HD11 ' A' ' 8' ' ' ILE . 65.7 mt -62.43 -47.45 92.96 Favored 'Isoleucine or valine' 0 C--N 1.36 1.03 0 CA-C-N 115.046 -0.979 . . . . 74.12 109.721 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -59.08 -43.25 91.77 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 123.916 0.76 . . . . 74.31 111.281 -178.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -65.24 -52.09 56.77 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 123.396 0.435 . . . . 72.53 110.618 -177.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 58.8 mtm -61.74 -48.76 79.27 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.697 0.623 . . . . 61.1 110.804 -178.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.409 HG11 ' CE1' ' A' ' 7' ' ' PHE . 18.6 t -64.09 -41.03 91.18 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.823 0 C-N-CA 124.044 0.938 . . . . 73.11 111.441 -178.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.443 ' HA ' ' HB ' ' A' ' 68' ' ' ILE . . . -69.31 -29.33 67.15 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 122.843 0.457 . . . . 43.32 110.658 179.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.72 -41.15 93.93 Favored Glycine 0 C--N 1.347 1.17 0 N-CA-C 111.272 -0.731 . . . . 71.01 111.272 170.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -67.93 -33.8 75.37 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.793 0.837 . . . . 71.33 110.796 175.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.481 HG23 ' HE1' ' A' 1019 ' ' MET . 20.0 mt -68.7 -47.82 74.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 125.127 1.371 . . . . 62.21 109.714 -179.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -69.81 -37.73 76.37 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 123.683 0.614 . . . . 62.22 110.049 -178.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -60.43 -53.41 57.92 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 123.98 0.8 . . . . 61.24 110.061 175.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.434 ' OG1' HG22 ' A' ' 14' ' ' ILE . 5.9 t -71.66 -35.1 70.24 Favored 'General case' 0 C--O 1.203 -1.367 0 CA-C-O 118.926 -0.559 . . . . 63.0 111.412 -173.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 72' ' ' LEU . 19.4 mt -67.86 -40.6 83.6 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 118.272 0.487 . . . . 73.13 110.924 178.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -64.92 -55.33 19.92 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.797 0.685 . . . . 71.24 110.081 177.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.579 ' HA ' HD22 ' A' ' 22' ' ' LEU . 0.8 OUTLIER -69.96 -31.4 69.11 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 114.864 -1.062 . . . . 64.1 111.48 -171.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -79.6 -37.88 35.24 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 123.47 0.481 . . . . 74.12 111.286 178.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -63.51 -35.85 81.84 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 109.417 -0.586 . . . . 73.12 109.417 175.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.6 mt -68.34 -40.94 81.39 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.418 0.687 . . . . 55.1 110.807 173.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.8 mt -58.06 -43.89 87.16 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.208 0.603 . . . . 61.33 110.85 171.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 83' ' ' GLN . 8.3 tmtt? -67.53 -46.3 73.23 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.252 1.021 . . . . 61.21 109.048 -172.393 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -72.88 -41.17 50.11 Favored Glycine 0 C--N 1.343 0.927 0 O-C-N 124.066 0.854 . . . . 55.11 113.112 -177.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.491 HD22 ' HB1' ' A' ' 25' ' ' ALA . 10.0 tt -64.02 -48.68 75.38 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.604 0.761 . . . . 71.22 109.711 179.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.467 ' HB2' HD21 ' A' 1009 ' ' LEU . 39.1 mt -77.07 -23.2 51.98 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.644 0.778 . . . . 65.53 111.813 -176.018 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 0.5 OUTLIER -65.91 -53.61 37.23 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 107.503 -1.295 . . . . 71.43 107.503 170.162 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.27 -37.02 76.6 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 124.648 1.218 . . . . 52.52 109.933 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -69.43 -55.51 10.09 Favored 'General case' 0 C--N 1.346 0.421 0 C-N-CA 123.961 0.904 . . . . 74.51 110.806 -176.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.535 HD11 ' HB3' ' A' 1005 ' ' LEU . 96.0 mt -66.17 -36.86 84.22 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.904 0.482 . . . . 71.5 111.043 -177.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -64.79 -45.03 88.01 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 124.338 1.024 . . . . 63.43 110.423 177.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -63.06 -53.75 48.8 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 123.744 0.652 . . . . 71.12 110.036 178.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 92.6 mt -50.15 -52.92 31.29 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.476 1.11 . . . . 72.1 110.66 178.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 78.2 p . . . . . 0 N--CA 1.474 0.729 0 C-N-CA 123.283 0.633 . . . . 73.42 111.336 -178.714 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 54.2 ttp . . . . . 0 N--CA 1.472 0.642 0 CA-C-O 120.438 0.161 . . . . 75.24 110.955 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 29.0 p -67.61 -48.31 67.15 Favored 'General case' 0 C--N 1.345 0.398 0 O-C-N 123.772 0.67 . . . . 74.32 111.657 -173.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 14.5 t -64.02 -40.23 95.87 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 123.156 0.285 . . . . 75.25 111.426 -177.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -69.94 -39.26 76.17 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 123.255 0.347 . . . . 64.41 110.728 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1005 ' ' LEU . . . . . 0.589 ' HA ' ' HB3' ' A' 1008 ' ' TRP . 39.4 mt -77.16 -22.78 51.97 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 118.684 -0.674 . . . . 71.45 112.664 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 27.8 p -78.92 -42.51 26.92 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-N 119.273 0.942 . . . . 74.04 109.834 175.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -57.36 -40.05 77.28 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 115.816 -0.629 . . . . 61.34 110.276 169.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1008 ' ' TRP . . . . . 0.589 ' HB3' ' HA ' ' A' 1005 ' ' LEU . 1.2 t-105 -61.16 -53.52 55.95 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 114.712 -1.131 . . . . 73.3 110.799 175.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1009 ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' 1005 ' ' LEU . 88.4 mt -62.29 -39.14 92.01 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.259 0.624 . . . . 75.53 111.469 -175.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 13.0 t -74.14 -30.05 62.1 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 122.888 0.117 . . . . 64.4 110.943 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -74.45 -29.41 61.46 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 122.83 0.452 . . . . 72.42 110.808 175.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1012 ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' 1008 ' ' TRP . 21.4 mt -69.1 -48.34 62.85 Favored 'General case' 0 C--N 1.359 0.986 0 N-CA-C 109.073 -0.714 . . . . 75.54 109.073 174.168 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 33.3 t70 -58.4 -40.7 83.14 Favored 'General case' 0 C--O 1.246 0.892 0 CA-C-N 114.561 -1.2 . . . . 74.33 110.148 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 8.0 t30 -62.7 -48.63 78.42 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.578 1.151 . . . . 74.43 110.823 176.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 67.2 t80 -60.28 -59.48 5.33 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 123.287 0.635 . . . . 64.31 110.235 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -46.63 -56.8 5.53 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.459 1.503 . . . . 74.24 110.737 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -61.29 -53.82 51.86 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 124.027 0.829 . . . . 53.2 111.85 -175.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -71.84 -25.06 61.82 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.274 0.629 . . . . 61.3 111.911 -173.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1019 ' ' MET . . . . . 0.597 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.6 OUTLIER -88.43 -19.3 26.72 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 110.501 -0.185 . . . . 74.45 110.501 179.133 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -75.49 -25.02 56.96 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 109.339 -0.615 . . . . 71.04 109.339 165.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 92.8 mt -75.08 -31.04 61.11 Favored 'General case' 0 C--N 1.358 0.971 0 CA-C-O 118.377 -0.82 . . . . 72.2 111.552 171.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1022 ' ' LEU . . . . . 0.597 ' HG ' ' HA ' ' A' 1019 ' ' MET . 61.0 mt . . . . . 0 N--CA 1.505 2.295 0 O-C-N 123.743 0.652 . . . . 72.01 111.958 174.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.486 1.345 0 N-CA-C 111.829 0.307 . . . . 63.22 111.829 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.8 p -67.08 -37.94 84.87 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.1 0.56 . . . . 74.13 111.13 176.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.1 m -59.59 -47.5 85.32 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.52 1.128 . . . . 64.34 110.784 174.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.8 t -64.32 -47.46 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 115.804 -0.635 . . . . 65.24 110.298 -178.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -52.1 -59.92 3.81 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 123.862 0.726 . . . . 75.25 110.175 176.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -58.62 -59.2 5.77 Favored 'General case' 0 CA--C 1.556 1.208 0 CA-C-N 114.994 -1.003 . . . . 71.4 111.82 -172.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.593 HD11 HG12 ' A' ' 60' ' ' ILE . 71.0 mt -63.42 -47.73 90.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 123.588 0.755 . . . . 74.34 111.607 -175.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.473 HD22 ' N ' ' A' ' 9' ' ' ASN . 0.7 OUTLIER -72.15 -30.49 65.06 Favored 'General case' 0 N--CA 1.485 1.308 0 O-C-N 123.31 0.381 . . . . 63.22 111.554 -172.475 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.507 ' O ' HG13 ' A' ' 14' ' ' ILE . 95.2 mtt180 -71.57 -46.62 58.89 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 119.185 -0.436 . . . . 75.54 110.235 174.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 59.5 m95 -59.75 -37.51 79.19 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-O 120.769 0.319 . . . . 63.13 111.356 175.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -66.21 -41.62 89.88 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.954 0.902 . . . . 70.5 109.997 177.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -62.04 -42.3 99.03 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.878 0.871 . . . . 75.13 110.761 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.554 HG22 ' OG1' ' A' ' 71' ' ' THR . 59.8 mt -68.74 -38.71 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.416 0.686 . . . . 63.32 110.209 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.52 -44.83 89.63 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 122.864 0.466 . . . . 74.3 111.18 178.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.5 mt -66.3 -44.19 84.15 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.555 0.742 . . . . 72.41 110.822 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 45.9 mt -64.11 -44.62 91.73 Favored 'General case' 0 C--O 1.212 -0.891 0 CA-C-N 115.842 -0.617 . . . . 73.25 110.162 178.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.7 t -65.0 -40.72 95.35 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.166 0.586 . . . . 65.34 111.442 -175.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.502 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 13.5 pt20 -70.18 -39.99 74.94 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 123.408 0.443 . . . . 74.31 110.514 178.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.451 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 65.5 m -61.73 -52.5 64.02 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 123.326 0.391 . . . . 73.15 110.268 177.167 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.581 HD13 ' HH2' ' A' 1008 ' ' TRP . 65.0 mt -62.31 -34.24 76.22 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.766 1.226 . . . . 62.52 110.84 -179.098 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.8 tp -62.71 -50.97 69.02 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 123.462 0.477 . . . . 64.3 110.219 175.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.502 ' HG2' ' O ' ' A' ' 19' ' ' GLN . 19.5 mm-40 -58.5 -35.19 71.85 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 123.777 0.673 . . . . 74.51 111.083 178.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.527 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 88.7 mt -75.77 -30.9 59.3 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.717 0.807 . . . . 72.0 111.526 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.524 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -71.95 -35.32 69.54 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-O 121.109 0.48 . . . . 73.22 110.187 176.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -70.67 -38.53 73.78 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.26 -0.882 . . . . 72.45 109.86 175.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -73.31 -27.41 61.52 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.763 0.825 . . . . 54.44 111.281 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.53 17.1 53.75 Favored Glycine 0 C--N 1.341 0.828 0 CA-C-N 116.285 -0.416 . . . . 44.02 113.435 -175.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.527 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 22.5 mm-40 -76.94 71.41 3.45 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.535 0.734 . . . . 73.41 110.452 171.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.403 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 27.6 m95 -67.29 -31.98 72.66 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 115.666 -0.697 . . . . 73.12 110.091 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -66.02 -38.73 89.18 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 114.894 -1.048 . . . . 62.13 111.179 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.1 mt -74.7 -27.02 60.21 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 122.927 0.491 . . . . 73.32 111.235 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 74.3 mt -63.72 -45.38 90.24 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 109.435 -0.58 . . . . 51.24 109.435 170.195 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.473 HD21 ' HG ' ' A' 1005 ' ' LEU . 88.4 mt -68.28 -33.46 74.4 Favored 'General case' 0 N--CA 1.481 1.097 0 O-C-N 123.931 0.769 . . . . 33.24 112.216 178.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -68.4 -51.94 38.48 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 121.706 0.765 . . . . 73.33 109.994 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.436 ' HB2' HD21 ' A' ' 21' ' ' LEU . 14.4 mt-30 -85.43 -8.52 58.35 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.817 1.247 . . . . 74.22 112.448 -176.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.444 ' HG3' ' CE3' ' A' 1008 ' ' TRP . 35.7 tt0 -43.7 -54.79 4.81 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.7 1.2 . . . . 75.05 112.106 175.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 31.4 t -61.28 -36.69 74.54 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 O-C-N 124.126 0.891 . . . . 71.34 111.132 -177.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.4 t -68.48 -41.52 80.01 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.067 0.947 . . . . 44.12 111.878 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -72.45 -43.93 63.09 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.07 0.548 . . . . 74.34 110.496 -175.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.4 mt -68.43 -32.42 72.44 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 115.399 -0.819 . . . . 63.53 110.192 178.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -60.37 -54.6 43.72 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.451 0.7 . . . . 62.43 110.747 173.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.7 p -61.9 -37.14 83.48 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 123.948 0.78 . . . . 61.15 111.563 -177.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.7 mt -61.65 -50.91 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.767 0.827 . . . . 60.42 111.219 174.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -60.19 -46.49 89.54 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 123.776 0.672 . . . . 64.2 110.518 -177.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.402 HG23 ' HD3' ' A' ' 10' ' ' ARG . 14.9 t -74.79 -29.48 61.12 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 115.603 -0.726 . . . . 62.33 112.226 -173.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.8 p -77.27 -37.25 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 CA-C-N 118.665 0.666 . . . . 73.1 110.688 177.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 46.8 ttm -74.53 -26.17 59.81 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 109.421 -0.585 . . . . 75.45 109.421 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 . . . . . 0 CA--C 1.552 1.044 0 CA-C-N 115.268 -0.878 . . . . 63.45 110.597 168.208 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 112.123 0.416 . . . . 63.44 112.123 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -53.41 -45.44 69.35 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 124.844 1.258 . . . . 74.22 113.067 -171.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.5 m -58.14 -57.34 13.29 Favored 'General case' 0 C--O 1.25 1.091 0 C-N-CA 123.188 0.595 . . . . 71.34 111.584 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.593 HG12 HD11 ' A' ' 8' ' ' ILE . 61.5 mt -63.37 -47.36 92.28 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 CA-C-N 115.023 -0.989 . . . . 74.43 110.617 -178.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -56.49 -46.16 80.63 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.133 0.973 . . . . 71.52 111.574 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -66.54 -51.97 50.74 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.309 0.644 . . . . 71.22 111.026 -178.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 74.3 mtm -59.96 -47.35 86.17 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 123.599 0.562 . . . . 73.34 110.706 -178.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 37.0 t -66.95 -35.4 74.61 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.82 0 C-N-CA 124.088 0.955 . . . . 64.43 111.219 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.67 -34.21 77.77 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.748 0.419 . . . . 73.34 110.608 175.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.97 -46.87 90.35 Favored Glycine 0 C--N 1.351 1.385 0 CA-C-N 114.806 -1.088 . . . . 74.44 111.535 172.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -67.47 -34.43 77.16 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.431 0.692 . . . . 75.31 111.669 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 15.3 mt -68.7 -56.87 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 124.501 1.121 . . . . 61.52 110.137 -178.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -68.92 -27.21 65.56 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 119.41 -0.328 . . . . 70.54 111.357 -178.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -64.05 -59.39 4.52 Favored 'General case' 0 C--N 1.358 0.977 0 N-CA-C 109.439 -0.578 . . . . 72.41 109.439 172.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.554 ' OG1' HG22 ' A' ' 14' ' ' ILE . 12.5 t -65.6 -32.27 73.76 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 123.506 0.504 . . . . 52.21 111.7 -174.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 26.3 mt -69.52 -47.67 63.0 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.398 0.436 . . . . 65.52 110.755 177.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -59.41 -44.79 92.79 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-O 121.487 0.661 . . . . 34.45 110.708 178.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.439 HD22 ' N ' ' A' ' 74' ' ' ASN . 0.8 OUTLIER -75.19 -35.42 61.54 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 114.649 -1.16 . . . . 74.54 110.524 -173.778 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.598 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 31.9 tt0 -79.37 -24.42 42.66 Favored 'General case' 0 N--CA 1.482 1.141 0 O-C-N 123.752 0.657 . . . . 65.35 110.713 176.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -67.26 -47.48 70.61 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 108.714 -0.846 . . . . 74.44 108.714 174.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.8 mt -63.53 -39.06 93.44 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 114.4 -1.273 . . . . 75.25 110.751 174.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.598 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 13.9 mt -57.73 -63.43 1.25 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.353 0.661 . . . . 74.43 110.886 174.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.3 pptp? -66.09 -28.97 69.23 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 123.415 0.447 . . . . 72.13 111.494 -171.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.28 -51.19 34.0 Favored Glycine 0 C--N 1.351 1.381 0 O-C-N 123.714 0.634 . . . . 75.32 112.141 175.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.524 HD22 ' HB1' ' A' ' 25' ' ' ALA . 8.5 tt -60.71 -45.85 92.64 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.094 0.958 . . . . 74.44 110.452 178.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.638 HD13 ' HE1' ' A' 1008 ' ' TRP . 53.5 mt -75.4 -36.4 60.87 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.352 1.061 . . . . 71.44 111.337 -171.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.1 tm0? -62.19 -51.26 68.54 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 108.372 -0.973 . . . . 62.21 108.372 172.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -55.92 -41.78 75.11 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 124.214 0.946 . . . . 74.03 111.364 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -65.12 -51.93 58.37 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.996 0.918 . . . . 70.4 109.828 -177.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.591 HD11 ' HB3' ' A' 1005 ' ' LEU . 92.4 mt -71.73 -26.28 62.41 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.161 0.584 . . . . 71.32 112.023 -177.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -70.82 -47.84 57.26 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.005 0.922 . . . . 71.51 108.62 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.79 -53.54 57.22 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-N 114.689 -1.141 . . . . 70.32 110.187 172.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 76.4 mt -53.34 -39.19 63.93 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 124.126 0.971 . . . . 74.21 112.035 178.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 73.9 m . . . . . 0 N--CA 1.477 0.889 0 N-CA-C 109.784 -0.45 . . . . 71.22 109.784 176.429 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 47.9 ttp . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 111.798 0.296 . . . . 75.1 111.798 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 41.3 p -66.19 -39.6 89.8 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 116.207 -0.452 . . . . 71.0 111.529 -177.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1003 ' ' THR . . . . . 0.511 ' O ' ' HG2' ' A' 1007 ' ' ARG . 95.9 m -60.42 -49.52 77.26 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.284 0.634 . . . . 60.45 109.888 179.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -54.56 -53.16 58.25 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.973 0.796 . . . . 72.32 110.477 176.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1005 ' ' LEU . . . . . 0.591 ' HB3' HD11 ' A' ' 86' ' ' LEU . 51.0 mt -72.33 -22.05 61.23 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 113.376 0.88 . . . . 74.25 113.376 -174.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 32.6 p -80.62 -40.97 24.74 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 119.045 0.839 . . . . 60.41 110.387 177.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1007 ' ' ARG . . . . . 0.511 ' HG2' ' O ' ' A' 1003 ' ' THR . 35.0 mmt180 -64.46 -36.74 85.16 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-O 121.621 0.724 . . . . 62.42 109.657 173.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1008 ' ' TRP . . . . . 0.638 ' HE1' HD13 ' A' ' 82' ' ' LEU . 20.4 t-105 -61.27 -52.77 63.34 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.176 -1.375 . . . . 73.34 110.432 174.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1009 ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' 1005 ' ' LEU . 40.2 mt -64.65 -36.06 83.04 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.033 0.533 . . . . 71.34 112.341 -177.014 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 14.0 t -75.47 -27.88 59.02 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 117.66 0.209 . . . . 44.4 110.501 178.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -73.54 -32.99 64.49 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.846 0.458 . . . . 73.51 111.221 173.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1012 ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' 1008 ' ' TRP . 26.3 mt -68.3 -45.25 73.55 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 109.322 -0.622 . . . . 74.43 109.322 173.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 35.5 t70 -61.35 -37.43 83.3 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 114.623 -1.171 . . . . 51.4 110.401 178.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 8.7 t30 -63.02 -53.05 59.94 Favored 'General case' 0 C--N 1.349 0.554 0 O-C-N 124.33 1.019 . . . . 73.24 110.011 175.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 52.2 t80 -59.49 -60.67 3.47 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 123.705 0.628 . . . . 74.21 110.314 -178.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -44.53 -55.26 5.26 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.257 1.423 . . . . 63.14 112.646 176.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -64.37 -56.27 15.51 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.089 0.556 . . . . 74.32 112.323 -177.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1018 ' ' LYS . . . . . 0.523 ' HE2' ' HA ' ' A' 1018 ' ' LYS . 9.7 mmpt? -63.27 -39.63 95.13 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.266 0.626 . . . . 63.43 111.557 -175.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1019 ' ' MET . . . . . 0.534 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.0 OUTLIER -79.08 -22.66 44.94 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.056 -0.52 . . . . 62.23 110.68 -176.68 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -67.34 -36.7 81.97 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.52 0.328 . . . . 33.21 110.232 166.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 79.8 mt -77.41 -20.41 54.66 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 118.336 -0.84 . . . . 32.13 112.717 179.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1022 ' ' LEU . . . . . 0.534 ' HG ' ' HA ' ' A' 1019 ' ' MET . 47.4 mt . . . . . 0 N--CA 1.5 2.048 0 C-N-CA 123.413 0.685 . . . . 71.43 111.727 174.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.8 m . . . . . 0 N--CA 1.485 1.276 0 CA-C-O 120.72 0.295 . . . . 75.55 111.393 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p -62.11 -46.41 89.19 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.418 1.087 . . . . 75.44 111.643 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 78.2 m -56.24 -57.82 10.59 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 124.833 1.253 . . . . 74.21 111.176 178.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.5 t -58.16 -45.16 88.76 Favored 'Isoleucine or valine' 0 C--N 1.35 0.605 0 C-N-CA 123.576 0.75 . . . . 62.55 110.775 -178.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.0 -55.66 31.32 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 115.762 -0.654 . . . . 70.3 110.5 -176.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -59.84 -52.22 66.36 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 124.821 1.249 . . . . 73.44 111.493 -175.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.472 HG23 ' HE1' ' A' ' 67' ' ' TYR . 93.1 mt -61.46 -50.5 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 123.681 0.792 . . . . 71.11 111.176 -177.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.73 -32.73 73.56 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.158 0.583 . . . . 71.02 111.741 -173.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.439 ' O ' HG13 ' A' ' 14' ' ' ILE . 99.2 mtt180 -66.92 -52.86 38.02 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 109.857 -0.423 . . . . 74.3 109.857 174.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -59.67 -35.11 73.8 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 112.04 0.385 . . . . 64.11 112.04 177.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.436 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 47.2 tt0 -63.05 -50.38 70.85 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.968 0.907 . . . . 74.51 109.858 179.262 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.3 tpt180 -55.44 -45.94 76.78 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 124.607 1.192 . . . . 72.53 110.415 177.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 10' ' ' ARG . 80.7 mt -63.36 -37.68 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 123.942 0.897 . . . . 64.35 111.232 -178.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.33 -42.3 93.04 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.038 0.535 . . . . 64.51 110.858 177.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 81.2 mt -70.26 -34.04 72.33 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.561 0.744 . . . . 52.33 111.003 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.592 HD13 ' HA ' ' A' ' 40' ' ' TYR . 80.1 mt -66.1 -60.39 2.86 Favored 'General case' 0 C--O 1.206 -1.219 0 C-N-CA 123.673 0.789 . . . . 72.43 109.301 177.136 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.1 p -57.27 -34.9 69.11 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.943 0.897 . . . . 52.33 111.953 -178.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -62.73 -54.08 44.66 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.95 0.9 . . . . 61.02 111.406 175.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.546 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 73.2 p -63.82 -42.72 97.6 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.877 -0.601 . . . . 73.44 110.285 -178.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.51 HD23 HD12 ' A' ' 24' ' ' LEU . 98.7 mt -63.43 -38.66 92.0 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.329 1.451 . . . . 61.55 110.967 179.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.455 HD22 ' HA ' ' A' ' 74' ' ' ASN . 48.4 tp -61.8 -47.52 84.76 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 123.631 0.582 . . . . 54.44 109.54 176.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.485 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 38.5 tt0 -59.14 -40.97 87.12 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 124.46 1.1 . . . . 65.42 110.467 178.212 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 20' ' ' SER . 91.3 mt -58.7 -49.36 77.85 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.227 0.611 . . . . 74.12 110.165 178.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.57 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -63.6 -35.85 81.87 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.439 0.695 . . . . 72.51 111.992 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -71.56 -28.17 63.67 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 123.59 0.756 . . . . 55.12 111.203 177.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 29.7 mmt180 -91.62 -19.45 22.69 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 123.511 0.724 . . . . 73.02 111.631 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.32 17.21 51.07 Favored Glycine 0 N--CA 1.474 1.178 0 N-CA-C 113.597 0.199 . . . . 72.13 113.597 -176.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -84.77 92.62 8.27 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.029 0.932 . . . . 64.13 110.463 174.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 29.7 m95 -89.74 -23.03 21.9 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.045 0.938 . . . . 75.31 111.793 -177.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -71.18 -52.78 17.27 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-N 117.628 0.195 . . . . 73.31 110.868 -177.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 68.1 mt -66.01 -25.1 66.92 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.032 0.133 . . . . 73.43 110.912 176.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.454 HD12 HD22 ' A' ' 21' ' ' LEU . 17.1 tp -65.55 -46.25 80.25 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 123.714 0.634 . . . . 54.34 109.926 175.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.3 mt -74.38 -25.41 59.47 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.951 0.9 . . . . 74.35 112.026 178.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -78.56 -40.95 33.34 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 121.551 0.691 . . . . 75.45 110.167 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -87.58 -10.09 52.52 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.511 1.124 . . . . 52.12 111.815 176.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -45.39 -60.24 2.26 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 124.207 1.003 . . . . 73.42 111.067 171.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.4 m -65.74 -29.08 45.85 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-N 114.633 -1.167 . . . . 75.41 112.083 -175.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.0 m -68.79 -44.84 72.77 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.384 0.674 . . . . 61.41 110.487 177.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.592 ' HA ' HD13 ' A' ' 17' ' ' LEU . 54.2 t80 -65.75 -47.41 75.35 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.189 0.996 . . . . 75.43 110.588 -178.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 76.7 mt -68.94 -34.47 75.41 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 123.924 0.765 . . . . 53.42 110.902 -177.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -62.91 -45.21 93.56 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 122.912 0.485 . . . . 64.41 110.776 174.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 42.1 m -64.52 -37.0 86.02 Favored 'General case' 0 CA--C 1.551 1.015 0 CA-C-N 115.615 -0.72 . . . . 50.53 111.306 179.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.0 mt -57.2 -50.85 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.521 1.128 . . . . 72.34 110.578 173.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 45.6 mt-10 -57.78 -56.1 26.32 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-N 114.658 -1.156 . . . . 74.14 110.545 -179.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.0 t -66.72 -33.14 74.98 Favored 'General case' 0 CA--C 1.55 0.943 0 O-C-N 123.415 0.447 . . . . 52.1 111.913 -172.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.7 p -74.4 -33.61 33.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 O-C-N 121.955 -0.465 . . . . 41.1 110.76 178.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 45.5 ttm -76.2 -22.04 55.75 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 116.043 -0.526 . . . . 63.32 110.116 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 23.6 mm-40 . . . . . 0 N--CA 1.474 0.75 0 C-N-CA 123.28 0.632 . . . . 71.5 110.392 170.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.472 0.651 0 N-CA-C 112.046 0.387 . . . . 63.44 112.046 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.623 HH21 ' HB3' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -52.66 -40.06 62.47 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.512 1.125 . . . . 75.32 111.637 -173.055 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 59.5 p -59.95 -57.29 13.49 Favored 'General case' 0 C--O 1.25 1.083 0 C-N-CA 123.434 0.694 . . . . 70.12 111.657 -178.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.1 mt -61.09 -54.07 40.45 Favored 'Isoleucine or valine' 0 C--N 1.359 1.004 0 C-N-CA 123.392 0.677 . . . . 54.33 109.278 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -52.16 -40.84 61.98 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.758 1.223 . . . . 60.15 112.291 -177.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.623 ' HB3' HH21 ' A' ' 58' ' ' ARG . 34.2 t70 -77.87 -38.74 45.29 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.381 0.672 . . . . 74.54 111.633 -175.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 63.4 mtm -65.94 -45.58 81.3 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 109.835 -0.432 . . . . 73.11 109.835 175.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.8 t -61.86 -41.49 90.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 124.68 1.192 . . . . 62.12 110.745 175.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' A' ' 69' ' ' LYS . . . -64.95 -31.98 73.48 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 122.96 0.504 . . . . 73.01 109.944 176.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.04 -45.66 95.1 Favored Glycine 0 C--N 1.35 1.355 0 N-CA-C 111.472 -0.651 . . . . 71.24 111.472 173.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.472 ' HE1' HG23 ' A' ' 8' ' ' ILE . 16.0 m-85 -69.2 -32.34 71.54 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.206 0.602 . . . . 62.1 111.471 178.336 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.0 mt -69.74 -46.69 73.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.396 1.079 . . . . 75.24 110.286 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 14.6 mmmm -71.84 -31.88 66.95 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.541 -0.299 . . . . 71.1 110.615 179.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -56.87 -59.41 5.08 Favored 'General case' 0 C--N 1.358 0.951 0 O-C-N 123.78 0.675 . . . . 64.13 109.408 169.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.4 t -69.81 -34.87 74.28 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 115.947 -0.569 . . . . 70.11 111.965 -169.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 53.3 mt -72.55 -36.89 68.36 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 122.957 0.503 . . . . 63.4 111.67 178.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -72.73 -45.54 58.19 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-O 121.058 0.456 . . . . 75.43 109.957 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.455 ' HA ' HD22 ' A' ' 22' ' ' LEU . 11.5 m120 -66.86 -36.41 82.25 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.367 -0.833 . . . . 54.32 110.92 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.449 ' HG2' ' HD2' ' A' ' 79' ' ' LYS . 39.4 tt0 -70.72 -37.78 73.55 Favored 'General case' 0 C--O 1.209 -1.043 0 O-C-N 123.752 0.658 . . . . 64.13 110.295 175.475 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -64.03 -42.04 97.22 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 121.234 0.54 . . . . 43.0 110.233 -179.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.5 mt -68.52 -36.57 79.05 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.1 -0.955 . . . . 63.43 110.956 174.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.9 mt -59.07 -64.06 1.08 Allowed 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.498 0.719 . . . . 72.12 110.818 174.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.449 ' HD2' ' HG2' ' A' ' 75' ' ' GLU . 10.9 ptmt -65.71 -29.06 69.54 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.34 1.056 . . . . 74.0 111.187 -172.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.85 -62.77 5.38 Favored Glycine 0 C--N 1.352 1.444 0 O-C-N 124.085 0.866 . . . . 53.52 111.799 169.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.57 HD22 ' HB1' ' A' ' 25' ' ' ALA . 9.1 tt -56.76 -42.15 78.85 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.766 0.826 . . . . 53.41 110.885 -178.012 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 40.3 mt -71.2 -44.58 65.13 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 114.852 -1.067 . . . . 73.04 111.351 -173.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.418 ' HG3' ' N ' ' A' ' 84' ' ' GLN . 4.0 pt20 -67.8 -39.31 84.02 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 109.606 -0.516 . . . . 64.51 109.606 179.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.418 ' N ' ' HG3' ' A' ' 83' ' ' GLN . 20.2 mm-40 -59.1 -45.22 91.44 Favored 'General case' 0 C--N 1.361 1.106 0 O-C-N 123.88 0.737 . . . . 74.34 110.446 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.429 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 50.4 ttt-85 -72.24 -35.83 68.92 Favored 'General case' 0 C--O 1.212 -0.91 0 CA-C-N 115.09 -0.959 . . . . 63.02 110.269 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.453 HD11 ' HB3' ' A' 1005 ' ' LEU . 75.6 mt -69.41 -25.31 64.08 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-O 119.199 -0.429 . . . . 74.14 110.438 176.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -68.45 -44.23 75.35 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.587 0.755 . . . . 63.31 109.01 173.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -59.22 -60.75 3.36 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 115.08 -0.964 . . . . 74.41 110.06 175.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 86.0 mt -56.35 -40.5 74.6 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.196 1.398 . . . . 74.4 111.839 -176.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 93.4 p . . . . . 0 CA--C 1.545 0.776 0 C-N-CA 122.521 0.328 . . . . 61.32 110.86 179.634 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 48.7 ttp . . . . . 0 N--CA 1.477 0.909 0 CA-C-O 120.426 0.155 . . . . 73.41 111.276 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 62.9 p -66.16 -54.06 29.93 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 116.274 -0.421 . . . . 65.22 111.42 -174.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 66.6 p -61.46 -43.55 98.67 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.019 0.528 . . . . 71.33 111.821 -173.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -70.5 -44.05 68.43 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 123.362 0.414 . . . . 71.5 111.053 -178.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1005 ' ' LEU . . . . . 0.538 ' O ' ' HG ' ' A' 1009 ' ' LEU . 40.3 mt -66.07 -39.17 89.86 Favored 'General case' 0 C--N 1.357 0.923 0 O-C-N 123.264 0.352 . . . . 71.21 111.675 178.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 66.5 p -69.27 -38.56 78.46 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 118.14 0.427 . . . . 73.41 110.86 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -65.87 -35.2 79.98 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.398 0.679 . . . . 73.32 110.392 173.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1008 ' ' TRP . . . . . 0.555 ' O ' ' HG ' ' A' 1012 ' ' LEU . 0.3 OUTLIER -65.58 -41.34 92.98 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 114.916 -1.038 . . . . 72.24 109.658 175.877 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1009 ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' 1005 ' ' LEU . 88.6 mt -71.65 -30.82 66.16 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.145 0.578 . . . . 74.05 109.571 -178.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 64.9 m -64.85 -44.81 88.57 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.44 1.096 . . . . 53.4 110.167 173.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -71.48 -29.13 64.48 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.54 0.736 . . . . 41.02 111.468 179.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1012 ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' 1008 ' ' TRP . 22.7 mt -70.04 -44.13 69.85 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 109.268 -0.641 . . . . 52.35 109.268 176.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 31.0 t70 -62.27 -40.12 95.18 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.067 0.947 . . . . 73.4 110.492 178.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -62.37 -51.11 68.88 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 115.267 -0.879 . . . . 44.01 110.724 177.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 46.1 t80 -57.4 -60.44 3.63 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 123.973 0.795 . . . . 73.45 110.075 178.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -41.87 -54.88 3.27 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.637 1.575 . . . . 70.3 111.983 177.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1017 ' ' ALA . . . . . 0.409 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -60.76 -60.0 4.5 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 124.075 0.859 . . . . 64.11 112.468 -178.16 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -70.67 -30.58 67.22 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.283 0.633 . . . . 75.04 111.867 -170.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1019 ' ' MET . . . . . 0.495 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.0 OUTLIER -80.71 -28.22 36.72 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 116.229 -0.441 . . . . 71.15 110.025 -179.111 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -67.27 -37.13 82.96 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 109.359 -0.608 . . . . 64.23 109.359 168.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1021 ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' 1017 ' ' ALA . 91.7 mt -71.8 -23.28 61.53 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 118.43 -0.795 . . . . 74.24 112.315 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1022 ' ' LEU . . . . . 0.495 ' HG ' ' HA ' ' A' 1019 ' ' MET . 62.2 mt . . . . . 0 N--CA 1.494 1.752 0 O-C-N 123.727 0.642 . . . . 74.21 110.835 171.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.1 p . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.432 0.158 . . . . 72.25 111.264 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.2 t -59.37 -46.97 87.18 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.369 0.668 . . . . 75.41 110.553 174.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.3 m -57.74 -54.33 48.05 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.382 1.073 . . . . 50.41 111.891 178.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 84.8 t -59.09 -57.01 13.25 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 O-C-N 123.943 0.777 . . . . 73.34 109.842 -176.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -57.6 -45.03 85.82 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 123.801 0.688 . . . . 73.52 111.196 -178.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -60.26 -55.28 35.62 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.425 0.69 . . . . 73.35 111.157 -175.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.66 HD11 HG12 ' A' ' 60' ' ' ILE . 74.5 mt -64.16 -42.29 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 123.448 0.699 . . . . 74.32 111.088 -178.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.15 -37.2 83.37 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.047 0.539 . . . . 74.03 110.853 -177.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.55 ' HD3' HG23 ' A' ' 46' ' ' THR . 91.3 mtt180 -71.68 -47.76 51.97 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.704 0.402 . . . . 71.22 110.012 -179.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -57.93 -38.66 76.33 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 123.146 0.279 . . . . 71.41 111.121 174.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.469 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 57.8 tt0 -58.48 -57.73 11.64 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 123.795 0.685 . . . . 74.31 109.977 177.37 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.438 ' HG2' ' HA ' ' A' ' 10' ' ' ARG . 12.1 ptm180 -66.22 -25.92 67.14 Favored 'General case' 0 C--O 1.212 -0.879 0 O-C-N 123.644 0.59 . . . . 60.21 111.79 -175.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 10' ' ' ARG . 88.3 mt -70.15 -41.82 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 C-N-CA 123.176 0.59 . . . . 73.11 110.13 176.003 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.5 -41.26 89.13 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.65 0.38 . . . . 41.45 110.647 176.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.57 ' HA ' HE21 ' A' ' 19' ' ' GLN . 82.6 mt -66.51 -42.58 87.11 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.517 0.727 . . . . 62.0 110.393 179.301 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 40' ' ' TYR . 37.5 mt -67.05 -46.43 74.42 Favored 'General case' 0 C--O 1.207 -1.172 0 C-N-CA 123.076 0.551 . . . . 61.11 110.061 178.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.1 p -64.14 -38.96 92.96 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 117.867 0.303 . . . . 75.11 111.447 -176.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.57 HE21 ' HA ' ' A' ' 16' ' ' LEU . 25.7 pt20 -76.48 -35.62 58.29 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 123.077 0.236 . . . . 71.53 111.463 -179.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 86.5 p -69.82 -50.95 37.89 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 109.695 -0.483 . . . . 64.13 109.695 178.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.465 HD13 ' HH2' ' A' 1008 ' ' TRP . 91.3 mt -57.89 -34.29 69.64 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.745 1.218 . . . . 74.42 111.303 174.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 36.6 tp -63.09 -50.36 70.84 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 110.131 -0.322 . . . . 73.24 110.131 175.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -65.77 -24.8 67.02 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 123.694 0.621 . . . . 73.33 111.319 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.451 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 97.0 mt -77.07 -33.36 57.13 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.581 0.752 . . . . 71.21 110.468 173.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.578 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -71.39 -31.0 66.79 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.111 0.564 . . . . 74.2 109.902 176.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -73.42 -36.91 66.04 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.984 0.914 . . . . 74.11 109.923 172.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.464 ' HB3' ' HG2' ' A' ' 29' ' ' GLU . 9.7 tpp180 -77.44 -17.36 58.16 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.825 0.85 . . . . 75.55 111.768 -178.575 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.09 18.08 65.75 Favored Glycine 0 C--N 1.348 1.198 0 CA-C-N 116.614 -0.267 . . . . 74.22 113.698 -178.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.464 ' HG2' ' HB3' ' A' ' 27' ' ' ARG . 28.5 mm-40 -79.85 69.49 6.21 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.086 0.954 . . . . 65.25 111.335 178.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 31.9 m95 -64.81 -32.07 73.59 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.71 0.804 . . . . 65.31 110.417 -177.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -63.11 -49.28 75.07 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.244 1.017 . . . . 74.43 110.859 177.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.4 mt -67.37 -30.39 70.17 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.022 0.529 . . . . 54.31 111.292 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 81.9 mt -64.71 -49.69 69.88 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 122.778 0.431 . . . . 73.52 110.498 174.108 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.558 HD21 ' HG ' ' A' 1005 ' ' LEU . 85.7 mt -73.3 -22.04 60.44 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.235 0.614 . . . . 71.53 112.385 -176.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -77.31 -50.83 11.98 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.281 0.562 . . . . 62.22 109.841 176.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.46 ' HB2' HD21 ' A' ' 21' ' ' LEU . 48.5 mt-30 -76.17 -9.77 58.89 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.441 1.096 . . . . 63.3 112.145 177.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -42.14 -60.62 1.39 Allowed 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.756 1.222 . . . . 64.15 112.025 176.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.1 p -59.4 -34.69 55.13 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 123.483 0.713 . . . . 65.22 111.574 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.9 m -73.07 -42.02 63.48 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.686 0.795 . . . . 73.43 112.129 -174.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.409 ' HA ' HD13 ' A' ' 17' ' ' LEU . 31.3 t80 -72.25 -42.19 65.92 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.245 0.618 . . . . 74.15 110.205 179.098 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.4 mt -67.73 -30.41 69.89 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 116.092 -0.504 . . . . 74.3 110.499 176.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -67.13 -46.29 74.56 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.522 0.729 . . . . 52.14 110.475 176.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.4 p -65.07 -38.75 91.8 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 116.364 -0.38 . . . . 74.31 110.887 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.6 mt -57.63 -58.53 5.79 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 124.201 1.0 . . . . 61.03 110.947 175.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.96 -37.47 87.55 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 115.707 -0.678 . . . . 64.31 110.837 -174.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.55 HG23 ' HD3' ' A' ' 10' ' ' ARG . 6.2 t -76.33 -30.53 57.71 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-O 119.283 -0.389 . . . . 64.03 111.767 -175.15 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.1 p -75.82 -29.43 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 CA-C-N 118.446 0.566 . . . . 64.44 110.081 175.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 39.0 ttm -78.11 -23.65 47.81 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 115.728 -0.669 . . . . 50.32 110.634 177.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 . . . . . 0 N--CA 1.484 1.238 0 C-N-CA 123.405 0.682 . . . . 71.32 110.601 168.321 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 111.734 0.272 . . . . 63.42 111.734 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 44.8 mtm105 -54.1 -45.71 71.9 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.89 0.876 . . . . 75.2 112.125 -175.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.2 m -58.8 -54.91 41.8 Favored 'General case' 0 C--O 1.243 0.715 0 O-C-N 123.951 0.782 . . . . 73.03 111.352 -174.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.66 HG12 HD11 ' A' ' 8' ' ' ILE . 64.4 mt -61.25 -55.15 26.47 Favored 'Isoleucine or valine' 0 C--N 1.353 0.721 0 O-C-N 123.747 0.655 . . . . 72.32 109.746 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -55.01 -35.78 64.75 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.981 0.913 . . . . 73.31 111.741 -176.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -72.33 -58.26 3.54 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.208 0.603 . . . . 54.42 110.208 -179.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 75.1 mtm -56.43 -47.78 78.38 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 124.069 0.855 . . . . 73.51 110.376 -177.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.5 t -59.06 -48.06 87.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-N 114.57 -1.195 . . . . 75.22 111.435 176.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.12 -27.8 69.19 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 122.784 0.433 . . . . 74.52 111.701 178.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.07 -51.84 26.34 Favored Glycine 0 C--N 1.346 1.126 0 N-CA-C 111.156 -0.778 . . . . 72.12 111.156 174.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -61.72 -33.02 73.28 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.702 0.801 . . . . 74.42 111.126 177.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.424 HG23 ' HE1' ' A' 1019 ' ' MET . 14.2 mt -63.17 -57.73 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.013 1.325 . . . . 72.33 109.781 177.242 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -57.7 -46.14 84.75 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 123.94 0.775 . . . . 61.21 110.001 -177.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -55.94 -56.88 15.37 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 124.185 0.928 . . . . 62.3 110.889 178.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.3 t -67.11 -26.18 66.57 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 111.924 0.342 . . . . 74.15 111.924 -172.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.659 HD11 ' SD ' ' A' 1019 ' ' MET . 81.6 mt -76.16 -34.19 59.37 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.1 0.56 . . . . 63.21 111.553 176.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -72.87 -44.68 61.05 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-O 121.268 0.556 . . . . 73.51 110.222 175.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -71.06 -27.93 63.99 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.096 -0.956 . . . . 61.1 110.771 -179.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.47 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 37.7 tt0 -78.83 -36.46 42.52 Favored 'General case' 0 C--O 1.21 -1.026 0 C-N-CA 122.693 0.397 . . . . 73.13 110.157 174.32 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -57.38 -43.05 83.28 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-O 121.383 0.611 . . . . 75.34 109.422 173.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.3 mt -72.48 -36.61 68.49 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 114.652 -1.158 . . . . 75.42 111.844 176.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.47 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 6.1 mt -68.78 -65.23 0.73 Allowed 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 123.189 0.596 . . . . 72.33 110.196 177.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.545 ' HA ' HD22 ' A' 1009 ' ' LEU . 36.1 ttpt -54.29 -36.68 63.94 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.996 1.718 . . . . 53.43 111.737 178.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.74 -50.9 38.86 Favored Glycine 0 C--N 1.348 1.223 0 O-C-N 123.673 0.608 . . . . 75.4 113.452 175.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.578 HD22 ' HB1' ' A' ' 25' ' ' ALA . 10.0 tt -61.97 -52.56 63.51 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.872 0.869 . . . . 62.15 109.96 -178.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.402 HD13 ' HE1' ' A' 1008 ' ' TRP . 41.7 mt -62.04 -39.18 91.49 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 114.401 -1.272 . . . . 74.21 111.952 -178.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -64.74 -47.11 79.44 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 110.083 -0.34 . . . . 55.1 110.083 176.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -62.52 -36.21 81.86 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.839 0.712 . . . . 74.33 110.999 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.446 ' NH1' HD11 ' A' ' 89' ' ' LEU . 3.9 tmt_? -76.81 -31.77 57.17 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 115.24 -0.891 . . . . 71.52 109.384 -177.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.578 HD11 ' HB3' ' A' 1005 ' ' LEU . 86.3 mt -75.84 -30.13 58.84 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.235 0.614 . . . . 74.21 110.628 173.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -60.79 -46.46 90.41 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 108.014 -1.106 . . . . 74.12 108.014 173.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -60.84 -60.56 3.59 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 114.05 -1.432 . . . . 63.33 110.469 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.474 HD12 HD23 ' A' ' 86' ' ' LEU . 91.9 mt -49.93 -53.28 27.19 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 123.997 0.919 . . . . 72.32 111.769 -178.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.1 m . . . . . 0 CA--C 1.547 0.862 0 CA-C-N 115.423 -0.808 . . . . 73.3 111.643 -175.829 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1001 ' ' MET . . . . . . . . . . . . . 37.6 ttp . . . . . 0 N--CA 1.484 1.252 0 N-CA-C 111.9 0.333 . . . . 65.51 111.9 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1002 ' ' THR . . . . . . . . . . . . . 30.7 p -65.89 -53.95 32.9 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 119.016 -0.516 . . . . 72.4 111.346 -178.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1003 ' ' THR . . . . . . . . . . . . . 98.0 m -57.26 -46.0 83.47 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-O 120.85 0.357 . . . . 64.2 111.415 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 73.1 mtt-85 -55.83 -63.5 1.16 Allowed 'General case' 0 C--N 1.345 0.406 0 CA-C-N 114.759 -1.109 . . . . 74.01 110.936 178.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1005 ' ' LEU . . . . . 0.578 ' HB3' HD11 ' A' ' 86' ' ' LEU . 36.8 mt -61.88 -41.79 98.29 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 123.991 0.807 . . . . 75.43 112.069 -174.15 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1006 ' ' THR . . . . . . . . . . . . . 44.2 p -61.25 -52.61 64.02 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 117.953 0.342 . . . . 62.15 110.986 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 28.2 ttt180 -66.47 -26.17 67.06 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.836 0.454 . . . . 73.12 110.983 178.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1008 ' ' TRP . . . . . 0.499 ' O ' ' HG ' ' A' 1012 ' ' LEU . 0.0 OUTLIER -71.49 -36.13 71.01 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.887 0.875 . . . . 70.41 109.545 175.898 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1009 ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' 1005 ' ' LEU . 84.6 mt -73.38 -31.46 63.93 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 109.123 -0.695 . . . . 70.15 109.123 179.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 96.4 m -65.58 -44.76 85.69 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 114.607 -1.179 . . . . 54.43 110.344 172.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -71.25 -28.91 64.5 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.638 0.775 . . . . 73.2 111.097 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1012 ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' 1008 ' ' TRP . 19.0 mt -70.33 -48.65 55.51 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 115.731 -0.668 . . . . 73.23 109.319 175.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 22.1 t70 -73.7 -22.32 59.96 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.92 -0.582 . . . . 75.24 110.938 -177.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -68.92 -43.96 74.09 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.387 -0.597 . . . . 74.14 109.387 170.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 50.4 t80 -56.35 -57.76 10.87 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 123.871 0.732 . . . . 74.01 109.525 173.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -43.7 -52.15 6.69 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.251 1.42 . . . . 61.04 112.207 176.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1017 ' ' ALA . . . . . 0.42 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -62.31 -61.67 2.29 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.631 0.773 . . . . 75.24 111.534 -178.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 18.5 mmmt -57.81 -40.85 80.94 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.065 1.346 . . . . 62.41 112.511 -177.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1019 ' ' MET . . . . . 0.659 ' SD ' HD11 ' A' ' 72' ' ' LEU . 1.3 ppp? -79.18 -30.32 43.41 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.846 -0.615 . . . . 70.33 109.653 -172.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -66.84 -31.31 71.84 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 123.127 0.267 . . . . 71.43 110.471 169.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1021 ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' 1017 ' ' ALA . 96.1 mt -70.56 -29.95 66.54 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-O 118.379 -0.819 . . . . 54.15 111.77 175.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1022 ' ' LEU . . . . . 0.523 ' HG ' ' HA ' ' A' 1019 ' ' MET . 94.5 mt . . . . . 0 N--CA 1.505 2.322 0 CA-C-N 118.211 0.459 . . . . 71.22 111.252 175.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ptt? . . . . . 0 N--CA 1.483 1.204 0 N-CA-C 110.623 -0.14 . . . . 71.44 110.623 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.5 p -55.77 -45.93 78.04 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 112.878 0.696 . . . . 64.22 112.878 -175.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m -67.52 -34.35 76.92 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 122.596 0.358 . . . . 75.44 111.596 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.9 m -62.08 -51.91 66.03 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.754 0.822 . . . . 65.2 110.333 175.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 79.0 t -60.34 -51.68 70.15 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 O-C-N 124.047 0.842 . . . . 60.41 110.048 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -57.33 -47.17 82.25 Favored 'General case' 0 C--O 1.214 -0.799 0 O-C-N 123.547 0.529 . . . . 75.51 111.324 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.404 ' HZ ' HG23 ' A' 1025 ' ' VAL . 22.4 t80 -59.16 -55.01 40.42 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 122.924 0.49 . . . . 73.1 110.859 -176.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 65.1 mt -68.29 -42.61 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 123.56 0.744 . . . . 74.54 111.392 -176.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.519 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 7.1 m-80 -64.97 -43.74 91.65 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.555 0.742 . . . . 70.3 110.867 -179.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.591 ' HD3' HG23 ' A' ' 46' ' ' THR . 94.2 mtt180 -66.49 -44.58 82.23 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 118.806 -0.616 . . . . 72.31 110.203 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 35.3 m95 -57.85 -38.21 75.28 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 123.362 0.414 . . . . 74.51 111.075 173.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.422 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 63.9 tt0 -64.83 -42.58 94.84 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 123.682 0.793 . . . . 74.23 109.922 177.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.519 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 66.8 mmt-85 -65.62 -42.74 91.19 Favored 'General case' 0 C--O 1.211 -0.924 0 O-C-N 123.433 0.458 . . . . 73.41 110.076 -179.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 10' ' ' ARG . 83.0 mt -64.25 -39.43 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 124.006 0.922 . . . . 74.25 110.458 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.14 -45.33 85.44 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.81 0.844 . . . . 73.2 110.861 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 90.2 mt -71.36 -36.45 71.48 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.649 0.78 . . . . 64.43 110.775 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.2 mt -65.95 -52.9 45.56 Favored 'General case' 0 C--O 1.212 -0.875 0 C-N-CA 123.444 0.698 . . . . 65.32 109.564 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.2 p -62.8 -36.33 82.77 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 123.803 0.689 . . . . 75.52 110.955 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -61.96 -49.91 74.24 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 123.751 0.657 . . . . 73.12 110.517 174.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.4 m -60.4 -47.96 83.83 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 123.825 0.703 . . . . 65.04 110.813 179.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.537 HD13 ' HH2' ' A' 1008 ' ' TRP . 79.4 mt -65.58 -32.5 74.12 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.463 1.105 . . . . 73.41 110.518 -177.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.513 HD22 ' HA ' ' A' ' 74' ' ' ASN . 34.3 tp -64.26 -51.66 62.5 Favored 'General case' 0 C--N 1.352 0.675 0 O-C-N 123.78 0.675 . . . . 73.5 109.844 175.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.545 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 37.4 mm-40 -57.44 -47.77 80.92 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 124.203 0.939 . . . . 55.13 110.427 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.477 HD13 ' HB2' ' A' ' 32' ' ' LEU . 43.2 mt -59.59 -41.5 90.42 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 115.285 -0.87 . . . . 64.23 111.316 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.84 81.7 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.935 0.494 . . . . 61.2 111.005 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -72.16 -27.22 62.45 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.557 0.743 . . . . 60.2 110.917 176.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.545 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 7.4 mmm180 -94.94 -10.02 32.34 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 122.86 0.464 . . . . 71.53 112.032 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.78 11.63 67.81 Favored Glycine 0 C--N 1.345 1.059 0 N-CA-C 114.269 0.468 . . . . 62.44 114.269 178.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -84.37 80.55 9.17 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.614 0.766 . . . . 64.52 110.227 178.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 29.3 m95 -77.21 -19.26 56.93 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 123.729 0.811 . . . . 73.15 111.578 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -59.28 -50.75 72.81 Favored 'General case' 0 C--O 1.245 0.821 0 C-N-CA 125.198 1.399 . . . . 72.32 111.495 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.477 ' HB2' HD13 ' A' ' 24' ' ' LEU . 93.5 mt -74.27 -19.13 60.6 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.212 -0.904 . . . . 74.13 111.282 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.478 ' HA ' HD22 ' A' ' 21' ' ' LEU . 9.9 mp -66.54 -49.29 66.96 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 109.307 -0.627 . . . . 75.52 109.307 169.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.3 -34.61 78.07 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 124.063 0.852 . . . . 53.25 111.676 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -74.13 -56.16 5.24 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.126 0.571 . . . . 70.1 110.979 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.516 ' HB2' HD21 ' A' ' 21' ' ' LEU . 16.5 mt-30 -77.56 -8.3 57.61 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.369 1.068 . . . . 50.12 112.253 -176.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -43.61 -61.16 1.48 Allowed 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.927 1.291 . . . . 71.03 112.288 172.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.5 p -61.83 -33.42 57.77 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 O-C-N 123.935 0.772 . . . . 61.21 110.937 -177.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.5 m -64.18 -46.58 83.38 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.726 0.81 . . . . 75.53 110.885 177.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -68.85 -48.35 63.68 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 114.835 -1.075 . . . . 72.22 110.574 -174.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 80.7 mt -66.67 -38.08 86.09 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 124.14 0.9 . . . . 52.32 110.558 -178.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -58.91 -51.74 68.75 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 123.196 0.599 . . . . 73.13 110.644 174.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.2 m -59.23 -41.32 88.4 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.697 0.799 . . . . 73.33 111.385 -178.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.432 ' O ' HG12 ' A' ' 47' ' ' VAL . 19.8 mt -54.56 -56.53 9.79 Favored 'Isoleucine or valine' 0 C--O 1.252 1.19 0 C-N-CA 124.774 1.23 . . . . 60.31 111.116 174.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.507 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 50.6 mt-10 -64.34 -44.25 92.08 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 114.98 -1.009 . . . . 73.14 110.846 -174.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.591 HG23 ' HD3' ' A' ' 10' ' ' ARG . 11.3 t -72.43 -30.79 64.92 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 123.404 0.44 . . . . 71.04 111.964 -173.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 44' ' ' ILE . 5.9 p -73.75 -33.69 38.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 N-CA-C 109.587 -0.523 . . . . 73.44 109.587 174.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 41.7 ttm -72.44 -23.73 61.11 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 115.993 -0.549 . . . . 70.13 110.61 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 9.8 mm-40 -69.02 -24.23 64.18 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.891 0.476 . . . . 63.23 111.047 170.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -83.93 72.42 10.43 Favored 'General case' 0 C--N 1.347 0.467 0 N-CA-C 109.404 -0.591 . . . . 74.42 109.404 175.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -72.24 104.43 3.68 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 108.917 -0.771 . . . . 63.14 108.917 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.7 p -78.27 147.42 72.55 Favored Pre-proline 0 N--CA 1.475 0.791 0 C-N-CA 123.364 0.666 . . . . 64.31 110.652 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -58.71 156.55 31.84 Favored 'Trans proline' 0 C--N 1.378 2.083 0 C-N-CA 123.049 2.499 . . . . 61.34 113.264 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -51.26 -46.36 31.74 Favored 'Trans proline' 0 C--N 1.383 2.36 0 C-N-CA 123.561 2.841 . . . . 64.42 112.259 176.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -83.69 64.07 4.35 Favored Glycine 0 C--N 1.346 1.105 0 O-C-N 123.824 0.703 . . . . 62.01 112.532 176.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.4 tp -67.44 149.5 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 N-CA-C 109.273 -0.639 . . . . 63.4 109.273 172.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 80.7 p -84.83 159.18 20.46 Favored 'General case' 0 C--O 1.246 0.885 0 C-N-CA 123.154 0.582 . . . . 71.04 111.002 -176.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -51.94 -68.73 0.15 Allowed 'General case' 0 C--N 1.357 0.913 0 C-N-CA 124.837 1.255 . . . . 72.32 112.913 -172.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.2 m -55.9 -44.69 78.46 Favored 'General case' 0 C--O 1.249 1.071 0 O-C-N 124.342 1.026 . . . . 63.25 112.498 -172.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 62.9 mt -58.78 -53.6 45.2 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 O-C-N 124.163 0.915 . . . . 72.25 109.824 178.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -62.63 -36.61 83.36 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 123.85 0.719 . . . . 75.44 111.371 -176.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -65.68 -50.04 66.37 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 122.724 0.41 . . . . 54.01 111.351 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 75.7 mtm -64.14 -46.16 85.31 Favored 'General case' 0 N--CA 1.485 1.319 0 O-C-N 123.612 0.57 . . . . 74.24 110.713 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.1 t -58.97 -47.7 88.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 124.542 1.137 . . . . 64.31 111.08 178.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.72 -32.88 74.76 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.601 0.76 . . . . 75.11 110.851 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.435 ' O ' ' HG3' ' A' ' 70' ' ' GLN . . . -62.24 -48.01 85.65 Favored Glycine 0 C--N 1.353 1.502 0 O-C-N 123.783 0.677 . . . . 21.23 111.455 172.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -66.29 -29.13 69.29 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.359 0.664 . . . . 74.13 111.633 178.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.4 mt -70.27 -41.61 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 124.009 0.924 . . . . 75.01 109.914 176.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -60.56 -45.24 94.64 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.507 0.323 . . . . 75.42 110.249 174.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 66' ' ' GLY . 74.9 mt-30 -56.48 -59.07 5.52 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 124.655 1.222 . . . . 61.33 110.302 178.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.407 ' OG1' HG22 ' A' ' 14' ' ' ILE . 14.6 t -68.92 -37.87 79.2 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 112.405 0.52 . . . . 73.15 112.405 -171.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.9 mt -70.81 -34.72 72.02 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 118.081 0.4 . . . . 73.32 111.349 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -72.02 -46.05 58.55 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 122.529 0.332 . . . . 75.54 110.512 176.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.513 ' HA ' HD22 ' A' ' 22' ' ' LEU . 94.2 m-20 -61.9 -44.79 96.08 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.425 0.69 . . . . 63.03 110.536 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.485 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 37.0 tt0 -74.28 -28.15 61.06 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 124.144 0.902 . . . . 73.3 111.068 -178.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -61.54 -51.25 69.37 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-O 121.382 0.61 . . . . 65.32 109.787 172.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.92 -41.27 97.7 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 114.421 -1.263 . . . . 74.45 110.435 178.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.485 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 30.6 mt -57.58 -45.19 85.51 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.971 0.908 . . . . 65.32 111.465 172.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -62.43 -52.34 63.96 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.827 0.851 . . . . 73.53 110.221 -173.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.23 -41.94 91.39 Favored Glycine 0 C--N 1.349 1.268 0 O-C-N 123.899 0.749 . . . . 62.12 113.199 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.4 tt -60.95 -52.62 64.24 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.011 0.924 . . . . 73.4 110.232 -178.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.525 HD13 ' HE1' ' A' 1008 ' ' TRP . 24.3 mt -74.16 -24.84 59.46 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.16 0.984 . . . . 73.03 111.59 -175.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.1 -48.3 74.15 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 109.257 -0.646 . . . . 74.22 109.257 172.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -73.0 -28.38 62.34 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 115.809 -0.632 . . . . 70.11 111.453 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -72.11 -51.21 22.54 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 109.586 -0.524 . . . . 74.44 109.586 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.62 HD11 ' HB3' ' A' 1005 ' ' LEU . 84.4 mt -63.79 -30.47 71.56 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 123.532 0.52 . . . . 40.4 111.265 176.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -56.25 -57.45 12.19 Favored 'General case' 0 C--O 1.244 0.779 0 O-C-N 123.99 0.806 . . . . 74.34 109.641 171.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.5 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 55.3 mt-10 -60.35 -44.72 95.29 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.438 -0.801 . . . . 71.13 111.475 178.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 88.1 mt -60.73 -44.33 96.79 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.595 0.758 . . . . 53.43 111.36 -176.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 80.8 p -69.15 -30.8 69.12 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 122.661 0.384 . . . . 75.54 110.862 178.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.0 t -65.77 -33.56 76.15 Favored 'General case' 0 CA--C 1.555 1.173 0 O-C-N 123.507 0.504 . . . . 72.42 111.086 171.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 47.4 mt -73.38 -41.2 63.66 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.193 0.597 . . . . 64.1 110.168 177.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 95.4 mt -69.03 -37.02 76.52 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 C-N-CA 124.425 1.09 . . . . 72.03 111.022 -177.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -162.57 -79.58 0.03 OUTLIER Glycine 0 C--N 1.335 0.49 0 N-CA-C 110.822 -0.911 . . . . 74.31 110.822 177.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -162.77 133.36 4.7 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 108.522 -0.918 . . . . 72.21 108.522 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 12.7 p -87.83 160.47 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 N-CA-C 108.86 -0.792 . . . . 72.55 108.86 173.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -79.23 154.46 29.19 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 109.181 -0.674 . . . . 75.43 109.181 170.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -55.92 -31.71 63.13 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.606 0.762 . . . . 62.51 111.04 174.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -146.93 119.74 8.66 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.698 1.199 . . . . 62.51 108.311 174.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -163.86 67.07 0.22 Allowed Glycine 0 CA--C 1.529 0.915 0 N-CA-C 112.011 -0.436 . . . . 41.25 112.011 178.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -87.1 39.44 0.6 Allowed 'Trans proline' 0 C--N 1.379 2.138 0 C-N-CA 123.438 2.759 . . . . 54.44 112.406 -176.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 31.5 t -139.59 -177.55 5.0 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.353 0.661 . . . . 60.41 109.936 -173.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.23 83.27 5.3 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.625 0.77 . . . . 73.13 110.06 176.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -150.65 -18.95 0.07 OUTLIER Glycine 0 N--CA 1.47 0.912 0 CA-C-N 115.295 -0.866 . . . . 61.13 112.289 177.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 79.0 mt -70.69 114.83 9.18 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.419 0.688 . . . . 64.11 109.969 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 40.1 t 64.64 87.83 0.12 Allowed Pre-proline 0 CA--C 1.56 1.347 0 C-N-CA 125.152 1.381 . . . . 71.33 110.478 -175.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -69.37 -38.08 9.16 Favored 'Trans proline' 0 C--N 1.379 2.166 0 C-N-CA 123.254 2.636 . . . . 71.02 113.16 -176.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -138.06 90.6 2.5 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 108.343 -0.984 . . . . 73.53 108.343 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -68.6 -27.69 73.65 Favored Glycine 0 C--N 1.349 1.257 0 CA-C-N 115.48 -0.782 . . . . 53.14 113.428 -177.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.6 m 66.34 -73.2 0.07 Allowed 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.109 1.363 . . . . 54.14 112.027 178.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -76.77 -144.35 1.69 Allowed Glycine 0 C--N 1.353 1.52 0 N-CA-C 113.887 0.315 . . . . 53.13 113.887 -177.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.0 -28.98 74.21 Favored Glycine 0 C--N 1.347 1.15 0 N-CA-C 113.917 0.327 . . . . 54.31 113.917 -175.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 38.0 pt -68.44 -21.37 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 123.311 0.645 . . . . 75.03 112.171 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -54.4 -52.56 61.31 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.937 0.895 . . . . 61.55 110.725 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -64.67 -40.43 97.48 Favored Glycine 0 C--N 1.346 1.095 0 CA-C-N 114.667 -1.151 . . . . 45.24 112.455 -178.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 57.9 ttp -59.89 -51.05 71.38 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.645 0.778 . . . . 72.24 111.0 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 41.2 p -69.76 -51.59 32.7 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 115.801 -0.636 . . . . 72.35 110.923 -175.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 31.1 m -59.17 -43.11 92.12 Favored 'General case' 0 CA--C 1.55 0.956 0 O-C-N 123.595 0.559 . . . . 44.53 111.562 -178.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -60.32 -59.9 4.67 Favored 'General case' 0 C--N 1.358 0.948 0 O-C-N 123.628 0.58 . . . . 73.45 110.557 175.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . 0.62 ' HB3' HD11 ' A' ' 86' ' ' LEU . 43.2 mt -66.33 -24.78 66.58 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.282 0.845 . . . . 73.13 113.282 -173.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 41.4 p -76.32 -46.61 26.93 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 118.524 0.602 . . . . 62.31 110.027 175.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 45.6 ttm-85 -59.69 -34.75 73.28 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-O 121.611 0.72 . . . . 73.21 110.046 173.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1008 ' ' TRP . . . . . 0.537 ' HH2' HD13 ' A' ' 21' ' ' LEU . 5.9 t-105 -66.92 -53.24 33.91 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.169 1.388 . . . . 74.53 109.699 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1009 ' ' LEU . . . . . . . . . . . . . 62.9 mt -63.04 -36.42 83.51 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 122.966 0.507 . . . . 44.01 111.706 -178.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 9.6 t -76.16 -27.56 57.02 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 110.494 -0.188 . . . . 71.34 110.494 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -76.51 -27.47 56.02 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.098 0.559 . . . . 75.24 111.111 173.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1012 ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' 1008 ' ' TRP . 30.7 mt -69.88 -50.36 43.19 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 109.136 -0.69 . . . . 74.11 109.136 175.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 21.2 t70 -60.19 -36.91 78.7 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 114.741 -1.118 . . . . 62.43 110.566 177.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 7.7 t30 -62.59 -48.57 78.86 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 123.443 0.697 . . . . 72.13 110.813 175.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1015 ' ' PHE . . . . . 0.425 ' CD2' HG23 ' A' ' 44' ' ' ILE . 32.9 t80 -60.19 -56.84 16.7 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 123.658 0.599 . . . . 72.42 109.868 179.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -41.75 -57.82 2.2 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.912 1.685 . . . . 53.22 112.091 175.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -64.78 -55.27 20.76 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 115.149 -0.932 . . . . 64.05 111.705 -175.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 65.1 tttm -67.71 -33.42 74.86 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.454 1.101 . . . . 50.24 111.555 -171.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1019 ' ' MET . . . . . 0.648 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.3 OUTLIER -80.86 -27.72 36.28 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.904 -0.589 . . . . 70.22 110.424 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -70.27 -26.78 63.98 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 110.148 -0.315 . . . . 55.51 110.148 167.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 95.8 mt -86.65 -11.72 50.51 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 118.401 -0.809 . . . . 71.0 112.455 177.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1022 ' ' LEU . . . . . 0.648 ' HG ' ' HA ' ' A' 1019 ' ' MET . 31.0 mt -44.06 110.03 0.93 Allowed Pre-proline 0 N--CA 1.498 1.947 0 C-N-CA 123.139 0.576 . . . . 73.12 111.573 169.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -75.76 -14.55 19.51 Favored 'Trans proline' 0 C--N 1.377 2.051 0 C-N-CA 122.252 1.968 . . . . 75.14 112.319 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -153.66 90.57 1.41 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.54 0.736 . . . . 75.34 110.467 -174.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1025 ' ' VAL . . . . . 0.404 HG23 ' HZ ' ' A' ' 7' ' ' PHE . 7.1 p . . . . . 0 CA--C 1.561 1.384 0 C-N-CA 124.897 1.279 . . . . 61.11 109.883 171.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.484 1.228 0 N-CA-C 111.159 0.059 . . . . 72.54 111.159 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.9 m -54.58 -68.87 0.15 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.083 0.953 . . . . 74.51 112.979 -170.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.9 m -73.43 -11.73 60.57 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 112.236 0.458 . . . . 44.14 112.236 -175.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 50.2 m -71.82 -57.01 4.71 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.588 0.755 . . . . 64.44 109.937 174.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.3 p -65.04 -32.35 57.9 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.989 0 C-N-CA 122.86 0.464 . . . . 73.0 109.902 178.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -56.88 -60.53 3.44 Favored 'General case' 0 C--N 1.365 1.261 0 N-CA-C 109.784 -0.45 . . . . 72.02 109.784 171.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -58.21 -52.58 64.98 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.284 1.033 . . . . 71.13 110.767 -171.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.609 HD11 HG12 ' A' ' 60' ' ' ILE . 69.9 mt -66.81 -46.28 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 123.905 0.882 . . . . 62.3 111.644 -175.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.418 HD22 ' N ' ' A' ' 9' ' ' ASN . 0.9 OUTLIER -71.79 -30.27 65.35 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-N 117.694 0.224 . . . . 75.5 111.493 -175.429 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.434 ' HD3' HG23 ' A' ' 46' ' ' THR . 94.5 mtt180 -72.22 -51.41 21.21 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 118.842 -0.599 . . . . 73.25 110.045 177.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 58.2 m95 -56.86 -37.6 71.54 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 123.605 0.565 . . . . 73.35 110.985 175.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -60.8 -51.7 68.2 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 123.943 0.777 . . . . 55.51 109.841 176.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -62.75 -36.47 83.15 Favored 'General case' 0 C--O 1.212 -0.877 0 O-C-N 124.305 1.003 . . . . 75.12 111.204 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.462 HG22 ' OG1' ' A' ' 71' ' ' THR . 89.9 mt -68.78 -39.22 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 123.658 0.783 . . . . 74.32 110.165 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.5 -42.33 87.51 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.55 0.74 . . . . 72.42 111.09 177.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.2 mt -71.05 -39.42 72.26 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.912 0.885 . . . . 74.55 110.893 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' A' ' 40' ' ' TYR . 38.2 mt -64.0 -48.49 76.18 Favored 'General case' 0 C--O 1.211 -0.967 0 C-N-CA 123.216 0.606 . . . . 43.34 109.468 176.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.3 p -66.07 -37.93 87.03 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.573 0.546 . . . . 70.21 111.418 -174.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -71.33 -35.22 71.14 Favored 'General case' 0 N--CA 1.484 1.252 0 O-C-N 123.171 0.295 . . . . 72.33 110.835 177.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.42 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 67.5 m -61.56 -60.01 4.34 Favored 'General case' 0 C--N 1.356 0.884 0 N-CA-C 108.942 -0.762 . . . . 72.02 108.942 173.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.631 HD13 ' HH2' ' A' 1008 ' ' TRP . 35.5 mt -52.21 -36.76 53.01 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.701 1.6 . . . . 72.24 112.032 178.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.58 HD22 ' HA ' ' A' ' 74' ' ' ASN . 37.2 tp -64.19 -56.12 16.92 Favored 'General case' 0 C--O 1.246 0.872 0 C-N-CA 123.643 0.777 . . . . 71.35 110.72 179.101 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 38.8 tt0 -59.84 -40.92 90.17 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 124.329 1.018 . . . . 61.22 109.684 -179.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.512 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 96.2 mt -66.92 -35.39 79.88 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.407 1.083 . . . . 74.33 111.343 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.56 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -65.41 -42.88 92.08 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.979 0.512 . . . . 63.24 109.688 177.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -65.47 -33.65 76.44 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 115.075 -0.966 . . . . 75.34 111.451 174.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.441 ' HD2' HD23 ' A' ' 24' ' ' LEU . 92.5 mtt-85 -73.37 -25.98 60.81 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.265 0.626 . . . . 53.34 111.221 176.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.2 13.85 55.31 Favored Glycine 0 C--N 1.348 1.219 0 O-C-N 123.409 0.443 . . . . 61.24 113.487 -176.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.512 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 41.1 mm-40 -77.04 75.5 3.61 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.52 1.128 . . . . 73.01 110.836 178.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -72.98 -28.85 62.63 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.598 0.359 . . . . 75.3 110.926 -177.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -59.68 -49.41 77.83 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.351 0.661 . . . . 63.32 110.717 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 78.0 mt -63.65 -34.13 77.15 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.615 0.766 . . . . 72.41 111.89 177.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.442 HD21 ' HB2' ' A' ' 25' ' ' ALA . 10.0 mp -66.15 -37.62 86.12 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 119.409 -0.329 . . . . 74.31 111.772 173.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.65 -36.88 73.62 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.195 0.598 . . . . 64.03 111.048 177.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -71.13 -52.66 18.0 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.338 0.655 . . . . 75.52 110.222 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.518 ' HB2' HD21 ' A' ' 21' ' ' LEU . 13.9 mt-30 -79.42 -10.86 59.89 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.277 1.031 . . . . 74.2 111.704 -178.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.425 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 11.0 tt0 -44.11 -63.78 0.8 Allowed 'General case' 0 C--N 1.366 1.302 0 C-N-CA 123.428 0.691 . . . . 74.43 110.87 171.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.409 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 6.0 p -58.1 -42.65 83.58 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 O-C-N 124.319 1.012 . . . . 70.24 111.107 -176.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.7 m -60.38 -46.14 91.04 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.389 0.676 . . . . 62.13 111.312 -178.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.436 ' HA ' HD13 ' A' ' 17' ' ' LEU . 55.4 t80 -67.35 -45.07 77.41 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.234 1.014 . . . . 63.11 110.564 -176.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 57.3 mt -67.28 -40.1 86.09 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 123.981 0.801 . . . . 72.14 110.782 -177.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 85.1 mm-40 -67.31 -36.77 82.18 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.506 0.323 . . . . 74.31 110.616 178.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.8 m -61.82 -40.29 94.74 Favored 'General case' 0 CA--C 1.551 0.993 0 O-C-N 123.595 0.56 . . . . 53.22 110.875 173.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.0 mt -61.1 -47.46 93.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.278 1.031 . . . . 70.34 111.156 176.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.45 -54.47 46.43 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.631 0.772 . . . . 73.31 111.153 178.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.434 HG23 ' HD3' ' A' ' 10' ' ' ARG . 14.8 t -72.28 -24.02 61.28 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 112.603 0.594 . . . . 62.52 112.603 -173.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.6 p -79.99 -41.14 21.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 CA-C-N 118.293 0.497 . . . . 51.12 110.353 176.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.475 ' SD ' ' HG2' ' A' 1018 ' ' LYS . 53.9 ttm -78.53 -14.49 59.32 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.035 0.534 . . . . 73.43 109.867 -178.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -62.85 -32.01 73.15 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 124.256 1.023 . . . . 73.12 110.952 172.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.64 106.4 13.49 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.024 0.929 . . . . 70.13 109.742 176.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -92.99 139.03 30.95 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 109.59 -0.522 . . . . 75.34 109.59 170.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 31.0 p -90.21 137.13 27.96 Favored Pre-proline 0 CA--C 1.541 0.615 0 CA-C-O 118.873 -0.584 . . . . 72.45 109.691 173.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -61.6 158.58 36.21 Favored 'Trans proline' 0 CA--C 1.56 1.822 0 C-N-CA 123.041 2.494 . . . . 54.11 113.263 177.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -40.11 -46.68 4.06 Favored 'Trans proline' 0 C--N 1.383 2.358 0 C-N-CA 124.747 3.631 . . . . 62.23 115.225 174.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -80.68 53.44 4.54 Favored Glycine 0 C--N 1.346 1.119 0 CA-C-N 116.352 -0.386 . . . . 42.12 113.185 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.3 tp -85.27 135.55 24.65 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 C-N-CA 123.82 0.848 . . . . 75.32 108.934 175.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.9 t -62.17 149.14 42.38 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.432 0.693 . . . . 65.24 111.85 -176.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -58.34 -32.37 68.46 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.18 0.992 . . . . 74.32 112.717 -171.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.7 m -63.78 -56.71 13.49 Favored 'General case' 0 C--O 1.249 1.073 0 C-N-CA 123.093 0.557 . . . . 64.54 111.09 -178.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.609 HG12 HD11 ' A' ' 8' ' ' ILE . 66.3 mt -60.74 -49.99 82.28 Favored 'Isoleucine or valine' 0 C--N 1.357 0.91 0 CA-C-N 115.515 -0.766 . . . . 73.44 109.265 178.133 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -56.51 -40.04 74.35 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 124.212 0.945 . . . . 72.23 111.72 -178.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -67.29 -57.62 6.32 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.517 0.727 . . . . 72.53 111.199 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 69.7 mtm -61.67 -48.38 81.08 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 123.582 0.551 . . . . 55.03 110.516 -175.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 22.8 t -59.82 -43.92 92.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 124.37 1.068 . . . . 63.31 111.327 178.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.72 -34.09 77.09 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 117.922 0.328 . . . . 70.54 110.477 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.8 -46.6 93.79 Favored Glycine 0 C--N 1.348 1.214 0 N-CA-C 111.112 -0.795 . . . . 75.43 111.112 173.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -70.2 -31.57 69.08 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.16 0.984 . . . . 63.51 111.634 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.448 HG23 ' HE1' ' A' 1019 ' ' MET . 17.9 mt -69.57 -55.19 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.338 1.055 . . . . 73.34 109.901 -178.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -63.67 -36.21 83.1 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 123.557 0.536 . . . . 54.54 110.212 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -62.42 -54.94 32.91 Favored 'General case' 0 C--N 1.357 0.91 0 O-C-N 123.846 0.716 . . . . 55.24 110.807 176.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.462 ' OG1' HG22 ' A' ' 14' ' ' ILE . 6.4 t -69.34 -36.42 76.89 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 123.45 0.469 . . . . 74.34 111.74 -172.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.471 HD22 ' HG2' ' A' 1016 ' ' GLU . 83.5 mt -70.93 -35.79 72.38 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.651 0.594 . . . . 74.25 111.159 177.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -65.11 -45.82 83.56 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-O 120.958 0.409 . . . . 62.31 110.133 174.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.58 ' HA ' HD22 ' A' ' 22' ' ' LEU . 86.1 m-20 -65.34 -40.02 93.1 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 115.282 -0.872 . . . . 71.4 110.71 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.581 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 36.1 tt0 -79.53 -21.32 45.37 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.951 0.9 . . . . 74.35 110.754 -178.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -69.17 -46.22 68.06 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 108.667 -0.864 . . . . 60.5 108.667 172.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.3 mt -69.65 -35.26 75.03 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 114.685 -1.143 . . . . 74.15 110.957 177.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.581 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 19.5 mt -62.15 -46.02 90.87 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.643 0.777 . . . . 63.03 110.441 171.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -62.03 -49.82 74.48 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.908 0.755 . . . . 71.33 109.903 -177.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.47 -49.22 75.87 Favored Glycine 0 C--N 1.351 1.385 0 O-C-N 123.967 0.792 . . . . 65.41 112.597 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.56 HD22 ' HB1' ' A' ' 25' ' ' ALA . 10.5 tt -62.86 -60.3 3.67 Favored 'General case' 0 C--O 1.215 -0.747 0 C-N-CA 123.489 0.716 . . . . 62.33 110.359 -178.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.633 HD13 ' HE1' ' A' 1008 ' ' TRP . 41.4 mt -64.26 -34.09 77.31 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.992 0.917 . . . . 73.25 112.905 -173.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.03 -46.72 70.4 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 108.746 -0.835 . . . . 54.21 108.746 175.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -61.33 -36.71 80.91 Favored 'General case' 0 C--N 1.357 0.904 0 O-C-N 123.883 0.739 . . . . 73.43 110.796 176.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -75.26 -44.19 47.26 Favored 'General case' 0 C--O 1.21 -1.015 0 C-N-CA 123.847 0.859 . . . . 74.22 110.821 -174.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.516 HD11 ' HB3' ' A' 1005 ' ' LEU . 98.5 mt -67.57 -38.57 84.27 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 117.919 0.327 . . . . 70.31 110.591 177.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -63.11 -45.66 90.96 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.762 0.825 . . . . 74.1 110.578 174.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.526 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 36.3 tt0 -63.21 -56.91 12.73 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.881 0.872 . . . . 62.42 109.874 -178.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.402 HD23 HD12 ' A' ' 92' ' ' LEU . 96.9 mt -54.57 -42.02 70.54 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.056 1.343 . . . . 75.12 111.733 178.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.694 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 94.5 p -68.6 -29.92 68.54 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 122.201 0.201 . . . . 73.11 110.617 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.499 ' HB3' HG22 ' A' ' 96' ' ' VAL . 53.1 m -80.27 -25.73 39.32 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 123.046 0.538 . . . . 61.43 111.942 174.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 79.0 mt -74.3 -44.85 50.92 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 121.568 0.699 . . . . 73.22 109.98 178.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 72.1 mt -81.61 -53.62 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 CA-C-N 114.437 -1.256 . . . . 73.13 109.517 -176.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -93.87 -169.88 38.39 Favored Glycine 0 C--N 1.343 0.92 0 CA-C-N 115.405 -0.816 . . . . 64.51 112.579 -178.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -86.51 122.98 31.2 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 123.813 0.845 . . . . 62.43 108.927 -175.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.499 HG22 ' HB3' ' A' ' 91' ' ' SER . 20.2 t -65.22 104.69 0.52 Allowed 'Isoleucine or valine' 0 C--O 1.243 0.714 0 O-C-N 123.868 0.73 . . . . 72.5 109.565 -179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.419 HD22 HD11 ' A' ' 105' ' ' LEU . 2.4 pt? -83.17 -168.78 2.22 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.177 0.591 . . . . 71.31 110.073 177.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.484 ' HE1' ' HD2' ' A' ' 101' ' ' PRO . 50.7 p90 -60.28 136.71 58.12 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 123.515 0.726 . . . . 65.22 110.749 170.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -81.19 75.66 8.16 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 121.282 0.563 . . . . 64.44 109.713 176.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -119.97 -122.65 3.02 Favored Glycine 0 C--N 1.34 0.77 0 CA-C-O 118.681 -1.066 . . . . 34.34 110.574 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.484 ' HD2' ' HE1' ' A' ' 98' ' ' PHE . 36.7 Cg_exo -60.81 158.36 33.62 Favored 'Trans proline' 0 C--N 1.374 1.878 0 C-N-CA 122.931 2.421 . . . . 75.33 112.661 170.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.2 m -71.54 94.5 1.31 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.555 0.742 . . . . 73.41 109.486 176.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -94.85 132.19 39.92 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.159 0.584 . . . . 71.12 110.162 179.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.07 83.42 1.29 Allowed Glycine 0 C--N 1.345 1.056 0 O-C-N 123.598 0.561 . . . . 72.25 112.197 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.694 ' HB2' ' HB2' ' A' ' 90' ' ' SER . 77.0 mt -63.65 -38.89 92.82 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 109.333 -0.617 . . . . 74.04 109.333 173.138 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.407 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 16.3 m -77.06 132.24 71.18 Favored Pre-proline 0 CA--C 1.557 1.221 0 CA-C-N 115.289 -0.869 . . . . 75.42 109.7 170.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 106' ' ' VAL . 13.5 Cg_exo -70.81 132.63 22.01 Favored 'Trans proline' 0 C--N 1.374 1.896 0 C-N-CA 122.99 2.46 . . . . 72.51 112.35 177.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -77.58 77.7 4.1 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.559 0.744 . . . . 61.42 110.082 173.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -109.43 -167.26 20.27 Favored Glycine 0 C--N 1.338 0.687 0 CA-C-N 115.907 -0.588 . . . . 72.41 112.266 -178.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 42.2 m -125.02 99.76 6.27 Favored 'General case' 0 C--O 1.241 0.631 0 C-N-CA 123.389 0.676 . . . . 60.14 109.191 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 177.12 -130.59 1.66 Allowed Glycine 0 C--N 1.346 1.108 0 CA-C-O 119.483 -0.621 . . . . 25.42 112.1 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -76.0 -90.56 0.23 Allowed Glycine 0 C--N 1.351 1.404 0 CA-C-N 117.097 0.449 . . . . 62.4 112.439 -173.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.6 tt -70.29 -30.17 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 123.115 0.566 . . . . 61.04 109.654 176.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -62.47 -43.24 99.3 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 114.996 -1.002 . . . . 73.42 109.216 179.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -66.76 -46.54 74.12 Favored Glycine 0 C--N 1.349 1.266 0 CA-C-N 114.667 -1.151 . . . . 61.22 112.166 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 51.1 ttp -55.27 -50.71 68.83 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.324 0.649 . . . . 74.24 110.969 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 40.4 p -70.85 -45.37 64.6 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.509 -0.768 . . . . 41.31 111.451 -174.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 4.5 t -62.12 -38.77 90.19 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 123.255 0.347 . . . . 73.23 110.294 -178.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -71.76 -43.6 65.48 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 116.001 -0.545 . . . . 62.52 110.63 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . 0.516 ' HB3' HD11 ' A' ' 86' ' ' LEU . 52.7 mt -67.94 -32.81 73.52 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 112.023 0.379 . . . . 72.42 112.023 178.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 55.2 p -73.1 -43.23 62.05 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 118.021 0.373 . . . . 53.5 110.662 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -67.54 -29.56 68.98 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 120.992 0.425 . . . . 74.2 110.246 175.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1008 ' ' TRP . . . . . 0.633 ' HE1' HD13 ' A' ' 82' ' ' LEU . 0.8 OUTLIER -67.55 -41.19 84.67 Favored 'General case' 0 C--O 1.216 -0.687 0 C-N-CA 124.848 1.259 . . . . 71.51 109.962 177.138 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1009 ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' 1005 ' ' LEU . 91.3 mt -73.46 -30.91 63.49 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 109.34 -0.615 . . . . 70.55 109.34 -179.237 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 95.5 m -64.48 -40.43 95.68 Favored 'General case' 0 CA--C 1.551 1.004 0 O-C-N 124.131 0.894 . . . . 73.03 110.536 171.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -73.95 -31.94 63.27 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.624 0.77 . . . . 71.42 111.162 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1012 ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' 1008 ' ' TRP . 26.7 mt -69.16 -43.41 74.34 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 108.508 -0.923 . . . . 73.25 108.508 176.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 22.0 t70 -59.62 -43.89 93.65 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 114.682 -1.144 . . . . 63.23 110.732 177.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 63.8 t30 -64.43 -47.97 77.11 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 124.054 0.846 . . . . 71.12 110.389 -178.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 38.0 t80 -61.65 -58.79 6.67 Favored 'General case' 0 C--N 1.357 0.901 0 C-N-CA 123.557 0.743 . . . . 73.25 110.701 178.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1016 ' ' GLU . . . . . 0.471 ' HG2' HD22 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -49.29 -53.68 20.69 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.236 1.414 . . . . 73.24 110.924 -177.622 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1017 ' ' ALA . . . . . 0.449 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -61.1 -58.9 6.44 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 124.138 0.899 . . . . 52.25 110.733 -178.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1018 ' ' LYS . . . . . 0.475 ' HG2' ' SD ' ' A' ' 48' ' ' MET . 0.4 OUTLIER -59.09 -40.33 84.94 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.478 0.711 . . . . 74.03 112.232 -175.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1019 ' ' MET . . . . . 0.613 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.3 OUTLIER -78.85 -24.0 44.64 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 116.582 -0.281 . . . . 73.22 110.918 -174.182 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -70.21 -36.25 74.46 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 109.267 -0.642 . . . . 64.3 109.267 167.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1021 ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' 1017 ' ' ALA . 93.4 mt -78.41 -11.95 59.98 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 118.276 -0.868 . . . . 63.0 112.0 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1022 ' ' LEU . . . . . 0.613 ' HG ' ' HA ' ' A' 1019 ' ' MET . 38.8 mt -49.3 107.65 0.82 Allowed Pre-proline 0 N--CA 1.5 2.034 0 C-N-CA 123.637 0.775 . . . . 74.02 111.46 171.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -83.86 -23.18 3.27 Favored 'Trans proline' 0 C--N 1.375 1.942 0 C-N-CA 122.526 2.151 . . . . 64.23 111.591 172.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -74.68 -44.62 49.31 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.935 0.894 . . . . 71.45 111.082 -175.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1025 ' ' VAL . . . . . . . . . . . . . 21.0 t . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.435 -0.793 . . . . 63.21 109.002 -179.498 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ptm . . . . . 0 N--CA 1.479 1.008 0 CA-C-O 118.842 -0.599 . . . . 75.22 111.967 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.8 p -66.74 -52.66 41.8 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 118.362 0.528 . . . . 64.24 110.214 177.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.8 t -55.27 -42.87 74.11 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.081 0.952 . . . . 61.42 111.191 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 50.3 m -59.08 -57.88 11.12 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.129 1.372 . . . . 72.12 111.624 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.9 p -68.41 -33.78 62.12 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 O-C-N 123.315 0.384 . . . . 63.24 110.64 -172.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -66.95 -48.7 67.79 Favored 'General case' 0 C--O 1.217 -0.652 0 C-N-CA 122.401 0.28 . . . . 73.22 110.299 176.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -58.42 -51.28 70.5 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.391 0.676 . . . . 72.21 110.808 -177.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.664 HD11 HG12 ' A' ' 60' ' ' ILE . 97.2 mt -64.03 -44.94 97.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.15 0.98 . . . . 62.31 111.391 -178.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.29 -39.55 78.26 Favored 'General case' 0 N--CA 1.484 1.266 0 O-C-N 123.397 0.436 . . . . 45.11 111.278 -176.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.53 ' HD3' HG23 ' A' ' 46' ' ' THR . 84.7 mtt180 -69.33 -40.69 77.43 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.747 0.654 . . . . 73.04 110.335 -178.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 36.3 m95 -65.28 -39.37 92.5 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 123.1 0.25 . . . . 65.4 111.426 173.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.414 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 59.2 tt0 -59.76 -42.83 94.12 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 123.969 0.793 . . . . 72.21 109.971 176.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -65.5 -44.0 88.42 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 123.901 0.751 . . . . 73.11 110.889 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 10' ' ' ARG . 73.0 mt -64.41 -35.72 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 122.947 0.499 . . . . 72.34 110.607 178.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.55 -50.76 66.03 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.802 0.841 . . . . 73.25 110.716 177.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 97.7 mt -63.98 -42.43 97.22 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 115.161 -0.927 . . . . 63.1 110.633 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 40' ' ' TYR . 55.9 mt -62.81 -57.44 10.88 Favored 'General case' 0 C--O 1.213 -0.861 0 C-N-CA 124.012 0.925 . . . . 74.52 110.252 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 81.1 p -57.46 -37.38 72.79 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.846 0.858 . . . . 50.04 111.672 -177.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -63.37 -49.03 75.45 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.709 0.804 . . . . 54.15 110.955 176.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.7 m -60.9 -44.98 96.38 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 123.875 0.735 . . . . 74.34 110.406 178.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.534 HD13 ' HH2' ' A' 1008 ' ' TRP . 60.9 mt -64.24 -36.67 84.84 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.837 1.255 . . . . 71.42 110.634 -179.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.633 HD22 ' HA ' ' A' ' 74' ' ' ASN . 35.2 tp -65.53 -44.53 86.58 Favored 'General case' 0 C--N 1.351 0.647 0 C-N-CA 122.999 0.52 . . . . 74.22 109.882 178.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -59.84 -40.57 88.96 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 124.078 0.862 . . . . 53.24 109.995 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.406 ' HA ' ' HB2' ' A' ' 27' ' ' ARG . 75.8 mt -72.85 -25.63 61.18 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.11 0.964 . . . . 74.23 112.202 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.553 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -74.39 -39.72 62.51 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.047 0.539 . . . . 75.01 109.654 173.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -68.19 -28.32 67.16 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.835 0.854 . . . . 73.11 110.672 174.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.406 ' HB2' ' HA ' ' A' ' 24' ' ' LEU . 10.1 mmm180 -81.92 -27.44 33.35 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.272 1.029 . . . . 64.31 111.563 176.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.68 11.67 67.97 Favored Glycine 0 C--N 1.341 0.825 0 CA-C-O 119.467 -0.63 . . . . 42.23 113.605 -175.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.37 82.99 4.62 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.171 0.588 . . . . 75.11 110.457 174.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -73.91 -26.7 60.67 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 115.856 -0.611 . . . . 72.4 109.908 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -52.84 -51.67 60.07 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.805 1.242 . . . . 72.33 111.999 175.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.2 mt -73.68 -22.95 59.78 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.752 -0.658 . . . . 64.51 111.585 -176.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 42.1 mt -67.58 -43.67 80.0 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 109.555 -0.535 . . . . 62.15 109.555 171.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.69 -31.99 69.06 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.458 0.703 . . . . 62.41 111.862 177.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -70.27 -47.94 59.05 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.375 0.67 . . . . 65.22 110.214 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -87.25 -10.41 52.53 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.441 1.096 . . . . 53.54 112.0 -176.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.497 ' HG3' ' CE3' ' A' 1008 ' ' TRP . 31.3 tt0 -43.87 -56.71 3.71 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 124.087 0.955 . . . . 63.24 111.72 176.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.6 p -55.43 -41.2 61.59 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 C-N-CA 123.91 0.884 . . . . 71.52 112.155 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.4 m -72.24 -38.25 68.96 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.288 0.635 . . . . 72.11 112.156 -177.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.423 ' HA ' HD13 ' A' ' 17' ' ' LEU . 35.5 t80 -71.25 -46.29 61.33 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.178 0.591 . . . . 71.23 110.507 -177.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 77.9 mt -69.1 -33.42 73.47 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 123.822 0.701 . . . . 70.3 110.6 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -62.59 -45.01 94.88 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.417 0.687 . . . . 71.24 110.946 172.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.432 ' HA ' HG22 ' A' ' 46' ' ' THR . 6.7 t -67.57 -37.81 83.19 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 123.057 0.543 . . . . 63.22 109.899 -178.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.2 mt -59.12 -56.37 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.85 1.26 . . . . 75.55 111.329 176.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 12.5 pt-20 -67.35 -37.01 82.57 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 116.577 -0.283 . . . . 71.31 110.981 -176.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.53 HG23 ' HD3' ' A' ' 10' ' ' ARG . 4.3 t -71.75 -31.71 66.95 Favored 'General case' 0 C--N 1.36 1.048 0 O-C-N 122.998 0.186 . . . . 54.54 111.443 -175.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.9 p -77.49 -31.78 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 O-C-N 122.132 -0.355 . . . . 63.11 110.238 173.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 39.8 ttm -77.37 -12.2 59.93 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 122.615 0.366 . . . . 74.43 110.77 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' ' 45' ' ' GLU . 50.9 mt-10 -71.86 -24.23 61.65 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 122.909 0.484 . . . . 74.43 110.6 165.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.465 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -98.72 92.42 5.58 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.908 0.883 . . . . 75.0 110.492 -178.653 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.3 mp0 -87.14 107.65 18.55 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.555 0.742 . . . . 54.15 109.329 168.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.588 ' HB ' HD13 ' A' ' 56' ' ' ILE . 32.9 p -81.46 147.51 60.05 Favored Pre-proline 0 CA--C 1.553 1.063 0 N-CA-C 109.426 -0.583 . . . . 72.25 109.426 168.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -63.39 156.81 54.0 Favored 'Trans proline' 0 CA--C 1.564 2.0 0 C-N-CA 122.729 2.286 . . . . 52.23 113.55 -178.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -49.04 -45.48 29.06 Favored 'Trans proline' 0 C--N 1.386 2.525 0 C-N-CA 123.853 3.035 . . . . 73.42 112.996 172.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -79.19 57.03 4.39 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 115.555 -0.748 . . . . 50.32 112.768 174.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.588 HD13 ' HB ' ' A' ' 52' ' ' THR . 10.3 tp -78.43 145.58 9.47 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 C-N-CA 123.674 0.79 . . . . 71.51 108.952 175.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.9 t -65.97 155.04 37.76 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.515 0.326 . . . . 72.34 111.025 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -58.11 -40.16 80.49 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.251 1.02 . . . . 74.31 111.476 -172.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.8 m -55.11 -55.79 27.08 Favored 'General case' 0 C--O 1.247 0.942 0 C-N-CA 123.617 0.767 . . . . 74.5 111.759 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.664 HG12 HD11 ' A' ' 8' ' ' ILE . 57.9 mt -67.8 -38.84 80.88 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-N 115.057 -0.974 . . . . 74.13 109.958 -178.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -53.38 -54.6 34.37 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.471 0.708 . . . . 64.11 110.433 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.68 -43.49 47.14 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 123.965 0.79 . . . . 62.24 112.139 -173.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 74.6 mtm -61.26 -50.46 72.94 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-O 120.648 0.261 . . . . 50.23 110.861 179.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.0 t -66.99 -37.26 79.04 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.701 0 CA-C-N 115.574 -0.739 . . . . 74.14 111.198 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.81 -31.59 72.6 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-N 118.182 0.446 . . . . 73.15 110.821 175.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.52 -44.73 71.16 Favored Glycine 0 C--N 1.351 1.369 0 O-C-N 123.911 0.757 . . . . 75.11 111.6 173.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -67.66 -28.97 68.16 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.074 0.55 . . . . 54.42 111.18 178.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.459 HG23 ' HE1' ' A' 1019 ' ' MET . 20.5 mt -74.02 -43.69 51.6 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 124.744 1.218 . . . . 53.5 109.643 179.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -61.59 -42.65 99.16 Favored 'General case' 0 C--N 1.35 0.625 0 N-CA-C 109.724 -0.473 . . . . 74.22 109.724 174.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -56.77 -60.14 4.0 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 123.954 0.784 . . . . 64.34 110.176 176.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.421 ' OG1' HG22 ' A' ' 14' ' ' ILE . 14.7 t -66.57 -42.41 87.1 Favored 'General case' 0 C--O 1.212 -0.891 0 CA-C-O 118.968 -0.539 . . . . 75.53 112.09 -171.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.42 HD21 ' SD ' ' A' 1019 ' ' MET . 67.9 mt -69.89 -34.68 73.84 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 119.302 -0.38 . . . . 63.14 111.811 -177.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -73.76 -46.28 46.67 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 122.835 0.454 . . . . 72.53 109.886 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.633 ' HA ' HD22 ' A' ' 22' ' ' LEU . 90.4 m-20 -62.0 -41.69 98.32 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.77 0.828 . . . . 64.5 110.672 178.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.567 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 35.1 tt0 -77.56 -29.05 52.01 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.016 0.926 . . . . 72.45 110.831 -178.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -60.8 -46.98 88.38 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 109.204 -0.665 . . . . 74.12 109.204 172.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.7 mt -69.82 -34.59 73.89 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 114.663 -1.153 . . . . 72.34 111.4 176.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.567 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 18.1 mt -59.81 -63.35 1.33 Allowed 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.178 0.591 . . . . 74.43 110.504 174.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.456 ' HE2' ' HG2' ' A' ' 75' ' ' GLU . 45.4 mtmt -55.59 -38.87 69.97 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.291 1.037 . . . . 64.12 112.828 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.33 -51.87 55.24 Favored Glycine 0 C--N 1.344 0.998 0 O-C-N 123.368 0.417 . . . . 75.14 112.365 175.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.553 HD22 ' HB1' ' A' ' 25' ' ' ALA . 10.1 tt -68.38 -39.23 81.82 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.222 1.009 . . . . 61.45 111.26 -176.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.513 HD13 ' HE1' ' A' 1008 ' ' TRP . 36.2 mt -79.2 -31.85 43.86 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.063 0.945 . . . . 70.31 111.011 -174.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 59.1 tp60 -68.8 -47.46 66.05 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.96 -0.756 . . . . 73.32 108.96 173.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.414 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 7.2 tp-100 -53.76 -41.54 67.27 Favored 'General case' 0 CA--C 1.55 0.955 0 O-C-N 124.312 1.008 . . . . 70.22 110.945 173.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -75.18 -41.58 57.73 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.515 0.726 . . . . 72.42 111.126 -174.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.454 HD23 HD12 ' A' ' 89' ' ' LEU . 88.8 mt -73.22 -21.91 60.55 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.962 0.505 . . . . 53.52 111.055 179.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -74.68 -40.25 61.5 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.021 -0.733 . . . . 70.13 109.021 173.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.514 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 46.1 mt-10 -57.79 -56.21 24.83 Favored 'General case' 0 C--N 1.366 1.301 0 O-C-N 123.765 0.666 . . . . 62.14 109.656 171.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.454 HD12 HD23 ' A' ' 86' ' ' LEU . 95.2 mt -59.67 -37.51 78.96 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.929 1.292 . . . . 75.44 112.239 -178.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.0 t -60.86 -46.5 90.35 Favored 'General case' 0 C--N 1.35 0.628 0 N-CA-C 109.218 -0.66 . . . . 73.05 109.218 174.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.515 ' HA ' ' HB3' ' A' ' 95' ' ' GLN . 17.7 t -69.94 -32.0 70.04 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 115.523 -0.762 . . . . 74.22 112.228 -179.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 64.3 mt -71.71 -53.04 14.79 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 122.827 0.451 . . . . 75.24 110.309 -177.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 75.7 mt -69.5 -36.94 73.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 115.111 -0.949 . . . . 73.44 110.599 -177.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 162.01 103.45 0.18 Allowed Glycine 0 C--N 1.343 0.924 0 N-CA-C 111.466 -0.653 . . . . 64.2 111.466 175.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.515 ' HB3' ' HA ' ' A' ' 91' ' ' SER . 11.3 pt20 -66.09 91.56 0.16 Allowed 'General case' 0 N--CA 1.48 1.042 0 CA-C-O 121.492 0.663 . . . . 73.43 111.352 -178.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.46 HG22 HD22 ' A' ' 97' ' ' LEU . 8.7 p -91.77 -47.05 14.31 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 CA-C-N 115.347 -0.842 . . . . 70.02 109.024 174.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.46 HD22 HG22 ' A' ' 96' ' ' VAL . 2.9 mm? -136.64 168.72 18.96 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 125.161 1.384 . . . . 74.15 108.626 173.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -112.89 -49.24 2.94 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.033 0.933 . . . . 74.51 110.031 -177.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -81.28 141.48 34.05 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.713 0.405 . . . . 45.55 110.002 171.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 152.67 71.26 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 123.799 0.687 . . . . 70.22 111.984 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -75.48 -0.25 9.9 Favored 'Trans proline' 0 C--N 1.38 2.214 0 C-N-CA 122.929 2.419 . . . . 73.53 112.759 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.689 ' HA ' ' HB ' ' A' 1006 ' ' THR . 54.0 m -142.95 10.89 1.78 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.507 0.723 . . . . 75.53 111.543 176.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -97.22 131.14 44.24 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 123.052 0.541 . . . . 70.24 109.801 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -80.48 74.76 2.31 Favored Glycine 0 C--N 1.346 1.119 0 N-CA-C 110.708 -0.957 . . . . 61.24 110.708 174.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.412 HD22 ' HB2' ' A' ' 97' ' ' LEU . 91.9 mt -63.63 -26.43 68.67 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.021 0.928 . . . . 71.34 112.115 -174.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 20.3 m -91.53 144.0 28.92 Favored Pre-proline 0 CA--C 1.555 1.149 0 N-CA-C 108.965 -0.754 . . . . 73.25 108.965 172.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.9 118.3 5.6 Favored 'Trans proline' 0 C--N 1.372 1.808 0 C-N-CA 122.085 1.856 . . . . 74.21 112.363 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 7.6 ptp85 -83.85 163.04 20.34 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.174 0.59 . . . . 73.22 110.506 175.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 73.49 41.75 43.39 Favored Glycine 0 C--N 1.342 0.861 0 N-CA-C 111.46 -0.656 . . . . 42.34 111.46 -168.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 37.6 t -139.62 -48.44 0.47 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.816 0.847 . . . . 63.14 111.536 -175.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -162.39 -137.72 2.25 Favored Glycine 0 C--N 1.354 1.536 0 C-N-CA 121.276 -0.487 . . . . 71.12 114.003 -171.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -107.08 -22.85 7.33 Favored Glycine 0 C--N 1.355 1.6 0 CA-C-O 119.9 -0.389 . . . . 70.14 113.469 -176.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 26.8 pt -57.79 -36.19 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 C-N-CA 123.145 0.578 . . . . 70.21 111.327 177.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.22 -37.92 75.8 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.66 1.184 . . . . 54.45 111.372 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -63.16 -58.94 9.84 Favored Glycine 0 C--N 1.351 1.392 0 N-CA-C 110.559 -1.017 . . . . 52.0 110.559 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 51.2 ttp -56.86 -44.49 82.22 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.513 0.725 . . . . 71.32 111.721 -178.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 40.3 p -70.74 -54.04 13.26 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-O 119.167 -0.444 . . . . 72.55 111.887 -176.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 85.6 m -58.58 -41.49 85.86 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.17 0.588 . . . . 41.45 111.105 -178.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -62.52 -53.57 52.76 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 123.902 0.751 . . . . 71.24 110.623 175.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . 0.486 ' HA ' ' HB3' ' A' 1008 ' ' TRP . 36.4 mt -67.77 -27.83 67.09 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 112.637 0.606 . . . . 73.02 112.637 -176.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1006 ' ' THR . . . . . 0.689 ' HB ' ' HA ' ' A' ' 102' ' ' SER . 40.8 p -76.16 -45.17 34.72 Favored 'General case' 0 C--O 1.25 1.088 0 CA-C-N 118.547 0.612 . . . . 74.13 110.23 178.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1007 ' ' ARG . . . . . 0.413 ' HA ' HG22 ' A' 1010 ' ' THR . 46.9 ttt85 -65.09 -30.69 71.66 Favored 'General case' 0 CA--C 1.555 1.136 0 CA-C-O 121.417 0.627 . . . . 72.44 110.001 174.024 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1008 ' ' TRP . . . . . 0.536 ' O ' ' HG ' ' A' 1012 ' ' LEU . 3.3 t-105 -65.63 -48.73 71.23 Favored 'General case' 0 C--O 1.218 -0.593 0 C-N-CA 124.658 1.183 . . . . 74.5 109.879 174.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1009 ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' 1005 ' ' LEU . 65.5 mt -63.44 -34.62 78.14 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 118.025 0.375 . . . . 71.32 111.22 -179.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . 0.471 ' HB ' ' OG ' ' A' ' 102' ' ' SER . 13.0 t -79.31 -25.68 42.35 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-N 117.972 0.351 . . . . 74.13 111.521 176.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -71.63 -35.98 70.59 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 110.051 -0.351 . . . . 62.21 110.051 174.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1012 ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' 1008 ' ' TRP . 27.0 mt -72.46 -36.89 68.6 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.751 0.82 . . . . 71.13 110.024 176.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 20.9 t70 -67.92 -40.91 83.29 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.978 0.911 . . . . 64.14 110.576 178.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 54.9 t30 -68.48 -41.45 80.08 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.709 0.804 . . . . 61.22 110.067 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 35.4 t80 -57.16 -58.8 6.61 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 123.401 0.681 . . . . 74.54 110.09 173.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -52.49 -44.69 65.8 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 124.52 1.138 . . . . 72.3 111.446 -178.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -61.24 -61.22 2.71 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 123.974 0.797 . . . . 60.31 111.02 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -59.33 -39.87 84.52 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.422 0.689 . . . . 64.35 111.693 -176.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1019 ' ' MET . . . . . 0.64 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.3 OUTLIER -81.11 -27.19 35.68 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.092 -0.504 . . . . 55.51 111.633 -171.586 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -75.57 -28.15 58.87 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 109.99 -0.374 . . . . 62.24 109.99 170.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 93.6 mt -81.4 -17.0 50.49 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 117.756 -1.116 . . . . 71.52 112.364 176.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1022 ' ' LEU . . . . . 0.64 ' HG ' ' HA ' ' A' 1019 ' ' MET . 36.7 mt -41.31 102.87 0.28 Allowed Pre-proline 0 N--CA 1.501 2.106 0 O-C-N 123.868 0.73 . . . . 71.23 111.593 174.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -88.53 43.07 0.72 Allowed 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 123.223 2.615 . . . . 72.14 110.706 -175.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -148.13 -53.58 0.19 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-N 114.883 -1.053 . . . . 74.52 110.39 -167.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1025 ' ' VAL . . . . . . . . . . . . . 11.9 t . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.068 -0.967 . . . . 73.41 109.074 -176.168 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ttt . . . . . 0 CA--C 1.551 0.984 0 CA-C-O 119.207 -0.425 . . . . 73.05 111.637 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.3 p -58.46 -52.32 66.12 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 118.43 0.559 . . . . 64.04 111.804 -176.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 m -63.3 -29.88 71.12 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.537 0.735 . . . . 72.41 111.399 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 44.5 m -67.8 -45.97 73.26 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.991 0.917 . . . . 62.14 110.923 176.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.4 t -62.03 -42.73 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.367 0.667 . . . . 75.44 109.674 177.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -57.77 -57.67 11.73 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 123.868 0.73 . . . . 74.44 110.389 176.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -54.97 -58.56 7.14 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 124.39 1.076 . . . . 74.43 111.455 -173.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.512 HD11 HG12 ' A' ' 60' ' ' ILE . 76.9 mt -63.73 -48.0 88.52 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.883 0 C-N-CA 124.169 0.988 . . . . 45.45 111.826 -176.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.5 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 21.6 m-80 -69.19 -38.73 78.8 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 118.734 -0.65 . . . . 75.43 111.376 -176.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.506 ' HD3' HG23 ' A' ' 46' ' ' THR . 98.0 mtt180 -62.66 -48.65 78.4 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 122.661 0.384 . . . . 70.34 110.084 178.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 52.0 m95 -56.51 -39.36 73.18 Favored 'General case' 0 N--CA 1.484 1.232 0 O-C-N 123.911 0.757 . . . . 70.11 111.048 175.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -62.92 -42.07 99.68 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.367 0.667 . . . . 73.53 111.424 175.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.5 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 27.8 mmt180 -61.3 -45.66 93.55 Favored 'General case' 0 C--N 1.36 1.05 0 N-CA-C 109.36 -0.607 . . . . 71.21 109.36 -179.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 10' ' ' ARG . 51.2 mt -65.91 -36.12 76.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 O-C-N 124.063 0.852 . . . . 72.24 110.757 -178.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.47 -49.24 74.4 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.233 0.613 . . . . 72.33 111.414 177.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.425 ' HA ' HE21 ' A' ' 19' ' ' GLN . 92.1 mt -69.06 -40.65 78.37 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 115.118 -0.947 . . . . 74.24 110.525 -178.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.6 mt -65.28 -45.62 83.75 Favored 'General case' 0 C--O 1.212 -0.886 0 C-N-CA 123.716 0.806 . . . . 65.15 109.984 178.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.9 p -65.17 -41.81 94.31 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 123.248 0.343 . . . . 63.51 111.118 -176.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.482 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 27.5 pt20 -72.22 -34.19 68.14 Favored 'General case' 0 C--N 1.358 0.964 0 O-C-N 123.318 0.386 . . . . 75.34 111.393 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.526 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 73.2 m -65.8 -54.89 20.88 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 109.927 -0.397 . . . . 73.52 109.927 176.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.616 ' HA ' HD12 ' A' ' 24' ' ' LEU . 90.5 mt -55.83 -33.13 64.19 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.905 1.282 . . . . 74.53 111.147 177.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' A' ' 74' ' ' ASN . 52.8 tp -64.05 -52.43 59.42 Favored 'General case' 0 C--N 1.346 0.425 0 O-C-N 123.951 0.782 . . . . 60.34 110.614 175.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 19' ' ' GLN . 19.9 mm-40 -57.18 -42.23 80.77 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 124.022 0.826 . . . . 74.45 111.268 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.616 HD12 ' HA ' ' A' ' 21' ' ' LEU . 41.7 mt -62.36 -46.25 89.5 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 114.452 -1.249 . . . . 33.01 110.319 178.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.476 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -65.93 -36.92 84.7 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.872 0.869 . . . . 62.24 111.342 -178.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -65.34 -37.23 86.45 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 115.498 -0.774 . . . . 62.21 110.466 176.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -88.94 -13.64 38.54 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 112.784 0.661 . . . . 74.51 112.784 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.58 12.76 56.65 Favored Glycine 0 C--N 1.351 1.384 0 N-CA-C 115.119 0.808 . . . . 63.12 115.119 176.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -76.68 77.08 3.33 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 117.8 0.8 . . . . 62.33 110.477 171.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.428 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 26.7 m95 -72.2 -29.32 63.85 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.463 0.705 . . . . 73.1 111.001 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -55.86 -46.04 78.34 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.716 1.206 . . . . 62.31 111.556 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.448 HD12 HD22 ' A' ' 24' ' ' LEU . 83.3 mt -73.25 -21.19 60.68 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.116 -0.947 . . . . 73.24 111.32 -179.013 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.573 ' HA ' HD22 ' A' ' 21' ' ' LEU . 11.2 mp -68.81 -45.52 71.02 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 109.48 -0.563 . . . . 72.44 109.48 169.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.48 HD22 ' HD3' ' A' 1004 ' ' ARG . 47.9 mt -67.61 -31.9 72.25 Favored 'General case' 0 N--CA 1.483 1.199 0 O-C-N 124.111 0.882 . . . . 60.31 111.246 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -72.86 -55.44 6.66 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.497 0.719 . . . . 74.45 110.568 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.567 ' HB2' HD21 ' A' ' 21' ' ' LEU . 14.7 mt-30 -79.83 -8.99 59.6 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.209 1.004 . . . . 74.32 112.028 -177.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -44.27 -53.61 6.5 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 125.41 1.484 . . . . 74.11 112.158 173.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.7 m -60.11 -42.66 90.75 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 O-C-N 123.854 0.721 . . . . 74.41 111.508 -177.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.9 m -67.2 -44.93 78.37 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.829 0.852 . . . . 74.4 111.099 -178.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -65.99 -50.77 63.12 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.219 1.007 . . . . 72.21 111.39 -176.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.8 mt -68.0 -35.82 78.96 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 123.826 0.704 . . . . 51.53 111.031 -178.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -62.14 -44.57 96.34 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.932 0.493 . . . . 72.32 110.944 174.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.6 m -62.05 -41.94 98.66 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.188 0.595 . . . . 60.51 110.797 177.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.428 HG23 ' CD2' ' A' 1015 ' ' PHE . 16.4 mt -58.4 -53.5 45.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.371 1.069 . . . . 75.41 111.314 178.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.26 -37.24 77.83 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 116.424 -0.353 . . . . 74.04 111.114 -174.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.506 HG23 ' HD3' ' A' ' 10' ' ' ARG . 6.3 t -72.99 -34.19 66.27 Favored 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 111.546 0.202 . . . . 71.15 111.546 -177.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.2 p -78.26 -36.88 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 O-C-N 122.035 -0.416 . . . . 74.42 110.817 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 56.9 ttm -68.13 -32.04 72.04 Favored 'General case' 0 C--N 1.358 0.954 0 N-CA-C 109.482 -0.562 . . . . 74.2 109.482 177.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -61.77 -33.81 74.74 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.329 0.652 . . . . 62.33 111.033 173.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.7 tppt? -107.6 76.99 1.1 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.077 0.551 . . . . 74.44 109.812 -176.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -88.1 147.16 25.06 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 109.66 -0.496 . . . . 71.41 109.66 176.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 30.8 p -99.99 141.18 22.27 Favored Pre-proline 0 N--CA 1.473 0.688 0 C-N-CA 123.225 0.61 . . . . 72.25 109.913 177.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -50.2 154.5 5.63 Favored 'Trans proline' 0 C--N 1.384 2.441 0 C-N-CA 122.899 2.399 . . . . 74.41 114.279 177.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.542 ' HA ' ' HB3' ' A' 1024 ' ' ALA . 33.2 Cg_exo -39.85 -46.37 3.75 Favored 'Trans proline' 0 C--N 1.384 2.422 0 C-N-CA 124.859 3.706 . . . . 63.2 114.625 174.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -72.18 73.65 0.88 Allowed Glycine 0 C--N 1.346 1.137 0 O-C-N 124.012 0.82 . . . . 64.02 112.725 175.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.8 tp -102.74 143.03 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 123.93 0.892 . . . . 61.34 108.699 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 82.0 p -70.41 142.38 52.05 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.358 0.663 . . . . 71.01 109.835 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.76 -39.5 52.37 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.021 0.928 . . . . 74.34 111.674 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.8 m -58.05 -58.64 7.54 Favored 'General case' 0 C--O 1.249 1.075 0 O-C-N 123.533 0.521 . . . . 41.21 111.369 -177.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.512 HG12 HD11 ' A' ' 8' ' ' ILE . 65.8 mt -63.86 -48.05 88.01 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 CA-C-N 115.179 -0.919 . . . . 72.14 109.446 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.91 -49.24 40.92 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.381 1.472 . . . . 73.01 111.241 178.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -74.9 -48.11 26.46 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.835 0.854 . . . . 63.12 111.056 -171.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 77.7 mtm -60.94 -49.06 78.97 Favored 'General case' 0 N--CA 1.482 1.151 0 O-C-N 123.575 0.547 . . . . 71.43 110.612 178.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.7 t -62.54 -39.36 84.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 124.118 0.967 . . . . 62.12 111.131 177.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.02 -30.63 71.62 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 122.74 0.416 . . . . 62.24 110.88 177.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.96 -42.03 79.62 Favored Glycine 0 C--N 1.353 1.501 0 O-C-N 124.063 0.852 . . . . 74.03 111.899 173.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -70.25 -28.7 65.45 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.113 0.565 . . . . 72.12 111.245 176.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.49 ' HA ' HG22 ' A' ' 71' ' ' THR . 26.6 mt -75.58 -38.91 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 124.901 1.281 . . . . 62.11 109.708 177.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -61.71 -45.86 92.16 Favored 'General case' 0 C--O 1.248 0.999 0 N-CA-C 109.148 -0.686 . . . . 64.51 109.148 176.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -61.06 -60.23 4.11 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 114.278 -1.328 . . . . 25.55 110.55 177.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.49 HG22 ' HA ' ' A' ' 68' ' ' ILE . 15.1 t -62.73 -38.99 92.7 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-O 119.194 -0.431 . . . . 74.25 112.138 -171.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.568 HD22 ' HG3' ' A' 1016 ' ' GLU . 44.8 mt -68.79 -42.34 77.51 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 111.998 0.37 . . . . 54.01 111.998 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -70.28 -46.59 64.03 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 120.786 0.327 . . . . 72.3 110.788 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.458 ' ND2' ' HB3' ' A' ' 19' ' ' GLN . 90.7 m-20 -63.34 -42.84 98.98 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.519 1.128 . . . . 73.44 111.192 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.634 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 35.0 tt0 -75.18 -32.73 61.33 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 123.816 0.697 . . . . 65.44 110.756 -178.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -62.38 -42.6 99.54 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 108.98 -0.748 . . . . 73.41 108.98 175.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.4 mt -69.7 -34.73 74.32 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 115.013 -0.994 . . . . 74.4 111.368 174.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.634 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 5.6 mt -62.33 -64.61 0.88 Allowed 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.681 0.793 . . . . 70.42 109.864 177.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.476 ' O ' ' HB2' ' A' ' 83' ' ' GLN . 60.5 pttt -66.07 -29.88 70.3 Favored 'General case' 0 C--O 1.22 -0.495 0 O-C-N 124.044 0.84 . . . . 73.24 111.725 -176.23 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.29 -59.8 8.89 Favored Glycine 0 C--N 1.356 1.644 0 N-CA-C 111.506 -0.637 . . . . 52.42 111.506 174.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.476 HD22 ' HB1' ' A' ' 25' ' ' ALA . 6.8 tt -53.69 -51.42 63.28 Favored 'General case' 0 C--N 1.349 0.576 0 C-N-CA 124.021 0.928 . . . . 72.21 110.663 177.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.45 HD13 ' HE1' ' A' 1008 ' ' TRP . 28.9 mt -65.44 -32.02 73.42 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.647 1.179 . . . . 73.2 112.554 -175.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.476 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 0.4 OUTLIER -66.06 -48.43 71.07 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 107.57 -1.27 . . . . 75.2 107.57 176.625 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -61.39 -38.95 88.91 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 124.348 1.03 . . . . 73.51 111.494 177.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -69.62 -39.99 76.87 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-N 115.227 -0.897 . . . . 74.53 110.793 -177.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.536 HD11 ' HB3' ' A' 1005 ' ' LEU . 88.3 mt -74.73 -26.11 59.57 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 119.082 -0.485 . . . . 42.53 110.859 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -59.57 -51.69 68.77 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 108.517 -0.92 . . . . 74.22 108.517 168.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.514 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 11.6 tp10 -59.37 -60.11 4.38 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 124.792 1.307 . . . . 65.31 110.616 -178.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 95.8 mt -53.7 -41.91 67.46 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.345 1.458 . . . . 54.21 112.162 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 75.2 m -61.8 -47.58 84.46 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 110.253 -0.277 . . . . 75.31 110.253 174.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.7 m -64.49 -23.71 67.37 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.919 0.488 . . . . 70.43 112.176 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 47.0 mt -79.7 -52.9 7.36 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-O 121.562 0.696 . . . . 74.14 110.484 175.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.587 HD13 HD12 ' A' ' 113' ' ' ILE . 73.5 mt -89.4 -57.63 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-N 114.642 -1.163 . . . . 72.12 112.059 -165.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -134.26 71.96 0.48 Allowed Glycine 0 C--N 1.346 1.1 0 N-CA-C 110.386 -1.085 . . . . 72.4 110.386 -177.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -68.85 84.64 0.31 Allowed 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.464 1.106 . . . . 73.21 110.465 -174.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 99.4 t -108.07 -51.44 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.271 1.028 . . . . 74.13 108.752 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.439 HD13 ' N ' ' A' ' 98' ' ' PHE . 1.3 tm? -164.43 162.6 22.12 Favored 'General case' 0 C--O 1.245 0.838 0 N-CA-C 107.928 -1.138 . . . . 72.13 107.928 -175.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.439 ' N ' HD13 ' A' ' 97' ' ' LEU . 59.3 m-85 -60.72 152.17 27.45 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.801 0.841 . . . . 62.1 110.405 173.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.505 HE21 HG22 ' A' 1006 ' ' THR . 25.4 tm0? -60.4 104.04 0.29 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.024 0.53 . . . . 65.52 110.867 -177.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -88.0 166.88 35.77 Favored Glycine 0 CA--C 1.529 0.915 0 CA-C-O 118.738 -1.034 . . . . 63.43 111.011 167.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -54.44 -34.87 83.15 Favored 'Trans proline' 0 C--N 1.375 1.956 0 C-N-CA 123.131 2.554 . . . . 63.03 112.334 -178.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.3 t -155.56 126.08 6.83 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.354 1.062 . . . . 43.05 108.285 174.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -165.19 164.55 20.11 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.365 0.666 . . . . 73.23 109.838 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -77.42 73.21 2.06 Favored Glycine 0 C--N 1.347 1.159 0 N-CA-C 111.67 -0.572 . . . . 64.01 111.67 175.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 79.8 mt -118.35 132.98 56.25 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.712 1.205 . . . . 70.31 108.529 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 40.5 t 54.66 52.14 8.39 Favored Pre-proline 0 CA--C 1.577 2.016 0 O-C-N 124.364 1.04 . . . . 73.53 109.41 -169.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -84.91 -1.14 9.41 Favored 'Trans proline' 0 C--N 1.388 2.627 0 C-N-CA 123.169 2.579 . . . . 74.42 112.956 -169.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.684 ' HA ' ' HE ' ' A' ' 108' ' ' ARG . 0.1 OUTLIER -152.66 42.62 0.64 Allowed 'General case' 0 C--N 1.346 0.44 0 N-CA-C 107.839 -1.171 . . . . 72.22 107.839 173.707 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -71.44 84.38 0.44 Allowed Glycine 0 C--N 1.347 1.182 0 CA-C-N 114.469 -1.241 . . . . 75.21 112.959 -177.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 17.7 m 60.71 8.18 1.68 Allowed 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.726 1.21 . . . . 75.54 113.375 173.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 61.3 25.81 65.29 Favored Glycine 0 C--N 1.357 1.734 0 O-C-N 123.348 0.405 . . . . 63.43 113.087 -173.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -142.81 -65.63 0.02 OUTLIER Glycine 0 C--N 1.353 1.517 0 CA-C-N 116.936 0.368 . . . . 61.34 112.349 -172.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.587 HD12 HD13 ' A' ' 93' ' ' ILE . 18.7 pt -64.82 -14.56 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 C-N-CA 123.777 0.831 . . . . 73.34 112.822 -176.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -49.82 -37.62 31.28 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.286 1.034 . . . . 63.31 111.654 172.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -64.17 -40.89 98.45 Favored Glycine 0 C--N 1.355 1.609 0 O-C-N 123.837 0.711 . . . . 42.23 112.819 177.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 48.3 ttp -66.9 -42.09 86.07 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.094 0.958 . . . . 64.25 111.034 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 30.5 p -69.9 -41.83 74.2 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.367 0.267 . . . . 71.51 110.882 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 51.6 m -56.8 -47.79 79.41 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.396 0.678 . . . . 61.1 110.82 173.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1004 ' ' ARG . . . . . 0.48 ' HD3' HD22 ' A' ' 34' ' ' LEU . 60.9 mtt-85 -52.71 -60.5 3.18 Favored 'General case' 0 C--N 1.354 0.799 0 O-C-N 124.473 1.108 . . . . 71.44 110.643 175.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . 0.59 ' HA ' ' HB3' ' A' 1008 ' ' TRP . 59.7 mt -68.08 -28.71 67.59 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 124.353 1.033 . . . . 63.33 112.89 -171.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1006 ' ' THR . . . . . 0.505 HG22 HE21 ' A' ' 99' ' ' GLN . 41.4 p -71.93 -45.79 59.88 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 118.535 0.607 . . . . 73.32 109.791 175.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -66.19 -27.85 68.31 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 122.903 0.481 . . . . 74.04 111.598 174.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1008 ' ' TRP . . . . . 0.59 ' HB3' ' HA ' ' A' 1005 ' ' LEU . 4.4 t-105 -71.98 -45.26 61.67 Favored 'General case' 0 C--O 1.217 -0.61 0 C-N-CA 125.039 1.335 . . . . 74.12 109.757 179.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1009 ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' 1005 ' ' LEU . 72.6 mt -70.81 -32.79 69.98 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 109.505 -0.554 . . . . 55.1 109.505 -178.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 52.5 m -59.67 -48.53 81.29 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 114.334 -1.303 . . . . 71.35 110.18 170.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -70.31 -30.92 68.02 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.697 0.799 . . . . 72.33 111.82 -178.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1012 ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' 1008 ' ' TRP . 18.1 mt -71.07 -54.63 10.47 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.674 0.609 . . . . 71.33 109.755 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 11.5 t70 -63.4 -32.63 74.11 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 115.854 -0.612 . . . . 74.52 110.542 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 5.7 t30 -60.74 -47.99 83.8 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.353 1.061 . . . . 70.42 110.563 172.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1015 ' ' PHE . . . . . 0.428 ' CD2' HG23 ' A' ' 44' ' ' ILE . 38.5 t80 -60.6 -58.63 7.66 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 123.848 0.717 . . . . 73.03 110.187 178.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1016 ' ' GLU . . . . . 0.568 ' HG3' HD22 ' A' ' 72' ' ' LEU . 33.5 tt0 -51.2 -49.77 60.35 Favored 'General case' 0 C--N 1.354 0.777 0 O-C-N 124.646 1.216 . . . . 54.03 112.233 -178.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1017 ' ' ALA . . . . . 0.441 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -61.52 -57.99 9.91 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 123.96 0.788 . . . . 70.41 111.025 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -64.4 -30.23 71.27 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 115.762 -0.654 . . . . 50.2 112.163 -175.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1019 ' ' MET . . . . . 0.592 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.8 OUTLIER -84.61 -22.01 30.13 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 120.572 0.225 . . . . 62.44 111.007 -178.161 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -71.78 -27.82 63.21 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.931 0.492 . . . . 54.45 109.998 166.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1021 ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' 1017 ' ' ALA . 85.8 mt -80.5 -24.21 39.57 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.557 0.743 . . . . 43.25 111.752 175.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1022 ' ' LEU . . . . . 0.592 ' HG ' ' HA ' ' A' 1019 ' ' MET . 30.9 mt -49.22 112.59 2.59 Favored Pre-proline 0 N--CA 1.499 1.993 0 C-N-CA 123.499 0.72 . . . . 72.22 111.831 175.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -78.27 90.92 1.22 Allowed 'Trans proline' 0 C--N 1.376 2.005 0 C-N-CA 123.171 2.581 . . . . 63.43 111.851 -172.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . 0.542 ' HB3' ' HA ' ' A' ' 54' ' ' PRO . . . 65.89 36.48 5.99 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.377 1.071 . . . . 75.34 110.168 -170.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1025 ' ' VAL . . . . . 0.52 ' HA ' ' HB3' ' A' 1022 ' ' LEU . 4.0 t . . . . . 0 C--O 1.25 1.132 0 C-N-CA 126.643 1.977 . . . . 61.52 110.35 178.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.48 1.056 0 CA-C-O 119.537 -0.268 . . . . 72.14 111.039 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.9 p -55.93 -45.66 78.7 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.91 0.484 . . . . 64.24 111.51 -177.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.3 p -53.65 -48.33 69.51 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.955 0.902 . . . . 73.44 111.291 174.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 75.9 m -64.12 -54.25 36.76 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.791 1.236 . . . . 64.05 112.631 -177.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.0 p -65.6 -39.8 86.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 123.089 0.556 . . . . 73.51 110.342 -174.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -64.18 -42.3 96.75 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 110.158 -0.312 . . . . 73.03 110.158 175.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.455 ' HZ ' HG21 ' A' 1025 ' ' VAL . 20.5 t80 -55.6 -51.88 65.67 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 123.779 0.832 . . . . 74.44 110.636 178.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 72.3 mt -63.63 -46.27 95.27 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.996 0 C-N-CA 124.546 1.138 . . . . 62.2 111.347 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -70.22 -36.77 74.77 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.376 0.671 . . . . 63.02 112.038 -175.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.513 ' O ' HG13 ' A' ' 14' ' ' ILE . 69.0 mtt180 -69.47 -46.34 66.88 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 109.075 -0.713 . . . . 63.45 109.075 178.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 30.4 m95 -58.17 -40.63 81.96 Favored 'General case' 0 N--CA 1.483 1.193 0 O-C-N 123.911 0.757 . . . . 73.44 111.603 174.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -64.38 -42.31 96.22 Favored 'General case' 0 C--N 1.35 0.598 0 O-C-N 123.735 0.647 . . . . 64.4 110.125 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.9 ttm-85 -61.8 -43.0 99.71 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 124.071 0.857 . . . . 75.55 110.259 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 10' ' ' ARG . 62.0 mt -65.23 -39.97 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 O-C-N 123.749 0.655 . . . . 60.34 110.628 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.09 -47.5 79.83 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.678 0.791 . . . . 74.22 111.005 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.59 -45.34 87.36 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.893 0.877 . . . . 75.14 110.647 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 51.1 mt -62.15 -47.85 82.71 Favored 'General case' 0 C--O 1.21 -0.999 0 O-C-N 124.044 0.84 . . . . 75.12 110.552 178.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.7 t -62.76 -40.8 98.39 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 123.827 0.704 . . . . 74.54 110.679 -175.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -64.76 -49.95 68.73 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 124.045 0.84 . . . . 62.24 110.689 178.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.483 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 55.9 m -54.68 -50.72 67.56 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 124.402 1.064 . . . . 70.22 110.61 176.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.564 HD23 HD12 ' A' ' 24' ' ' LEU . 95.4 mt -66.47 -32.33 73.62 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 124.413 1.085 . . . . 65.23 111.096 -176.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.507 HD22 ' HA ' ' A' ' 74' ' ' ASN . 58.6 tp -64.83 -48.8 73.06 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 109.715 -0.476 . . . . 71.34 109.715 176.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -57.02 -48.27 78.89 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 124.219 0.95 . . . . 70.33 109.858 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.616 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 92.8 mt -54.2 -44.64 71.8 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.61 0.764 . . . . 71.32 111.208 177.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.602 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -63.98 -35.61 81.25 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.471 0.708 . . . . 61.13 111.569 179.169 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 80.8 mm-40 -67.45 -32.24 72.95 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 123.162 0.585 . . . . 74.43 111.57 175.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.412 HH11 ' HB2' ' A' ' 26' ' ' GLN . 11.0 mpt_? -86.54 -22.23 26.46 Favored 'General case' 0 N--CA 1.497 1.896 0 C-N-CA 122.811 0.444 . . . . 71.3 111.621 177.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.75 32.16 10.42 Favored Glycine 0 N--CA 1.467 0.725 0 N-CA-C 113.323 0.089 . . . . 71.3 113.323 -176.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.616 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 10.1 mm-40 -83.85 63.68 7.66 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.289 1.036 . . . . 65.31 109.572 175.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 31.2 m95 -62.6 -32.65 73.7 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.03 0.932 . . . . 74.14 110.567 -175.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -62.59 -53.45 54.47 Favored 'General case' 0 C--O 1.246 0.885 0 C-N-CA 124.381 1.072 . . . . 75.44 110.54 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 78.5 mt -64.36 -28.12 69.48 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 116.025 -0.534 . . . . 72.21 110.822 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.7 mt -66.52 -49.44 66.52 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 122.908 0.483 . . . . 72.52 110.622 173.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.8 mt -65.3 -31.96 73.37 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.767 0.827 . . . . 71.51 112.155 -177.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -74.3 -57.06 4.19 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 123.336 0.654 . . . . 73.51 110.264 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -74.9 -10.81 59.84 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.296 1.039 . . . . 73.35 112.599 -177.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -47.94 -46.27 31.96 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.655 1.182 . . . . 74.03 110.805 169.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.8 t -62.05 -45.98 97.51 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.014 0 CA-C-N 115.356 -0.838 . . . . 72.21 110.633 178.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.2 m -61.48 -45.34 94.67 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.529 0.732 . . . . 73.23 111.748 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -68.0 -49.37 61.99 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.987 0.915 . . . . 63.15 111.424 -175.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.9 mt -68.48 -26.96 65.74 Favored 'General case' 0 CA--C 1.553 1.072 0 O-C-N 123.744 0.652 . . . . 73.43 110.7 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -66.7 -45.27 79.29 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.998 0.519 . . . . 72.24 110.674 171.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.0 m -63.25 -38.87 92.87 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 116.085 -0.507 . . . . 72.41 110.658 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.433 HG23 ' CD2' ' A' 1015 ' ' PHE . 43.5 mt -60.81 -55.26 25.8 Favored 'Isoleucine or valine' 0 C--O 1.252 1.216 0 C-N-CA 124.487 1.115 . . . . 72.31 111.198 176.299 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -63.28 -36.19 82.84 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 116.325 -0.398 . . . . 75.15 110.727 -175.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.2 t -77.88 -27.28 49.65 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-O 119.384 -0.341 . . . . 61.02 111.405 -177.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.417 HG23 ' HB2' ' A' ' 10' ' ' ARG . 1.5 p -75.76 -34.36 28.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 CA-C-N 118.956 0.798 . . . . 75.13 110.616 175.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 35.3 ttm -79.12 -21.63 46.3 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 121.181 0.515 . . . . 75.24 109.764 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -65.7 -33.48 75.98 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.916 1.286 . . . . 73.52 110.667 167.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.6 tpmt? -75.64 108.03 8.2 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.685 0.794 . . . . 64.23 110.434 -177.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -71.84 117.96 14.09 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.97 0.908 . . . . 75.44 109.263 173.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.3 m -67.37 128.88 93.76 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 123.895 0.878 . . . . 61.54 109.766 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.06 153.08 80.05 Favored 'Trans proline' 0 C--N 1.376 1.987 0 C-N-CA 121.523 1.482 . . . . 62.42 111.007 174.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.59 -47.1 20.27 Favored 'Trans proline' 0 C--N 1.375 1.946 0 C-N-CA 122.716 2.277 . . . . 55.41 111.946 177.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -70.48 86.6 0.34 Allowed Glycine 0 C--N 1.351 1.375 0 O-C-N 123.67 0.606 . . . . 74.52 112.451 177.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.9 tp -107.07 105.18 18.3 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.863 0 C-N-CA 124.754 1.221 . . . . 65.45 108.601 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.0 t -87.46 166.08 15.06 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.996 0.519 . . . . 73.34 110.744 -178.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 64.9 mmt-85 -68.85 -23.53 64.25 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.918 0.887 . . . . 75.5 112.205 -167.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.4 m -67.11 -53.96 25.86 Favored 'General case' 0 C--O 1.248 0.989 0 C-N-CA 123.275 0.63 . . . . 70.55 109.962 176.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 22.7 mt -60.76 -44.9 98.37 Favored 'Isoleucine or valine' 0 C--N 1.356 0.885 0 CA-C-N 114.937 -1.029 . . . . 74.24 109.179 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -62.46 -41.23 98.62 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 124.289 0.993 . . . . 71.4 111.277 -177.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -64.4 -52.7 56.88 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 123.414 0.446 . . . . 51.4 110.186 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 72.9 mtm -60.41 -51.33 69.94 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 124.03 0.831 . . . . 54.44 111.25 -177.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 37.5 t -62.85 -48.98 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 124.182 0.993 . . . . 62.01 111.372 -177.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.94 -29.33 70.71 Favored 'General case' 0 N--CA 1.482 1.147 0 O-C-N 123.536 0.523 . . . . 62.45 111.009 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.25 -46.81 89.83 Favored Glycine 0 C--N 1.348 1.229 0 O-C-N 123.969 0.793 . . . . 73.31 111.732 173.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -69.83 -30.29 67.75 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.598 0.759 . . . . 71.02 110.758 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.483 HG23 ' HE1' ' A' 1019 ' ' MET . 16.1 mt -64.76 -56.02 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 124.956 1.302 . . . . 63.3 109.838 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -69.84 -31.33 69.14 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 123.411 0.445 . . . . 74.22 110.824 -178.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -59.34 -59.3 5.68 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 123.951 0.782 . . . . 74.53 109.43 174.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.495 ' OG1' HG22 ' A' ' 14' ' ' ILE . 14.0 t -66.37 -43.97 84.45 Favored 'General case' 0 C--O 1.213 -0.839 0 CA-C-O 118.687 -0.673 . . . . 64.53 111.346 -173.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.462 HD21 ' SD ' ' A' 1019 ' ' MET . 90.1 mt -63.52 -34.14 77.13 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.124 0.57 . . . . 73.04 111.593 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -66.57 -55.8 13.73 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.06 0.225 . . . . 71.52 110.657 175.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.507 ' HA ' HD22 ' A' ' 22' ' ' LEU . 67.1 m-80 -61.74 -33.95 74.96 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 123.438 0.461 . . . . 64.21 111.112 -177.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.45 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 39.3 tt0 -78.36 -32.87 49.2 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.436 1.094 . . . . 71.31 111.442 -177.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -66.95 -43.39 83.29 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 109.322 -0.622 . . . . 70.54 109.322 174.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 34.0 mt -65.91 -38.6 89.11 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-N 115.936 -0.575 . . . . 73.53 110.847 174.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.45 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 16.4 mt -59.24 -44.62 92.35 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.626 0.77 . . . . 42.24 110.3 172.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.47 ' HA ' HD22 ' A' 1009 ' ' LEU . 38.7 ttmt -66.07 -44.89 83.18 Favored 'General case' 0 C--O 1.218 -0.601 0 O-C-N 123.768 0.668 . . . . 74.12 110.201 -173.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.76 -45.54 74.55 Favored Glycine 0 C--N 1.352 1.423 0 O-C-N 123.946 0.779 . . . . 52.13 112.935 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.602 HD22 ' HB1' ' A' ' 25' ' ' ALA . 10.1 tt -64.7 -48.14 75.76 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.525 0.73 . . . . 72.52 110.527 -178.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.2 mt -74.57 -23.17 58.72 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.894 0.877 . . . . 75.22 111.504 -178.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 1.0 OUTLIER -67.51 -50.76 57.37 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 108.074 -1.084 . . . . 64.44 108.074 172.758 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -65.86 -31.41 72.34 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 124.147 0.905 . . . . 61.12 110.902 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -64.37 -54.77 27.64 Favored 'General case' 0 C--N 1.352 0.683 0 N-CA-C 109.316 -0.624 . . . . 74.52 109.316 176.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.509 HD11 ' HB3' ' A' 1005 ' ' LEU . 90.7 mt -64.47 -33.02 74.92 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 123.674 0.609 . . . . 54.51 111.474 179.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -63.53 -47.23 82.49 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.737 0.815 . . . . 65.13 110.125 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.536 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 36.9 tt0 -64.04 -56.9 11.66 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 115.153 -0.93 . . . . 71.44 109.844 177.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 96.3 mt -50.99 -40.81 58.85 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 124.393 1.077 . . . . 64.12 111.844 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.3 m -61.29 -49.52 76.72 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 124.028 0.83 . . . . 72.34 109.99 175.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.6 t -65.71 -24.16 66.92 Favored 'General case' 0 CA--C 1.557 1.233 0 O-C-N 124.125 0.891 . . . . 74.0 112.166 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 69.8 mt -81.41 -49.86 10.15 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 122.929 0.492 . . . . 73.44 110.365 -179.314 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 93.4 mt -69.68 -42.82 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 124.401 1.08 . . . . 74.21 110.804 -177.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -150.34 102.44 0.23 Allowed Glycine 0 C--N 1.339 0.709 0 N-CA-C 110.24 -1.144 . . . . 33.24 110.24 177.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -51.99 -33.51 38.5 Favored 'General case' 0 N--CA 1.496 1.847 0 C-N-CA 124.548 1.139 . . . . 71.1 111.397 -172.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.1 p -159.75 75.91 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.555 1.145 0 CA-C-N 114.445 -1.252 . . . . 53.25 109.005 174.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -73.86 -46.37 45.25 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 107.75 -1.204 . . . . 61.3 107.75 174.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -111.13 153.98 24.95 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.067 0.947 . . . . 74.53 108.613 172.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -72.36 148.01 45.71 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.297 0.639 . . . . 72.34 110.521 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 77.39 -163.69 51.92 Favored Glycine 0 C--N 1.345 1.041 0 O-C-N 123.383 0.427 . . . . 62.11 113.845 173.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -85.69 36.96 0.54 Allowed 'Trans proline' 0 C--N 1.366 1.47 0 C-N-CA 123.548 2.832 . . . . 73.33 113.837 -175.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.6 m -64.45 107.96 1.51 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.258 0.623 . . . . 61.01 110.674 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.99 84.07 0.97 Allowed 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 121.393 0.616 . . . . 51.22 109.415 175.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 145.98 50.19 0.03 OUTLIER Glycine 0 C--N 1.343 0.926 0 CA-C-N 114.894 -1.048 . . . . 62.34 111.165 -174.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 64.8 mt -80.85 60.0 3.93 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.223 1.009 . . . . 72.42 109.875 177.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 27.4 m -136.81 133.97 19.08 Favored Pre-proline 0 CA--C 1.546 0.802 0 N-CA-C 107.533 -1.284 . . . . 72.0 107.533 -177.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -84.85 145.9 10.24 Favored 'Trans proline' 0 C--N 1.361 1.194 0 C-N-CA 121.823 1.682 . . . . 72.41 111.309 174.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.81 175.45 7.25 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 122.561 0.344 . . . . 65.31 110.921 176.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.43 2.49 84.46 Favored Glycine 0 CA--C 1.531 1.039 0 CA-C-N 116.345 -0.389 . . . . 62.41 113.344 -176.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 40.2 p -90.72 -155.53 0.39 Allowed 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 123.88 0.872 . . . . 73.1 109.742 177.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -152.6 139.26 6.87 Favored Glycine 0 C--N 1.353 1.524 0 CA-C-N 118.346 0.521 . . . . 73.33 113.416 -177.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 81.04 -66.86 3.7 Favored Glycine 0 C--N 1.35 1.354 0 C-N-CA 123.241 0.448 . . . . 50.4 112.665 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.405 HG13 ' N ' ' A' ' 114' ' ' GLU . 45.2 pt -57.09 -42.18 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.697 1.199 . . . . 52.51 111.858 -178.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.405 ' N ' HG13 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -73.02 -29.44 63.02 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.46 -0.791 . . . . 63.52 111.564 -174.458 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.65 -43.46 51.94 Favored Glycine 0 C--N 1.349 1.253 0 N-CA-C 111.591 -0.603 . . . . 70.24 111.591 177.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 46.4 ttp -58.57 -51.3 70.48 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.163 0.985 . . . . 74.53 110.638 176.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 40.1 p -66.91 -46.02 76.13 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 115.672 -0.694 . . . . 64.12 111.362 -178.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 48.8 m -56.69 -49.76 74.16 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 122.887 0.475 . . . . 61.52 111.356 179.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 60.8 mtt-85 -58.55 -54.9 41.84 Favored 'General case' 0 C--N 1.354 0.761 0 O-C-N 124.191 0.932 . . . . 75.32 110.693 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . 0.519 ' HA ' ' HB3' ' A' 1008 ' ' TRP . 63.2 mt -70.28 -29.34 66.08 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 124.048 0.842 . . . . 74.44 112.955 -173.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 41.3 p -72.51 -47.15 50.77 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 118.66 0.664 . . . . 54.13 109.836 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 48.6 ttt85 -60.0 -34.97 74.05 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.666 0.786 . . . . 74.4 110.501 173.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1008 ' ' TRP . . . . . 0.519 ' HB3' ' HA ' ' A' 1005 ' ' LEU . 1.0 OUTLIER -66.08 -48.58 70.52 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 124.815 1.246 . . . . 64.14 109.843 178.753 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1009 ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' 1005 ' ' LEU . 88.6 mt -68.13 -33.29 74.22 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 109.493 -0.558 . . . . 53.14 109.493 -176.159 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 95.3 m -60.77 -51.23 70.24 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.16 -1.382 . . . . 63.24 110.075 173.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -68.03 -29.31 68.27 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.612 0.765 . . . . 74.11 110.906 -178.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1012 ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' 1008 ' ' TRP . 20.0 mt -66.53 -43.92 83.86 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 109.305 -0.628 . . . . 71.32 109.305 175.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 19.6 t70 -72.59 -40.9 66.2 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 114.974 -1.012 . . . . 71.42 111.462 -175.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 18.1 m120 -72.24 -33.63 67.67 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.998 0.519 . . . . 40.23 110.556 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1015 ' ' PHE . . . . . 0.433 ' CD2' HG23 ' A' ' 44' ' ' ILE . 26.7 t80 -60.25 -60.46 3.78 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 109.004 -0.739 . . . . 73.3 109.004 170.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1016 ' ' GLU . . . . . 0.42 ' HG3' HD22 ' A' ' 72' ' ' LEU . 54.6 tt0 -50.28 -43.59 53.44 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 124.811 1.319 . . . . 75.44 112.088 -178.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1017 ' ' ALA . . . . . 0.434 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -62.94 -61.68 2.23 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.764 0.665 . . . . 63.13 110.711 179.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -62.27 -36.27 81.54 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.891 0.876 . . . . 74.31 112.536 -175.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1019 ' ' MET . . . . . 0.483 ' HE1' HG23 ' A' ' 68' ' ' ILE . 0.5 OUTLIER -79.8 -27.32 40.35 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 110.183 -0.303 . . . . 75.22 110.183 -176.075 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -72.77 -26.86 61.69 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 122.346 0.258 . . . . 70.43 110.614 167.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1021 ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' 1017 ' ' ALA . 95.2 mt -76.19 -19.9 58.0 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.34 0.656 . . . . 70.24 111.713 175.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1022 ' ' LEU . . . . . 0.472 ' HG ' ' HA ' ' A' 1019 ' ' MET . 94.4 mt -51.35 109.25 1.29 Allowed Pre-proline 0 N--CA 1.494 1.733 0 CA-C-O 119.317 -0.373 . . . . 73.44 110.526 169.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -90.58 30.54 0.36 Allowed 'Trans proline' 0 C--N 1.378 2.098 0 C-N-CA 123.081 2.521 . . . . 72.35 112.31 -175.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -128.1 -46.98 1.36 Allowed 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.121 0.968 . . . . 54.31 109.556 -175.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1025 ' ' VAL . . . . . 0.455 HG21 ' HZ ' ' A' ' 7' ' ' PHE . 17.0 m . . . . . 0 C--O 1.252 1.208 0 C-N-CA 124.421 1.088 . . . . 75.2 109.977 -177.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 ppp? . . . . . 0 N--CA 1.476 0.848 0 CA-C-O 119.612 -0.232 . . . . 63.31 111.472 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.2 p -66.05 -59.85 3.4 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.115 0.566 . . . . 71.44 111.39 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 m -64.59 -25.88 68.16 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.816 0.846 . . . . 71.44 110.971 179.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 87.3 m -63.96 -55.85 19.48 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.317 1.047 . . . . 51.3 110.488 175.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 71.9 t -59.36 -42.37 87.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 CA-C-N 115.883 -0.599 . . . . 73.42 110.242 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.574 ' HB3' HH11 ' A' ' 10' ' ' ARG . 44.8 mt-10 -56.51 -53.23 59.99 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.749 0.419 . . . . 72.01 111.214 176.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -62.56 -52.9 61.61 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.077 0.951 . . . . 74.14 110.967 -173.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.521 HD11 HG12 ' A' ' 60' ' ' ILE . 53.2 mt -69.73 -38.65 76.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 123.541 0.736 . . . . 72.42 111.356 -174.149 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -75.36 -26.57 58.64 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 122.787 0.435 . . . . 65.14 111.544 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.574 HH11 ' HB3' ' A' ' 6' ' ' GLU . 43.1 mtt85 -72.29 -47.11 52.51 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 119.191 -0.433 . . . . 65.42 109.937 172.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -60.08 -37.78 80.92 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 122.554 0.342 . . . . 71.1 111.115 174.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.442 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 4.7 tp-100 -56.19 -53.95 51.06 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.161 0.984 . . . . 53.31 109.405 174.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -59.21 -42.37 90.8 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 124.145 0.903 . . . . 65.21 111.274 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 10' ' ' ARG . 73.1 mt -66.11 -42.15 90.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 123.502 0.721 . . . . 74.43 110.456 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.17 -43.95 93.55 Favored 'General case' 0 C--O 1.245 0.853 0 C-N-CA 123.217 0.607 . . . . 71.25 111.023 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 91.5 mt -66.74 -47.19 73.03 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.145 -0.934 . . . . 62.41 110.578 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.7 mt -60.18 -50.91 71.81 Favored 'General case' 0 C--O 1.212 -0.912 0 C-N-CA 123.34 0.656 . . . . 62.33 110.056 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.5 t -60.33 -39.28 86.51 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.439 0.696 . . . . 63.02 111.187 -177.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.42 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 9.2 tt0 -64.33 -47.79 78.04 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.582 0.753 . . . . 73.23 110.824 177.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.471 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 68.0 m -60.49 -54.31 47.03 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 115.475 -0.784 . . . . 61.32 110.094 179.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.555 HD13 ' HH2' ' A' 1008 ' ' TRP . 83.9 mt -56.04 -34.35 65.81 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.247 1.419 . . . . 72.01 111.401 178.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.626 HD22 ' HA ' ' A' ' 74' ' ' ASN . 52.2 tp -63.89 -53.72 46.11 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 123.812 0.695 . . . . 64.35 110.211 177.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 19' ' ' GLN . 16.9 mm-40 -56.05 -43.22 77.69 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 124.15 0.906 . . . . 72.01 110.63 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.504 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 76.7 mt -60.93 -48.04 83.65 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-N 114.136 -1.393 . . . . 72.32 110.667 177.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.503 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -63.17 -38.34 90.8 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.504 0.722 . . . . 74.34 111.38 -178.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -66.54 -31.39 72.07 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.53 0.732 . . . . 73.45 110.419 177.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 65.8 mtp85 -95.43 -6.33 41.08 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 112.738 0.644 . . . . 75.12 112.738 177.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.36 27.97 41.85 Favored Glycine 0 CA--C 1.537 1.46 0 N-CA-C 115.218 0.847 . . . . 42.33 115.218 175.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.504 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 25.4 mm-40 -89.74 64.86 6.64 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.077 0.951 . . . . 74.32 110.461 178.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.412 ' HH2' HD21 ' A' ' 81' ' ' LEU . 32.1 m95 -63.35 -27.97 69.68 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.985 0.914 . . . . 72.12 112.105 -173.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.22 -45.92 91.55 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.295 1.038 . . . . 71.13 110.93 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.485 HD12 HD22 ' A' ' 24' ' ' LEU . 80.8 mt -72.81 -24.66 60.94 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 115.56 -0.746 . . . . 63.23 111.036 -179.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.547 ' HA ' HD22 ' A' ' 21' ' ' LEU . 11.2 mp -66.05 -46.25 78.5 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 110.11 -0.33 . . . . 72.12 110.11 170.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.5 mt -70.54 -29.98 66.59 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.371 0.668 . . . . 73.23 111.095 -178.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -69.62 -52.19 28.2 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.958 0.903 . . . . 74.13 110.573 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.545 ' HB2' HD21 ' A' ' 21' ' ' LEU . 16.2 mt-30 -87.44 -9.2 55.29 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 114.456 -1.247 . . . . 72.4 111.853 -174.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.419 ' HG3' ' HE3' ' A' 1008 ' ' TRP . 32.2 tt0 -46.15 -58.6 3.5 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.626 1.17 . . . . 64.4 112.132 174.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.5 p -54.55 -41.97 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 O-C-N 124.188 0.93 . . . . 72.13 110.928 -178.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.3 m -67.21 -47.91 69.43 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.594 0.758 . . . . 73.3 111.251 -177.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -63.3 -47.24 83.12 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.105 0.962 . . . . 74.53 111.751 -178.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -66.72 -38.56 86.95 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.226 0.61 . . . . 75.32 110.68 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.577 ' HA ' ' HG2' ' A' ' 45' ' ' GLU . 98.5 mt-30 -72.29 -28.3 63.01 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 116.171 -0.468 . . . . 60.11 111.298 177.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.9 m -67.87 -42.19 81.68 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-O 121.099 0.475 . . . . 71.12 109.999 173.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.491 HG23 ' CD2' ' A' 1015 ' ' PHE . 35.6 mt -57.04 -55.96 17.45 Favored 'Isoleucine or valine' 0 C--O 1.244 0.8 0 C-N-CA 124.721 1.209 . . . . 74.52 110.863 176.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.577 ' HG2' ' HA ' ' A' ' 42' ' ' GLN . 12.7 pt-20 -69.03 -33.77 74.15 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.682 -0.69 . . . . 74.34 111.118 -174.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.454 ' O ' ' HG2' ' A' ' 50' ' ' LYS . 9.7 t -74.83 -30.53 61.4 Favored 'General case' 0 C--N 1.361 1.076 0 CA-C-O 118.958 -0.544 . . . . 74.4 111.482 -178.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.9 p -76.05 -38.03 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 CA-C-N 118.831 0.742 . . . . 63.53 110.38 175.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 51.8 ttm -73.08 -20.2 61.01 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.789 -0.641 . . . . 65.33 109.753 177.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -70.58 -35.47 73.05 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-N 115.668 -0.696 . . . . 71.01 110.025 171.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 46' ' ' THR . 1.4 mmmp? -78.4 85.92 4.48 Favored 'General case' 0 C--N 1.359 0.987 0 N-CA-C 109.857 -0.423 . . . . 71.31 109.857 -179.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -72.64 103.43 3.58 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.354 -0.839 . . . . 73.02 109.113 175.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.2 p -92.62 154.37 42.41 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 124.056 0.942 . . . . 75.31 109.964 177.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_endo -57.87 155.08 34.58 Favored 'Trans proline' 0 C--N 1.38 2.207 0 C-N-CA 122.666 2.244 . . . . 74.32 112.679 178.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -60.93 -46.03 17.76 Favored 'Trans proline' 0 C--N 1.378 2.101 0 C-N-CA 123.439 2.76 . . . . 74.24 112.25 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -72.38 78.59 0.69 Allowed Glycine 0 C--N 1.348 1.245 0 CA-C-N 115.087 -0.961 . . . . 73.03 112.442 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 13.4 mm -90.5 124.96 43.34 Favored 'Isoleucine or valine' 0 C--O 1.241 0.65 0 C-N-CA 124.076 0.95 . . . . 73.44 109.502 177.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.8 t -60.72 155.29 19.52 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.94 0.896 . . . . 61.54 111.507 176.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -56.33 -39.73 73.3 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.198 0.999 . . . . 74.54 112.536 -173.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.9 p -56.1 -57.71 11.03 Favored 'General case' 0 C--O 1.25 1.118 0 O-C-N 123.589 0.556 . . . . 72.11 111.093 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.521 HG12 HD11 ' A' ' 8' ' ' ILE . 68.9 mt -60.65 -45.19 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-N 115.565 -0.743 . . . . 72.0 110.04 178.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -58.92 -43.44 91.11 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 123.667 0.605 . . . . 71.13 111.507 -175.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -74.32 -43.51 56.41 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 122.701 0.401 . . . . 50.32 111.727 -178.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 71.5 mtm -64.21 -54.52 32.26 Favored 'General case' 0 N--CA 1.483 1.214 0 O-C-N 123.228 0.33 . . . . 64.2 110.147 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 37.8 t -57.89 -43.76 85.14 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.572 0 C-N-CA 123.972 0.909 . . . . 71.35 111.165 177.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.12 -33.64 74.86 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-N 117.944 0.338 . . . . 73.3 111.375 177.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.27 -48.47 82.39 Favored Glycine 0 C--N 1.348 1.24 0 O-C-N 123.95 0.781 . . . . 52.14 111.461 175.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -68.93 -30.68 69.18 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.31 0.644 . . . . 71.1 111.442 178.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.473 HG23 ' HE1' ' A' 1019 ' ' MET . 13.5 mt -66.88 -57.59 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.616 1.167 . . . . 74.05 110.263 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -66.39 -33.86 76.66 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 122.496 0.319 . . . . 63.3 111.029 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -60.45 -54.69 42.58 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 123.759 0.662 . . . . 74.14 110.127 175.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.486 ' OG1' HG22 ' A' ' 14' ' ' ILE . 11.3 t -69.57 -35.79 75.69 Favored 'General case' 0 C--O 1.211 -0.947 0 CA-C-O 118.859 -0.591 . . . . 74.2 111.575 -175.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.479 HD21 ' SD ' ' A' 1019 ' ' MET . 69.4 mt -69.57 -36.14 76.01 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.03 0.532 . . . . 74.25 111.465 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -72.8 -47.56 45.56 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.014 0.526 . . . . 73.13 110.585 177.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.626 ' HA ' HD22 ' A' ' 22' ' ' LEU . 93.1 m-20 -59.38 -41.68 89.93 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.343 -0.844 . . . . 73.42 110.312 176.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 41.0 tt0 -71.26 -35.49 71.4 Favored 'General case' 0 C--O 1.214 -0.804 0 CA-C-N 115.366 -0.834 . . . . 63.13 110.619 179.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -58.66 -50.48 73.7 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.271 0.628 . . . . 74.45 110.07 177.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.25 -36.19 81.11 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 114.71 -1.132 . . . . 73.14 110.637 177.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.476 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 8.1 mt -56.52 -63.84 1.06 Allowed 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.511 0.724 . . . . 64.24 110.771 175.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.6 ' HB3' HD12 ' A' 1012 ' ' LEU . 34.3 pttt -73.26 -22.08 60.47 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 118.91 -0.567 . . . . 63.13 112.4 -172.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -69.29 -50.48 32.71 Favored Glycine 0 C--N 1.346 1.139 0 N-CA-C 111.655 -0.578 . . . . 61.34 111.655 172.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.503 HD22 ' HB1' ' A' ' 25' ' ' ALA . 8.3 tt -66.14 -38.9 89.26 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.054 0.941 . . . . 60.41 110.991 178.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.413 HD13 ' HE1' ' A' 1008 ' ' TRP . 28.4 mt -73.86 -29.43 62.1 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.117 0.967 . . . . 65.23 111.016 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 0.9 OUTLIER -65.89 -48.51 71.25 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 108.409 -0.96 . . . . 75.35 108.409 172.286 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -66.66 -29.59 69.65 Favored 'General case' 0 N--CA 1.485 1.31 0 O-C-N 123.728 0.643 . . . . 73.24 111.275 178.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.45 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 19.5 tpt180 -67.6 -55.85 11.76 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 109.255 -0.646 . . . . 75.12 109.255 177.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.456 HD11 ' HB3' ' A' 1005 ' ' LEU . 96.1 mt -64.91 -26.78 68.46 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.132 0.573 . . . . 63.44 111.463 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -62.26 -52.83 62.14 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.594 1.158 . . . . 64.34 109.611 173.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.53 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 35.4 tt0 -58.89 -54.31 48.58 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 114.691 -1.14 . . . . 74.33 110.399 176.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.456 HD12 HD23 ' A' ' 86' ' ' LEU . 98.1 mt -56.55 -44.31 80.78 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.588 1.155 . . . . 61.23 111.92 -176.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 88.7 p -70.07 -32.04 69.93 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 122.479 0.312 . . . . 43.53 110.312 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.468 ' HA ' ' HA ' ' A' ' 95' ' ' GLN . 38.7 t -68.48 -32.63 72.76 Favored 'General case' 0 CA--C 1.552 1.032 0 O-C-N 123.643 0.589 . . . . 60.34 111.143 172.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 77.7 mt -72.36 -45.91 57.76 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.265 0.626 . . . . 72.44 110.334 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.509 HD12 HG21 ' A' ' 106' ' ' VAL . 83.2 mt -69.82 -42.56 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 123.974 0.91 . . . . 72.23 109.906 -179.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -151.08 -91.71 0.09 OUTLIER Glycine 0 C--N 1.337 0.585 0 N-CA-C 111.036 -0.826 . . . . 51.42 111.036 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.468 ' HA ' ' HA ' ' A' ' 91' ' ' SER . 0.0 OUTLIER -160.92 141.89 11.64 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 124.117 0.967 . . . . 73.41 109.273 178.002 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.0 p -85.22 129.91 37.04 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 C-N-CA 123.193 0.597 . . . . 65.23 110.092 177.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 23.0 tp -78.5 86.17 4.54 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 121.337 0.589 . . . . 61.1 109.507 178.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 26.6 p90 -57.98 -42.82 85.89 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.983 1.313 . . . . 73.04 111.51 175.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -83.54 98.67 9.69 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 121.716 0.77 . . . . 52.22 109.176 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.71 67.13 1.57 Allowed Glycine 0 CA--C 1.534 1.275 0 CA-C-N 115.379 -0.828 . . . . 52.11 111.785 -173.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -73.25 110.76 3.12 Favored 'Trans proline' 0 C--N 1.377 2.052 0 C-N-CA 122.6 2.2 . . . . 63.53 111.479 -178.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.2 p -142.14 168.24 20.21 Favored 'General case' 0 C--O 1.244 0.795 0 C-N-CA 124.129 0.971 . . . . 63.34 109.966 -175.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.22 76.11 4.74 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 121.776 0.798 . . . . 52.13 110.892 -177.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -156.97 20.84 0.43 Allowed Glycine 0 CA--C 1.519 0.334 0 CA-C-N 114.23 -1.35 . . . . 75.04 110.338 174.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 73.6 mt -72.06 -46.36 57.25 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.58 1.152 . . . . 64.21 109.751 -177.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.509 HG21 HD12 ' A' ' 93' ' ' ILE . 52.6 t -136.64 84.93 26.02 Favored Pre-proline 0 CA--C 1.553 1.065 0 N-CA-C 108.257 -1.016 . . . . 64.13 108.257 173.077 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -77.99 -23.42 9.25 Favored 'Trans proline' 0 C--N 1.373 1.859 0 C-N-CA 122.276 1.984 . . . . 75.2 111.611 171.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -160.83 122.39 3.01 Favored 'General case' 0 C--O 1.243 0.763 0 C-N-CA 124.659 1.184 . . . . 75.22 109.349 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -126.08 -13.29 3.3 Favored Glycine 0 CA--C 1.526 0.73 0 CA-C-N 115.866 -0.606 . . . . 75.21 112.301 172.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 27.9 m 67.95 99.42 0.05 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.594 1.558 . . . . 72.03 111.064 -175.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.461 ' O ' ' HG2' ' A' ' 114' ' ' GLU . . . 160.29 -160.98 32.21 Favored Glycine 0 C--N 1.343 0.957 0 CA-C-N 116.139 -0.482 . . . . 72.22 112.142 177.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -77.43 -15.79 81.06 Favored Glycine 0 C--N 1.346 1.113 0 CA-C-N 116.769 0.284 . . . . 54.51 112.516 171.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 32.5 pt -64.47 -18.8 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 124.032 0.933 . . . . 74.03 112.437 177.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 111' ' ' GLY . 10.7 mm-40 -57.4 -52.68 64.39 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.341 0.656 . . . . 75.42 110.02 177.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -59.98 -46.64 93.79 Favored Glycine 0 C--N 1.351 1.373 0 CA-C-N 114.51 -1.223 . . . . 71.22 112.29 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 47.9 ttp -60.71 -50.75 72.21 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.106 0.563 . . . . 74.51 111.878 -177.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 41.3 p -66.26 -51.5 56.84 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 122.768 0.427 . . . . 75.52 110.855 -176.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 98.9 m -53.25 -51.05 63.47 Favored 'General case' 0 C--O 1.251 1.159 0 C-N-CA 123.597 0.759 . . . . 73.33 111.484 178.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 79.0 mtt-85 -58.73 -59.1 5.94 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.325 -0.852 . . . . 64.45 111.276 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . 0.563 ' O ' ' HG ' ' A' 1009 ' ' LEU . 56.2 mt -63.25 -33.39 75.4 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 112.529 0.566 . . . . 62.45 112.529 -174.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 38.4 p -68.49 -50.11 54.74 Favored 'General case' 0 N--CA 1.483 1.22 0 CA-C-N 118.35 0.523 . . . . 74.23 111.029 177.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -66.62 -25.59 66.67 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.034 0.445 . . . . 64.45 110.763 177.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1008 ' ' TRP . . . . . 0.555 ' HH2' HD13 ' A' ' 21' ' ' LEU . 1.3 t-105 -67.53 -46.58 72.37 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.928 1.291 . . . . 72.02 110.067 174.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1009 ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' 1005 ' ' LEU . 82.3 mt -67.79 -35.57 78.88 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.953 -0.758 . . . . 61.3 108.953 -177.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 93.3 m -59.28 -48.06 83.05 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 114.307 -1.315 . . . . 60.23 110.864 172.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -69.34 -28.31 66.12 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.513 0.725 . . . . 63.12 111.985 -179.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1012 ' ' LEU . . . . . 0.6 HD12 ' HB3' ' A' ' 79' ' ' LYS . 22.5 mt -73.96 -42.95 59.75 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.07 0.548 . . . . 55.25 110.118 178.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 33.2 t70 -67.32 -39.48 85.86 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 115.503 -0.771 . . . . 75.21 110.099 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 44.4 t30 -61.68 -50.09 73.88 Favored 'General case' 0 C--O 1.25 1.098 0 C-N-CA 123.967 0.907 . . . . 72.24 110.221 177.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1015 ' ' PHE . . . . . 0.491 ' CD2' HG23 ' A' ' 44' ' ' ILE . 25.7 t80 -54.52 -63.22 1.22 Allowed 'General case' 0 C--N 1.356 0.89 0 O-C-N 124.49 1.119 . . . . 74.1 110.017 176.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1016 ' ' GLU . . . . . 0.456 ' HG3' HD22 ' A' ' 72' ' ' LEU . 39.0 tt0 -49.76 -49.38 48.48 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 124.833 1.333 . . . . 73.14 112.248 -175.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -59.42 -60.58 3.62 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 124.061 0.851 . . . . 74.11 111.123 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -69.98 -29.7 66.86 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 112.134 0.42 . . . . 74.25 112.134 -172.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1019 ' ' MET . . . . . 0.561 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.2 OUTLIER -78.45 -28.17 46.57 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 110.168 -0.308 . . . . 63.42 110.168 -178.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -74.81 -27.29 60.24 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 110.03 -0.359 . . . . 55.23 110.03 169.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 96.8 mt -81.37 -13.55 58.2 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.493 0.717 . . . . 53.44 111.962 176.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1022 ' ' LEU . . . . . 0.561 ' HG ' ' HA ' ' A' 1019 ' ' MET . 74.9 mt -49.9 111.41 2.07 Favored Pre-proline 0 N--CA 1.495 1.823 0 C-N-CA 123.238 0.615 . . . . 75.35 110.229 167.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -84.26 -4.73 10.29 Favored 'Trans proline' 0 C--N 1.372 1.784 0 C-N-CA 122.337 2.024 . . . . 70.21 113.461 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -76.23 -62.73 1.51 Allowed 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.088 0.555 . . . . 73.31 110.804 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1025 ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.257 1.497 0 C-N-CA 124.097 0.959 . . . . 72.41 108.523 -178.378 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpp? . . . . . 0 N--CA 1.483 1.206 0 N-CA-C 109.1 -0.704 . . . . 44.13 109.1 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.6 m -55.06 -46.75 75.42 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.174 0.99 . . . . 73.43 112.8 -167.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.3 m -59.29 -46.4 88.67 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.779 0.432 . . . . 55.2 110.673 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 96.0 m -63.05 -52.35 63.17 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.391 1.076 . . . . 74.0 112.333 -178.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.1 t -64.4 -46.7 92.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 123.611 0.765 . . . . 62.24 110.088 -174.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -55.96 -56.0 26.01 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 123.435 0.459 . . . . 74.15 111.07 174.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.426 ' CZ ' HG22 ' A' 1025 ' ' VAL . 8.1 t80 -58.21 -58.84 6.69 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 123.889 0.876 . . . . 74.5 111.775 -172.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.552 HD11 HG12 ' A' ' 60' ' ' ILE . 69.3 mt -62.52 -52.79 55.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 123.91 0.884 . . . . 73.1 111.237 -177.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -68.43 -30.03 68.83 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 112.422 0.526 . . . . 63.24 112.422 -171.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.505 HH12 ' HB3' ' A' ' 50' ' ' LYS . 84.1 mtm180 -76.31 -47.04 25.0 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-O 119.053 -0.499 . . . . 65.55 110.387 176.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 51.4 m95 -60.67 -37.8 82.77 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-N 118.152 0.433 . . . . 75.45 111.336 176.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -62.21 -47.68 83.35 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.46 1.104 . . . . 64.25 109.834 174.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -60.01 -41.74 92.78 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 124.059 0.849 . . . . 75.11 111.118 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 10' ' ' ARG . 96.3 mt -67.79 -40.17 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.421 1.088 . . . . 71.45 110.35 -179.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.16 -47.0 81.59 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.193 0.597 . . . . 71.22 111.187 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.3 mt -69.05 -36.91 78.2 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 114.978 -1.01 . . . . 52.02 111.089 -178.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.9 mt -65.23 -58.42 6.01 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.343 0.657 . . . . 63.22 109.648 177.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.0 p -55.46 -37.82 68.26 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.423 0.689 . . . . 63.42 111.573 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -60.76 -54.43 45.3 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.821 0.849 . . . . 71.54 110.941 175.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.3 m -57.18 -54.84 42.26 Favored 'General case' 0 N--CA 1.481 1.122 0 O-C-N 123.701 0.626 . . . . 73.31 110.658 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.653 HD13 ' HH2' ' A' 1008 ' ' TRP . 35.9 mt -52.6 -37.46 58.18 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.813 1.645 . . . . 74.01 112.213 177.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.476 HD22 ' HA ' ' A' ' 74' ' ' ASN . 28.7 tp -65.72 -52.14 53.61 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.238 0.615 . . . . 73.55 110.979 177.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -59.85 -39.99 87.03 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 121.846 0.831 . . . . 71.1 110.592 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.53 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 95.5 mt -66.71 -41.14 88.44 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 114.116 -1.402 . . . . 74.42 110.871 177.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.492 ' HB2' HD21 ' A' ' 33' ' ' LEU . . . -64.85 -34.34 78.15 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.115 0.566 . . . . 53.42 111.143 178.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -66.76 -37.4 84.52 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.692 0.797 . . . . 62.43 110.744 174.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.1 mmp_? -79.25 -17.25 55.1 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 112.642 0.608 . . . . 75.24 112.642 174.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.0 17.06 61.93 Favored Glycine 0 C--N 1.343 0.951 0 O-C-N 123.313 0.383 . . . . 51.23 113.302 -177.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.53 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 28.2 mm-40 -72.6 70.62 0.93 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.686 0.794 . . . . 64.42 111.1 174.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.505 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 24.7 m95 -67.48 -37.26 82.63 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.745 -0.661 . . . . 74.52 111.205 -173.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -59.37 -39.44 83.3 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.515 0.726 . . . . 74.21 111.728 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.427 HD12 HD22 ' A' ' 24' ' ' LEU . 75.2 mt -69.52 -32.48 71.35 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.049 -0.523 . . . . 74.2 111.224 178.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.492 HD21 ' HB2' ' A' ' 25' ' ' ALA . 11.2 mp -65.37 -43.36 91.01 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 122.395 0.278 . . . . 70.44 110.624 171.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 30' ' ' TRP . 53.5 mt -74.34 -22.47 59.22 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.668 0.787 . . . . 74.35 111.433 -176.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -79.7 -57.17 3.8 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.658 0.783 . . . . 75.31 109.797 176.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.48 ' HB2' HD21 ' A' ' 21' ' ' LEU . 13.7 mt-30 -73.54 -8.82 57.48 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.94 1.296 . . . . 61.52 111.667 -179.431 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.427 ' HA ' ' CZ3' ' A' 1008 ' ' TRP . 46.2 tt0 -44.49 -56.49 4.26 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.672 1.189 . . . . 73.31 112.408 173.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.5 p -59.53 -43.09 90.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-N 115.35 -0.841 . . . . 64.32 110.772 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.3 m -61.66 -45.46 93.94 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.307 0.643 . . . . 43.4 111.75 -177.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -71.13 -49.92 39.01 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.089 -0.96 . . . . 73.24 110.85 -174.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.5 mt -69.2 -29.64 67.66 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 115.968 -0.56 . . . . 71.14 111.825 -177.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -73.58 -39.27 64.78 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.498 0.719 . . . . 61.54 110.179 176.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.1 m -64.86 -40.2 94.77 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 122.655 0.382 . . . . 71.41 110.956 175.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.7 mt -57.59 -50.27 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 124.658 1.183 . . . . 72.32 110.444 173.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -56.19 -56.38 21.68 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 114.72 -1.127 . . . . 72.14 110.844 -179.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.459 HG23 ' HD2' ' A' ' 10' ' ' ARG . 8.0 t -64.42 -38.55 91.41 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 115.932 -0.576 . . . . 55.3 112.067 -175.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.5 p -73.42 -36.45 48.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 CA-C-O 120.709 0.29 . . . . 65.23 111.229 -175.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 54.2 ttm -78.61 -25.73 45.22 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 116.295 -0.412 . . . . 71.04 110.376 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -75.99 -37.67 58.25 Favored 'General case' 0 CA--C 1.553 1.09 0 N-CA-C 109.432 -0.581 . . . . 71.42 109.432 177.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.505 ' HB3' HH12 ' A' ' 10' ' ' ARG . 3.3 tmtm? -111.04 88.98 2.92 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 108.597 -0.89 . . . . 73.24 108.597 -176.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -94.07 148.76 21.86 Favored 'General case' 0 C--O 1.246 0.893 0 CA-C-N 114.076 -1.42 . . . . 64.33 108.727 178.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 26.0 p -93.54 150.25 38.55 Favored Pre-proline 0 N--CA 1.477 0.922 0 CA-C-O 118.687 -0.673 . . . . 54.44 110.214 177.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -55.35 154.21 24.84 Favored 'Trans proline' 0 C--N 1.388 2.618 0 C-N-CA 123.055 2.503 . . . . 73.14 113.22 -175.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_exo -44.82 -45.66 13.47 Favored 'Trans proline' 0 C--N 1.39 2.744 0 C-N-CA 125.077 3.851 . . . . 71.3 114.647 -177.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -82.77 56.59 5.05 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-N 115.735 -0.666 . . . . 61.51 112.662 177.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.41 HD11 HG21 ' A' ' 60' ' ' ILE . 7.3 tp -73.98 139.23 19.67 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.04 0 N-CA-C 108.674 -0.861 . . . . 74.32 108.674 172.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.455 HG22 HD12 ' A' ' 60' ' ' ILE . 4.9 t -70.18 162.04 29.11 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 118.188 0.449 . . . . 62.4 111.303 -173.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -66.15 -45.28 81.54 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.349 1.06 . . . . 74.21 112.732 -164.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.6 m -61.19 -47.72 84.84 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-O 121.128 0.49 . . . . 72.23 111.326 -177.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.552 HG12 HD11 ' A' ' 8' ' ' ILE . 71.4 mt -61.82 -53.37 48.97 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 CA-C-N 114.961 -1.018 . . . . 64.55 109.871 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -59.56 -35.71 74.77 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 124.11 0.882 . . . . 74.33 111.628 -177.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -68.16 -55.54 11.99 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.465 0.706 . . . . 72.43 110.475 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 75.8 mtm -59.54 -44.95 93.07 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 123.708 0.63 . . . . 61.43 110.945 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.422 HG21 ' CD1' ' A' ' 7' ' ' PHE . 8.9 t -62.82 -44.76 99.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 124.141 0.977 . . . . 73.24 111.627 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.402 ' HA ' ' HB ' ' A' ' 68' ' ' ILE . . . -65.9 -29.17 69.55 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 120.791 0.329 . . . . 71.11 111.173 178.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.5 -45.34 93.41 Favored Glycine 0 C--N 1.351 1.383 0 CA-C-N 115.423 -0.808 . . . . 74.34 111.257 170.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -68.88 -27.73 66.06 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.771 0.828 . . . . 73.43 111.786 177.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.54 HG23 ' HE1' ' A' 1019 ' ' MET . 17.8 mt -67.2 -57.72 8.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 124.929 1.291 . . . . 70.43 109.853 178.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -67.08 -30.92 71.09 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-O 120.768 0.318 . . . . 61.34 110.588 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -60.06 -57.2 13.88 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-N 115.251 -0.886 . . . . 71.42 110.129 176.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.416 ' OG1' HG22 ' A' ' 14' ' ' ILE . 9.3 t -69.05 -35.74 76.9 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-N 115.407 -0.815 . . . . 63.44 111.525 -174.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.477 HD22 ' HG3' ' A' 1016 ' ' GLU . 65.3 mt -65.94 -38.54 88.89 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 123.601 0.563 . . . . 74.53 111.828 179.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -74.65 -42.46 58.48 Favored 'General case' 0 N--CA 1.485 1.325 0 O-C-N 123.122 0.264 . . . . 72.14 111.182 178.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.476 ' HA ' HD22 ' A' ' 22' ' ' LEU . 91.6 m-20 -60.22 -42.27 94.81 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.487 0.715 . . . . 72.32 110.576 175.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.565 ' HG2' ' HE2' ' A' ' 79' ' ' LYS . 35.4 tt0 -75.58 -30.57 59.67 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 114.839 -1.073 . . . . 72.43 110.554 -178.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -62.03 -47.2 85.8 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-O 121.521 0.677 . . . . 71.23 109.55 174.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 73.8 mt -67.66 -34.38 76.81 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 114.32 -1.309 . . . . 62.22 111.152 178.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.425 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 15.0 mt -60.62 -57.7 11.61 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.469 0.707 . . . . 72.12 110.309 171.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.565 ' HE2' ' HG2' ' A' ' 75' ' ' GLU . 47.3 mtmt -59.85 -38.64 82.68 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.98 0.912 . . . . 72.42 112.195 -176.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -69.47 -46.76 54.39 Favored Glycine 0 C--N 1.345 1.048 0 O-C-N 123.612 0.57 . . . . 70.3 112.77 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.403 ' O ' ' HD3' ' A' ' 85' ' ' ARG . 9.2 tt -59.42 -58.94 6.43 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.971 0.908 . . . . 74.11 109.36 178.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.421 ' HB2' HD21 ' A' 1009 ' ' LEU . 32.2 mt -62.99 -30.79 71.87 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.68 1.192 . . . . 72.44 112.001 -177.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -62.05 -51.33 68.39 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 109.604 -0.517 . . . . 73.11 109.604 173.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -64.25 -43.09 95.97 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 124.11 0.881 . . . . 72.23 111.175 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.403 ' HD3' ' O ' ' A' ' 81' ' ' LEU . 2.7 mpt_? -70.63 -43.9 68.3 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.134 0.574 . . . . 73.54 110.847 -173.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.527 HD11 ' HB3' ' A' 1005 ' ' LEU . 86.9 mt -67.23 -32.12 72.93 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 122.528 0.331 . . . . 72.34 110.839 175.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -59.92 -51.58 69.09 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.588 0.755 . . . . 72.33 110.13 174.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.555 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 45.3 mt-10 -61.91 -53.05 61.13 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.526 1.13 . . . . 73.34 110.352 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.674 HD13 ' SD ' ' A' 1001 ' ' MET . 95.3 mt -57.21 -42.97 82.33 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.644 1.177 . . . . 61.44 111.968 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.2 m -66.65 -34.79 78.66 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 122.371 0.268 . . . . 72.1 111.356 177.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.4 t -64.32 -36.2 83.35 Favored 'General case' 0 CA--C 1.556 1.176 0 O-C-N 123.395 0.434 . . . . 51.02 110.62 172.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 52.9 mt -72.25 -34.1 68.0 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.714 0.806 . . . . 75.21 111.036 178.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 97.9 mt -69.9 -45.68 76.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.454 1.102 . . . . 75.12 109.862 178.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -173.74 -64.61 0.05 OUTLIER Glycine 0 C--N 1.339 0.7 0 CA-C-N 115.785 -0.643 . . . . 64.12 112.088 178.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 28.5 pt20 -146.32 154.85 42.15 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 123.32 0.648 . . . . 74.25 110.215 -174.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.467 HG23 HD13 ' A' ' 105' ' ' LEU . 10.6 p -134.64 143.95 36.28 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 CA-C-N 115.178 -0.919 . . . . 61.52 108.748 170.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -98.42 151.37 20.64 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.337 0.655 . . . . 62.34 109.763 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -73.61 -30.83 63.22 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 114.908 -1.042 . . . . 71.13 110.879 -168.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.681 ' HG3' ' HB3' ' A' ' 102' ' ' SER . 19.7 pt20 -61.99 115.3 3.96 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 115.24 -0.891 . . . . 64.43 109.178 169.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -60.62 -59.96 9.34 Favored Glycine 0 CA--C 1.536 1.398 0 CA-C-N 115.588 -0.733 . . . . 64.54 114.568 -177.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -78.02 29.23 0.45 Allowed 'Trans proline' 0 C--N 1.375 1.946 0 C-N-CA 123.072 2.514 . . . . 62.05 114.097 -178.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.681 ' HB3' ' HG3' ' A' ' 99' ' ' GLN . 15.1 p -57.19 -47.24 81.75 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.146 0.978 . . . . 53.14 111.419 175.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 74.72 -63.56 0.42 Allowed 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.857 1.663 . . . . 73.34 112.115 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.05 63.26 3.57 Favored Glycine 0 C--N 1.344 1.023 0 N-CA-C 114.282 0.473 . . . . 61.13 114.282 -177.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.467 HD13 HG23 ' A' ' 96' ' ' VAL . 86.3 mt -81.65 -38.22 26.26 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.103 0.961 . . . . 54.32 109.987 177.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 59.1 t -116.55 113.01 40.77 Favored Pre-proline 0 CA--C 1.55 0.962 0 CA-C-N 115.048 -0.978 . . . . 74.33 108.652 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -75.36 -148.62 0.03 OUTLIER 'Trans proline' 0 C--N 1.375 1.946 0 C-N-CA 122.926 2.417 . . . . 72.42 111.476 173.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.515 ' HA ' ' HE ' ' A' ' 108' ' ' ARG . 1.0 OUTLIER -62.04 90.9 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 117.806 0.276 . . . . 53.5 110.945 173.884 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -72.61 -84.46 0.24 Allowed Glycine 0 C--N 1.347 1.147 0 N-CA-C 111.301 -0.72 . . . . 63.02 111.301 174.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 43.2 p -176.0 -68.59 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.252 1.021 . . . . 74.45 110.135 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -158.96 177.22 35.62 Favored Glycine 0 C--N 1.34 0.769 0 N-CA-C 111.059 -0.816 . . . . 54.14 111.059 -178.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 61.81 -85.81 0.04 OUTLIER Glycine 0 C--N 1.353 1.498 0 CA-C-N 117.111 0.455 . . . . 74.32 112.906 -177.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.5 pt -62.58 -26.4 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.364 1.065 . . . . 74.23 111.899 176.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.412 ' O ' HG22 ' A' 1003 ' ' THR . 7.3 tp10 -56.51 -60.88 2.9 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 123.855 0.722 . . . . 71.55 109.731 176.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -62.11 -42.98 99.74 Favored Glycine 0 C--N 1.363 2.07 0 CA-C-N 114.782 -1.099 . . . . 52.24 112.783 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1001 ' ' MET . . . . . 0.674 ' SD ' HD13 ' A' ' 89' ' ' LEU . 31.6 ttm -49.38 -59.4 3.75 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.355 1.062 . . . . 63.12 111.126 177.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 75.1 p -70.19 -54.18 13.94 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.284 -0.871 . . . . 71.21 111.137 -172.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1003 ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 114' ' ' GLU . 15.1 t -57.38 -46.13 83.73 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 118.021 0.373 . . . . 75.21 111.167 -174.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 81.5 mtt-85 -62.01 -57.79 10.32 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 116.182 -0.463 . . . . 74.54 110.501 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . 0.549 ' O ' ' HG ' ' A' 1009 ' ' LEU . 61.7 mt -65.67 -24.34 66.99 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 124.107 0.879 . . . . 75.41 112.941 -173.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 65.7 p -79.41 -44.21 21.87 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-N 118.856 0.753 . . . . 60.12 111.011 176.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 61.2 mtp85 -62.45 -34.32 76.57 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 121.728 0.775 . . . . 64.12 110.07 173.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1008 ' ' TRP . . . . . 0.653 ' HH2' HD13 ' A' ' 21' ' ' LEU . 17.4 t-105 -62.58 -55.27 28.73 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.821 1.649 . . . . 73.54 110.056 174.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1009 ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' 1005 ' ' LEU . 51.8 mt -60.69 -38.38 84.8 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.074 0.55 . . . . 75.2 112.008 -176.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 12.2 t -74.5 -32.32 62.49 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-O 119.397 -0.335 . . . . 64.13 110.859 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -70.49 -33.09 70.84 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.522 0.329 . . . . 74.32 111.324 175.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1012 ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' 1008 ' ' TRP . 20.9 mt -70.99 -47.33 59.45 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.811 0.844 . . . . 44.44 110.145 178.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 13.0 t70 -62.16 -41.55 98.41 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 114.953 -1.021 . . . . 74.12 109.757 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 8.7 t30 -62.83 -44.26 96.6 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.993 0.917 . . . . 73.0 111.085 176.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 27.9 t80 -57.76 -56.07 26.73 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 123.583 0.552 . . . . 72.42 109.999 176.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1016 ' ' GLU . . . . . 0.477 ' HG3' HD22 ' A' ' 72' ' ' LEU . 38.3 tt0 -51.71 -45.51 63.57 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 124.445 1.091 . . . . 74.52 111.757 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1017 ' ' ALA . . . . . 0.435 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -63.5 -60.06 3.84 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 123.884 0.74 . . . . 64.32 111.817 -178.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -61.39 -35.15 76.7 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.494 0.718 . . . . 73.32 111.762 -175.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1019 ' ' MET . . . . . 0.643 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.0 OUTLIER -81.3 -25.35 36.55 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.988 -0.551 . . . . 70.52 110.883 -176.183 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -75.77 -24.18 56.0 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.489 0.316 . . . . 64.43 110.616 167.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1021 ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' 1017 ' ' ALA . 77.4 mt -80.01 -20.93 44.26 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-O 118.432 -0.794 . . . . 74.11 111.782 176.306 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1022 ' ' LEU . . . . . 0.643 ' HG ' ' HA ' ' A' 1019 ' ' MET . 85.9 mt -47.58 107.82 0.79 Allowed Pre-proline 0 N--CA 1.501 2.077 0 C-N-CA 123.72 0.808 . . . . 61.41 111.847 173.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -81.75 -3.76 11.92 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.574 2.183 . . . . 62.41 111.821 174.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -168.94 99.79 0.38 Allowed 'General case' 0 C--N 1.348 0.531 0 C-N-CA 125.196 1.399 . . . . 75.33 107.735 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1025 ' ' VAL . . . . . 0.502 HG21 HD11 ' A' ' 68' ' ' ILE . 8.6 p . . . . . 0 CA--C 1.565 1.549 0 C-N-CA 123.304 0.641 . . . . 63.13 110.693 -179.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ppp? . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 120.939 0.4 . . . . 64.11 110.171 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.515 ' O ' ' HB2' ' A' ' 6' ' ' GLU . 13.1 t -60.41 -39.67 88.22 Favored 'General case' 0 C--N 1.36 1.051 0 CA-C-N 115.747 -0.661 . . . . 74.54 112.386 -173.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.5 m -76.06 -29.52 58.04 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 122.79 0.436 . . . . 54.24 111.485 -178.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 87.5 m -63.95 -58.6 6.24 Favored 'General case' 0 C--O 1.246 0.914 0 C-N-CA 123.49 0.716 . . . . 61.33 110.172 175.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.5 p -65.27 -30.73 51.16 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 CA-C-N 116.016 -0.538 . . . . 61.22 110.644 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.515 ' HB2' ' O ' ' A' ' 2' ' ' THR . 9.0 tp10 -59.43 -55.54 33.41 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.72 0.808 . . . . 74.34 110.432 175.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -60.63 -54.93 39.42 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 114.406 -1.27 . . . . 51.3 110.266 -175.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 64.0 mt -63.1 -43.34 98.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 115.524 -0.762 . . . . 72.5 111.558 -175.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.467 ' HB3' ' NH1' ' A' ' 13' ' ' ARG . 0.9 OUTLIER -71.59 -33.77 69.31 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 122.271 0.228 . . . . 64.14 111.55 -176.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.449 ' O ' HG13 ' A' ' 14' ' ' ILE . 99.2 mtt180 -63.51 -53.12 56.88 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 109.07 -0.715 . . . . 71.41 109.07 174.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -55.03 -35.69 64.72 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 123.697 0.623 . . . . 74.14 112.122 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -59.2 -55.73 31.25 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.669 0.788 . . . . 72.45 110.296 175.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.467 ' NH1' ' HB3' ' A' ' 9' ' ' ASN . 5.2 mpt_? -67.68 -28.44 67.69 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 116.034 -0.53 . . . . 75.53 111.817 -177.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 10' ' ' ARG . 92.0 mt -70.63 -39.11 75.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 123.049 0.54 . . . . 74.32 109.818 177.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.48 -43.13 86.24 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 115.701 -0.681 . . . . 65.03 110.668 176.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.13 -42.58 96.78 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 115.345 -0.843 . . . . 71.53 110.506 176.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 36.6 mt -64.27 -51.75 62.04 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.479 0.712 . . . . 71.12 110.094 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.0 p -59.66 -38.94 82.82 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.168 0.587 . . . . 72.13 111.131 -177.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -63.8 -48.66 75.99 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.737 0.815 . . . . 72.54 111.715 175.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.413 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 70.1 m -66.7 -43.48 84.23 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.155 0.582 . . . . 23.21 110.946 -177.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.563 HD23 HD12 ' A' ' 24' ' ' LEU . 96.2 mt -67.76 -31.41 71.29 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.835 1.254 . . . . 64.4 110.141 178.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.419 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 43.4 tp -61.99 -50.14 73.24 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-N 115.717 -0.674 . . . . 64.32 110.232 173.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -61.48 -36.94 81.86 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 123.8 0.688 . . . . 75.23 111.339 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.563 HD12 HD23 ' A' ' 21' ' ' LEU . 98.5 mt -61.41 -45.15 95.53 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.877 -0.416 . . . . 54.52 109.877 176.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.464 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -67.93 -32.1 72.32 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.027 0.531 . . . . 75.32 112.127 179.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 83.0 mm-40 -67.22 -36.66 82.15 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.445 0.698 . . . . 54.02 111.056 176.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -85.43 -25.3 27.06 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 122.774 0.43 . . . . 74.24 111.419 177.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.63 15.75 42.12 Favored Glycine 0 C--N 1.343 0.925 0 CA-C-N 116.416 -0.357 . . . . 41.55 113.985 -175.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -73.59 78.74 1.48 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 123.72 0.808 . . . . 73.04 110.532 175.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.468 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 12.2 m95 -75.96 -30.03 58.48 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.351 0.66 . . . . 74.14 111.684 -176.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -64.63 -49.76 69.79 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.115 0.566 . . . . 74.35 111.496 -176.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 89.3 mt -67.44 -29.84 69.41 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 115.695 -0.684 . . . . 63.41 110.791 175.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.427 HD12 HD22 ' A' ' 21' ' ' LEU . 18.2 tp -64.83 -41.94 95.33 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.154 0.582 . . . . 52.04 110.13 176.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.553 HD21 ' HG ' ' A' 1005 ' ' LEU . 86.3 mt -72.02 -35.48 69.42 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.046 0.938 . . . . 70.23 111.208 179.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -65.19 -48.8 72.17 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 121.651 0.739 . . . . 73.11 110.749 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.445 ' HB2' HD21 ' A' ' 21' ' ' LEU . 12.0 mt-30 -89.76 -9.08 50.67 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.738 1.215 . . . . 65.41 112.333 -175.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -43.92 -58.75 2.6 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.256 1.023 . . . . 74.11 111.259 169.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.3 p -58.03 -36.31 56.03 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.904 0 CA-C-N 115.091 -0.959 . . . . 73.33 111.79 -178.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.7 m -68.14 -42.6 79.89 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.169 0.588 . . . . 43.34 111.339 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -68.09 -46.65 70.4 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.546 0.738 . . . . 63.33 111.099 -179.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.7 mt -69.18 -29.55 67.57 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 123.385 0.674 . . . . 70.23 110.814 -178.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -67.59 -45.98 73.95 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.664 0.785 . . . . 72.34 110.852 173.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.3 m -62.62 -41.9 99.27 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.495 0.718 . . . . 74.02 111.244 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 25.1 mt -57.29 -51.77 65.22 Favored 'Isoleucine or valine' 0 C--O 1.25 1.083 0 C-N-CA 124.934 1.294 . . . . 63.41 110.82 173.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -56.73 -54.67 43.55 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.956 -1.02 . . . . 72.41 111.043 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.7 t -67.28 -37.26 83.14 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 115.86 -0.609 . . . . 74.11 111.46 -173.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.7 p -69.61 -36.21 69.71 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 CA-C-N 118.292 0.496 . . . . 61.45 110.695 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 42.3 ttm -73.22 -31.02 63.9 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 116.371 -0.377 . . . . 73.44 110.519 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -67.95 -36.13 79.58 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.265 0.626 . . . . 71.11 110.514 173.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -96.07 68.72 2.73 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.989 0.916 . . . . 73.21 109.195 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -83.3 138.53 33.52 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 109.347 -0.612 . . . . 74.13 109.347 175.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.1 p -70.65 149.09 95.34 Favored Pre-proline 0 CA--C 1.552 1.035 0 C-N-CA 123.017 0.527 . . . . 73.55 111.073 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -62.39 166.58 12.85 Favored 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 123.467 2.778 . . . . 73.5 113.185 173.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -43.0 -44.23 9.4 Favored 'Trans proline' 0 C--N 1.387 2.584 0 C-N-CA 124.503 3.468 . . . . 71.44 113.874 174.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -72.9 67.79 1.35 Allowed Glycine 0 C--N 1.352 1.451 0 CA-C-N 116.167 -0.469 . . . . 74.44 113.139 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 5.4 tp -102.7 112.78 37.28 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.159 0 C-N-CA 124.929 1.292 . . . . 74.01 108.174 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.0 t -80.04 164.46 23.4 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.412 0.685 . . . . 52.41 111.571 -173.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -57.55 -42.75 83.6 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.696 1.198 . . . . 72.35 111.829 -176.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.5 m -55.27 -58.13 8.96 Favored 'General case' 0 C--O 1.25 1.09 0 O-C-N 123.571 0.544 . . . . 74.05 111.252 -178.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 53.8 mt -62.79 -50.13 80.93 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 CA-C-N 114.96 -1.018 . . . . 74.23 109.713 -177.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.9 tm0? -52.66 -47.71 66.94 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 124.329 1.018 . . . . 54.23 110.558 -177.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -69.06 -47.84 64.31 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.169 0.988 . . . . 64.12 111.736 -174.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 77.4 mtm -63.41 -49.16 74.85 Favored 'General case' 0 C--O 1.255 1.376 0 CA-C-O 121.402 0.62 . . . . 74.21 110.583 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.1 t -57.62 -41.56 79.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 CA-C-N 114.694 -1.139 . . . . 54.13 111.008 174.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.446 ' O ' ' HG2' ' A' ' 69' ' ' LYS . . . -64.22 -33.94 76.96 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 123.495 0.497 . . . . 51.13 111.076 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.96 -52.06 54.68 Favored Glycine 0 C--N 1.353 1.517 0 N-CA-C 110.777 -0.929 . . . . 72.23 110.777 173.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -63.26 -29.48 70.8 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 114.925 -0.637 . . . . 74.14 112.564 177.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.428 HG23 ' HE1' ' A' 1019 ' ' MET . 19.8 mt -67.45 -44.28 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 124.391 1.076 . . . . 64.25 110.279 177.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 32.3 mmmt -65.49 -40.85 93.56 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.313 -0.403 . . . . 75.45 110.037 177.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -60.08 -55.35 35.05 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.034 0.533 . . . . 73.14 110.673 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.4 t -65.21 -43.97 89.82 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-O 118.938 -0.553 . . . . 71.3 111.484 -174.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.0 mt -68.72 -30.33 68.95 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 117.991 0.359 . . . . 73.51 111.827 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -70.88 -50.96 29.42 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-O 121.408 0.623 . . . . 71.23 110.326 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -68.32 -34.07 75.45 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 114.635 -1.166 . . . . 74.33 110.532 -177.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.407 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 40.5 tt0 -75.09 -30.67 60.97 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 123.64 0.776 . . . . 74.34 110.92 176.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -65.93 -41.3 91.54 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 121.157 0.503 . . . . 74.52 109.887 174.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 63.3 mt -67.83 -40.25 83.77 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 115.228 -0.897 . . . . 74.31 110.485 175.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.407 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 40.4 mt -61.95 -39.62 92.73 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 123.431 0.692 . . . . 75.45 110.98 171.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -63.88 -52.55 59.46 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.434 1.094 . . . . 74.44 109.638 -175.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.46 -51.05 45.54 Favored Glycine 0 C--N 1.348 1.243 0 CA-C-N 114.99 -1.004 . . . . 70.44 113.051 -179.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.464 HD22 ' HB1' ' A' ' 25' ' ' ALA . 9.4 tt -58.06 -51.31 70.22 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.695 0.798 . . . . 74.3 110.332 -177.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.496 HD13 ' HE1' ' A' 1008 ' ' TRP . 27.4 mt -77.56 -23.83 49.97 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.418 0.687 . . . . 73.22 112.412 -173.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -65.76 -53.88 34.63 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 108.708 -0.849 . . . . 63.4 108.708 170.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -59.08 -38.65 79.98 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 114.921 -1.036 . . . . 73.04 111.113 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -73.9 -51.2 16.9 Favored 'General case' 0 C--O 1.213 -0.826 0 CA-C-N 115.411 -0.813 . . . . 72.32 110.317 -172.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.629 HD11 ' HB3' ' A' 1005 ' ' LEU . 71.1 mt -62.37 -41.26 98.49 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 122.67 0.388 . . . . 63.52 111.637 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -61.0 -50.12 74.66 Favored 'General case' 0 C--O 1.247 0.931 0 O-C-N 123.897 0.748 . . . . 75.13 110.52 178.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.528 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 39.5 tt0 -57.84 -56.85 16.67 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 115.136 -0.938 . . . . 73.23 110.741 176.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 86.2 mt -57.12 -40.91 78.03 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.434 1.094 . . . . 71.14 111.989 -177.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.425 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 32.8 t -65.34 -39.51 92.47 Favored 'General case' 0 C--O 1.244 0.809 0 C-N-CA 123.171 0.589 . . . . 72.2 110.414 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 39.6 t -62.24 -40.23 95.48 Favored 'General case' 0 CA--C 1.554 1.122 0 CA-C-N 115.252 -0.885 . . . . 75.11 111.517 172.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 53.0 mt -68.41 -38.12 80.95 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.494 0.718 . . . . 72.41 110.809 -179.338 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 94.6 mt -68.34 -39.36 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-N 115.039 -0.982 . . . . 62.13 110.456 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -175.47 -61.38 0.06 OUTLIER Glycine 0 C--N 1.344 1.02 0 O-C-N 123.311 0.382 . . . . 65.14 112.4 177.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -164.33 151.73 11.9 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.68 0.792 . . . . 72.15 109.006 -175.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.445 HG23 ' HB3' ' A' ' 105' ' ' LEU . 7.1 p -127.85 142.89 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.015 0.926 . . . . 64.45 108.607 173.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.406 ' HG ' ' H ' ' A' ' 99' ' ' GLN . 49.4 tp -139.79 150.83 45.21 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 109.063 -0.717 . . . . 74.1 109.063 177.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -64.67 -41.8 95.83 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.236 1.015 . . . . 55.25 109.947 178.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.406 ' H ' ' HG ' ' A' ' 97' ' ' LEU . 1.5 mp0 -78.57 81.36 4.9 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 107.984 -1.117 . . . . 54.32 107.984 170.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.434 ' HA3' HD23 ' A' ' 105' ' ' LEU . . . -86.26 110.08 3.45 Favored Glycine 0 C--N 1.343 0.95 0 CA-C-O 118.247 -1.307 . . . . 65.35 111.748 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.68 97.49 0.06 OUTLIER 'Trans proline' 0 C--N 1.378 2.106 0 C-N-CA 122.967 2.445 . . . . 35.33 113.271 -178.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.9 m 56.57 52.37 9.88 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 124.784 1.234 . . . . 64.45 111.908 174.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 80.73 -13.27 0.94 Allowed 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 125.51 1.524 . . . . 62.32 113.399 177.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -87.41 95.93 2.12 Favored Glycine 0 C--N 1.345 1.067 0 N-CA-C 111.987 -0.445 . . . . 53.15 111.987 177.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.445 ' HB3' HG23 ' A' ' 96' ' ' VAL . 88.1 mt -69.81 -35.55 74.91 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.284 0.634 . . . . 52.45 111.163 178.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 33.3 m -68.74 147.44 97.93 Favored Pre-proline 0 N--CA 1.481 1.089 0 C-N-CA 123.442 0.697 . . . . 63.3 110.931 175.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -58.47 110.01 0.59 Allowed 'Trans proline' 0 C--N 1.372 1.784 0 C-N-CA 122.383 2.055 . . . . 74.32 110.444 166.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -68.18 97.34 0.7 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.233 0.613 . . . . 71.24 109.632 -174.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -99.89 -77.73 1.32 Allowed Glycine 0 C--N 1.335 0.509 0 N-CA-C 110.245 -1.142 . . . . 52.44 110.245 167.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 71.8 m -158.41 175.79 13.25 Favored 'General case' 0 C--O 1.243 0.748 0 C-N-CA 124.592 1.157 . . . . 72.53 109.937 177.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 108.02 167.57 21.46 Favored Glycine 0 C--N 1.346 1.096 0 CA-C-N 115.803 -0.635 . . . . 73.23 114.215 169.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -74.73 -5.6 74.77 Favored Glycine 0 C--N 1.352 1.436 0 CA-C-O 120.04 -0.311 . . . . 64.32 113.398 178.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 39.2 pt -58.97 -31.63 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 123.493 0.717 . . . . 75.24 111.261 172.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -53.97 -45.51 71.39 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.25 1.02 . . . . 74.41 109.946 174.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -58.03 -60.16 9.47 Favored Glycine 0 C--N 1.352 1.45 0 CA-C-N 114.857 -1.065 . . . . 53.24 112.217 177.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 54.9 ttp -54.12 -48.79 70.38 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.522 0.729 . . . . 74.31 112.299 -177.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 49.3 p -66.37 -53.87 31.01 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 116.26 -0.427 . . . . 53.12 111.599 -175.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 69.5 m -60.2 -41.6 93.33 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.173 0.589 . . . . 45.42 111.291 -177.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.76 -55.35 27.38 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 115.469 -0.787 . . . . 72.13 111.29 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . 0.629 ' HB3' HD11 ' A' ' 86' ' ' LEU . 27.4 mt -72.33 -27.41 62.4 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 112.819 0.674 . . . . 74.53 112.819 -174.157 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 41.6 p -77.09 -39.13 50.74 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 118.658 0.663 . . . . 72.13 110.457 176.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -60.02 -41.06 91.38 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 121.221 0.534 . . . . 71.01 109.676 170.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1008 ' ' TRP . . . . . 0.496 ' HE1' HD13 ' A' ' 82' ' ' LEU . 0.4 OUTLIER -63.5 -45.76 89.21 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 114.486 -1.234 . . . . 75.41 110.315 177.769 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1009 ' ' LEU . . . . . 0.481 HD21 ' HB2' ' A' ' 82' ' ' LEU . 38.5 mt -68.09 -35.15 77.7 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 122.741 0.416 . . . . 74.22 112.075 -177.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 6.9 t -78.66 -23.12 45.9 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 109.984 -0.376 . . . . 75.11 109.984 176.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -77.59 -28.73 51.69 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.381 0.672 . . . . 71.25 111.029 172.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1012 ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' 1008 ' ' TRP . 22.5 mt -70.44 -49.46 48.57 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 108.279 -1.008 . . . . 54.43 108.279 173.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 19.4 t70 -61.18 -32.38 72.12 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 114.076 -1.42 . . . . 74.22 110.844 177.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -71.25 -46.52 60.81 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.062 0.545 . . . . 52.14 110.437 178.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 38.0 t80 -59.66 -57.85 11.14 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.418 0.687 . . . . 75.5 110.175 177.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -42.78 -50.69 5.59 Favored 'General case' 0 C--O 1.242 0.675 0 C-N-CA 125.845 1.658 . . . . 42.42 112.325 172.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1017 ' ' ALA . . . . . 0.426 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -61.24 -61.64 2.41 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 123.933 0.771 . . . . 53.42 111.382 179.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -60.47 -33.99 73.38 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.067 0.947 . . . . 71.31 112.1 -173.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1019 ' ' MET . . . . . 0.741 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 1.9 ptm -87.26 -21.73 25.62 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 116.224 -0.443 . . . . 73.04 111.037 -174.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -78.59 -18.99 53.75 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 110.267 -0.272 . . . . 73.02 110.267 163.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1021 ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' 1017 ' ' ALA . 97.4 mt -87.74 -11.68 47.43 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.814 0.846 . . . . 75.31 111.38 174.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1022 ' ' LEU . . . . . 0.741 ' HG ' ' HA ' ' A' 1019 ' ' MET . 34.8 mt -43.51 110.53 0.95 Allowed Pre-proline 0 N--CA 1.498 1.954 0 C-N-CA 123.178 0.591 . . . . 51.32 111.337 172.373 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1023 ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' 1022 ' ' LEU . 51.5 Cg_exo -56.16 -45.88 34.85 Favored 'Trans proline' 0 C--N 1.379 2.181 0 C-N-CA 123.58 2.853 . . . . 62.41 113.557 -169.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -169.03 94.54 0.32 Allowed 'General case' 0 CA--C 1.542 0.661 0 O-C-N 123.696 0.623 . . . . 71.24 110.872 -177.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1025 ' ' VAL . . . . . 0.455 HG11 HD13 ' A' 1022 ' ' LEU . 3.5 p . . . . . 0 CA--C 1.559 1.309 0 CA-C-O 117.968 -1.015 . . . . 72.52 109.556 168.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ttt . . . . . 0 N--CA 1.484 1.244 0 CA-C-O 119.834 -0.127 . . . . 72.02 111.09 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.2 t -59.75 -37.19 78.3 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 111.905 0.335 . . . . 54.31 111.905 -174.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 p -62.9 -45.71 91.25 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 122.984 0.514 . . . . 45.13 110.519 177.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 33.7 m -55.39 -54.37 44.55 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 124.583 1.177 . . . . 45.13 111.524 176.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.14 -54.81 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-N 115.339 -0.846 . . . . 72.13 110.862 -174.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -56.15 -53.25 59.32 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 123.725 0.64 . . . . 72.3 110.791 -178.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -60.39 -54.4 46.13 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.594 0.758 . . . . 73.2 111.192 -172.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.535 HD11 HG12 ' A' ' 60' ' ' ILE . 90.1 mt -62.89 -46.38 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 123.388 0.675 . . . . 53.25 111.235 -178.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.77 -36.62 84.91 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 122.871 0.468 . . . . 72.44 111.681 -175.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.472 ' O ' HG13 ' A' ' 14' ' ' ILE . 57.4 mtt180 -73.16 -48.86 31.79 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 123.444 0.465 . . . . 75.2 109.821 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 62.2 m95 -59.65 -40.7 88.58 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 111.955 0.354 . . . . 61.53 111.955 176.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.477 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 51.6 tt0 -59.65 -48.17 82.72 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.379 1.071 . . . . 72.43 109.841 176.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -58.35 -45.59 87.89 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 124.361 1.038 . . . . 63.12 110.856 -179.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.526 HG22 ' OG1' ' A' ' 71' ' ' THR . 75.6 mt -65.92 -38.93 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 123.923 0.889 . . . . 74.22 110.487 -178.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.73 -44.24 86.57 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.165 0.586 . . . . 71.33 111.586 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 85.1 mt -69.75 -43.53 72.07 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 115.58 -0.736 . . . . 74.24 110.467 -178.442 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 69.1 mt -61.31 -51.88 67.01 Favored 'General case' 0 C--O 1.214 -0.811 0 O-C-N 123.944 0.778 . . . . 75.34 110.197 177.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.434 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . 77.6 p -63.38 -35.75 81.43 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.24 0.616 . . . . 64.44 111.806 -177.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -62.78 -52.04 64.73 Favored 'General case' 0 C--O 1.251 1.132 0 C-N-CA 123.216 0.606 . . . . 74.34 110.269 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.539 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 50.4 m -55.31 -55.14 34.91 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 124.461 1.101 . . . . 75.44 110.1 176.224 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.58 HD21 ' HB2' ' A' ' 36' ' ' GLN . 85.7 mt -60.74 -32.65 71.92 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.365 1.466 . . . . 54.43 111.619 -176.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.717 HD22 ' HA ' ' A' ' 74' ' ' ASN . 37.4 tp -64.75 -54.04 37.72 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 109.335 -0.616 . . . . 73.44 109.335 176.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -57.32 -36.82 71.58 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 124.276 0.985 . . . . 53.25 111.028 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 20' ' ' SER . 95.7 mt -64.97 -45.22 86.59 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.421 0.688 . . . . 74.04 110.747 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.488 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -67.78 -34.7 77.3 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 122.813 0.445 . . . . 74.11 111.2 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -70.14 -28.15 65.13 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 124.007 0.923 . . . . 72.05 111.072 174.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.6 mtp180 -104.14 8.66 36.39 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 124.004 0.921 . . . . 75.44 112.254 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.7 20.26 77.23 Favored Glycine 0 C--N 1.351 1.408 0 N-CA-C 115.258 0.863 . . . . 62.24 115.258 173.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.515 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 41.9 mm-40 -81.53 68.27 7.81 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.939 0.895 . . . . 74.5 109.965 174.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -68.31 -30.31 69.27 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.307 0.643 . . . . 74.14 110.658 -176.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -62.84 -47.85 81.63 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.073 0.949 . . . . 74.32 110.576 176.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.2 mt -70.85 -24.46 62.53 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 115.583 -0.735 . . . . 71.13 111.53 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 78.4 mt -63.4 -54.87 29.89 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 109.096 -0.705 . . . . 72.14 109.096 169.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.445 ' HB3' HH11 ' A' 1004 ' ' ARG . 89.8 mt -66.92 -21.52 65.99 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.749 0.82 . . . . 50.15 112.272 -177.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -71.93 -58.0 3.82 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.535 0.734 . . . . 65.25 110.239 175.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.58 ' HB2' HD21 ' A' ' 21' ' ' LEU . 12.1 mt-30 -87.19 -9.04 56.2 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.602 1.161 . . . . 63.21 112.132 -173.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.402 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 1.3 tm-20 -47.03 -54.86 9.31 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 125.292 1.437 . . . . 72.41 112.088 176.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.4 p -56.15 -43.07 75.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 O-C-N 123.841 0.713 . . . . 62.2 111.57 178.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.5 m -63.77 -40.94 97.92 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.707 0.803 . . . . 63.32 111.168 -178.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.434 ' CE2' ' HB3' ' A' ' 18' ' ' SER . 48.1 t80 -69.46 -47.35 64.26 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.11 -0.95 . . . . 72.23 111.57 -177.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.425 HD11 ' HA ' ' A' 1008 ' ' TRP . 46.0 mt -70.72 -28.75 64.96 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 116.179 -0.464 . . . . 33.4 110.647 -178.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -71.13 -43.98 66.5 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.745 0.818 . . . . 75.53 110.677 176.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.45 ' HA ' HG22 ' A' ' 46' ' ' THR . 46.7 p -67.01 -37.45 84.2 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.677 0.391 . . . . 73.43 110.895 178.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 26.5 mt -57.1 -51.7 65.66 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 124.35 1.06 . . . . 71.31 110.575 171.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -57.28 -46.46 83.1 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 114.745 -1.116 . . . . 62.14 111.038 -177.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.45 HG22 ' HA ' ' A' ' 43' ' ' SER . 7.5 t -78.88 -25.85 43.92 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 115.575 -0.739 . . . . 74.45 112.086 -173.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.1 p -76.51 -35.51 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 CA-C-N 118.649 0.659 . . . . 74.42 110.149 176.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 33.7 ttm -75.73 -27.82 58.29 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.635 -0.712 . . . . 60.15 109.463 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -65.41 -36.51 84.15 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.291 1.036 . . . . 73.23 111.094 169.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -113.83 72.07 0.77 Allowed 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 107.989 -1.115 . . . . 54.51 107.989 -177.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.2 pm0 -91.3 130.02 37.22 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 115.276 -0.874 . . . . 75.25 108.748 177.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 65.4 p -90.12 142.3 28.54 Favored Pre-proline 0 CA--C 1.549 0.907 0 N-CA-C 109.511 -0.551 . . . . 64.32 109.511 173.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -57.45 165.55 5.73 Favored 'Trans proline' 0 CA--C 1.567 2.138 0 C-N-CA 123.234 2.623 . . . . 43.33 113.868 172.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_exo -47.08 -45.9 20.33 Favored 'Trans proline' 0 C--N 1.385 2.479 0 C-N-CA 124.297 3.331 . . . . 75.4 114.673 176.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.93 81.44 0.03 OUTLIER Glycine 0 C--N 1.355 1.608 0 O-C-N 123.446 0.466 . . . . 63.34 113.038 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.4 tp -128.42 150.22 33.94 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 C-N-CA 124.515 1.126 . . . . 73.12 108.826 -174.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.8 p -74.51 159.29 32.42 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.078 0.951 . . . . 62.33 111.931 -176.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -56.07 -52.31 64.71 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.712 1.205 . . . . 71.42 113.019 -175.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.4 m -63.74 -47.26 81.76 Favored 'General case' 0 C--O 1.246 0.885 0 O-C-N 123.864 0.728 . . . . 75.21 111.404 -173.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.535 HG12 HD11 ' A' ' 8' ' ' ILE . 64.2 mt -60.2 -56.01 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 O-C-N 123.809 0.693 . . . . 73.22 109.694 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -57.6 -41.16 80.66 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 124.062 0.852 . . . . 72.34 110.768 -176.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -66.88 -53.99 26.73 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.606 0.762 . . . . 70.51 110.817 -176.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 71.9 mtm -63.14 -44.43 95.58 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 123.842 0.713 . . . . 74.32 110.728 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.0 t -61.93 -39.6 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 123.817 0.847 . . . . 73.3 110.862 177.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.98 -33.99 77.37 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 123.36 0.413 . . . . 41.51 110.558 176.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.23 -47.19 90.19 Favored Glycine 0 C--N 1.353 1.485 0 O-C-N 123.948 0.78 . . . . 25.23 111.486 172.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -63.65 -33.56 75.91 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.564 0.746 . . . . 60.22 111.228 178.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 24.6 mt -68.77 -46.83 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 124.922 1.289 . . . . 75.23 110.39 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -61.13 -46.35 90.92 Favored 'General case' 0 C--O 1.252 1.196 0 C-N-CA 122.984 0.514 . . . . 73.31 110.398 177.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -56.57 -60.05 4.1 Favored 'General case' 0 C--N 1.356 0.862 0 O-C-N 124.447 1.092 . . . . 54.21 110.233 178.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.526 ' OG1' HG22 ' A' ' 14' ' ' ILE . 11.1 t -68.75 -38.13 79.9 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 123.495 0.497 . . . . 74.23 112.305 -169.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.409 HD21 ' SD ' ' A' 1019 ' ' MET . 39.9 mt -67.16 -41.12 86.56 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 123.349 0.405 . . . . 62.11 111.601 178.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -73.38 -39.92 64.75 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 120.638 0.256 . . . . 74.43 111.333 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.717 ' HA ' HD22 ' A' ' 22' ' ' LEU . 94.3 m-20 -59.43 -48.21 82.5 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.944 0.898 . . . . 63.22 110.337 174.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -68.95 -32.43 72.03 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.824 1.25 . . . . 75.21 111.077 -179.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -63.36 -48.3 78.49 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.467 0.707 . . . . 75.43 109.887 177.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 96.5 mt -67.13 -38.84 86.27 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 115.193 -0.912 . . . . 75.12 110.791 177.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 25.5 mt -57.7 -44.21 85.73 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.972 0.909 . . . . 65.54 111.083 172.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -65.7 -52.75 48.91 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.142 0.977 . . . . 75.2 108.741 -173.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.54 -44.49 95.06 Favored Glycine 0 C--N 1.354 1.552 0 O-C-N 124.204 0.94 . . . . 64.43 113.471 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.488 HD22 ' HB1' ' A' ' 25' ' ' ALA . 10.4 tt -61.95 -56.44 19.15 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.789 0.835 . . . . 71.42 109.994 -178.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 23.9 mt -67.79 -25.09 65.42 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.978 0.911 . . . . 54.13 111.933 -177.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 -67.85 -54.34 19.7 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 123.13 0.269 . . . . 60.31 110.37 174.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.458 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 25.4 mt-30 -63.78 -26.44 68.64 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 123.83 0.707 . . . . 61.45 111.492 176.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -74.95 -50.2 17.5 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 109.054 -0.721 . . . . 73.34 109.054 -177.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.531 HD23 HD12 ' A' ' 89' ' ' LEU . 97.6 mt -66.32 -27.72 68.12 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.329 0.652 . . . . 74.41 111.068 176.102 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -61.37 -55.25 33.69 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.093 0.957 . . . . 72.34 109.931 174.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.538 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 50.9 mt-10 -54.81 -47.77 73.61 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 115.11 -0.95 . . . . 74.04 110.594 177.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.531 HD12 HD23 ' A' ' 86' ' ' LEU . 96.3 mt -56.79 -43.42 80.89 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 124.174 0.921 . . . . 75.43 111.568 178.119 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.5 m -61.62 -37.96 85.89 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.872 0.469 . . . . 74.4 111.22 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.544 ' HA ' ' HB3' ' A' ' 95' ' ' GLN . 32.7 t -65.44 -37.78 87.91 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 115.702 -0.681 . . . . 63.1 111.327 175.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 48.0 mt -71.08 -50.67 31.28 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.322 0.649 . . . . 73.33 110.863 -178.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 76.2 mt -63.58 -46.93 93.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 124.777 1.231 . . . . 72.51 110.587 -176.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 159.5 99.33 0.15 Allowed Glycine 0 C--N 1.338 0.65 0 N-CA-C 110.642 -0.983 . . . . 40.52 110.642 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.544 ' HB3' ' HA ' ' A' ' 91' ' ' SER . 10.2 pt20 -77.76 76.4 4.29 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-O 121.702 0.763 . . . . 71.13 111.334 -178.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.9 p -67.47 -38.61 80.98 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 N-CA-C 107.866 -1.161 . . . . 73.53 107.866 163.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 97.3 mt -129.08 118.08 21.91 Favored 'General case' 0 C--O 1.242 0.678 0 N-CA-C 106.856 -1.535 . . . . 74.12 106.856 165.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -52.26 -38.87 59.41 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.586 1.154 . . . . 73.43 110.886 173.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -160.18 144.96 14.72 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-N 114.922 -1.036 . . . . 73.45 108.554 175.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 177.14 157.85 19.06 Favored Glycine 0 CA--C 1.532 1.095 0 CA-C-O 119.037 -0.868 . . . . 65.4 111.607 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -70.08 89.48 0.56 Allowed 'Trans proline' 0 C--N 1.374 1.895 0 C-N-CA 122.974 2.45 . . . . 71.42 111.487 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 44.7 t -133.05 144.47 50.05 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.902 0.881 . . . . 74.34 110.225 -175.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -72.49 -18.27 61.68 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.337 1.055 . . . . 70.14 111.723 175.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.38 120.24 0.97 Allowed Glycine 0 C--N 1.345 1.065 0 N-CA-C 110.162 -1.175 . . . . 71.41 110.162 -178.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.1 -32.12 73.42 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.295 0.638 . . . . 72.13 110.913 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.499 HG21 ' HA ' ' A' ' 114' ' ' GLU . 34.9 m -57.5 147.14 61.21 Favored Pre-proline 0 CA--C 1.559 1.311 0 C-N-CA 124.774 1.23 . . . . 73.23 112.838 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.11 127.22 14.78 Favored 'Trans proline' 0 C--N 1.377 2.075 0 C-N-CA 122.45 2.1 . . . . 60.12 110.789 170.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 22.1 mtm-85 -103.37 127.66 50.66 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.867 0.867 . . . . 74.21 109.263 -179.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 164.96 23.01 0.02 OUTLIER Glycine 0 C--N 1.342 0.869 0 O-C-N 123.325 0.39 . . . . 61.23 112.947 175.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.9 m -138.65 -72.09 0.41 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.676 0.791 . . . . 63.21 109.729 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 129.74 43.71 0.2 Allowed Glycine 0 C--N 1.353 1.516 0 C-N-CA 123.124 0.393 . . . . 51.25 112.649 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -107.35 -114.79 3.89 Favored Glycine 0 C--N 1.349 1.276 0 CA-C-O 119.87 -0.406 . . . . 64.42 112.588 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 17.7 tt -69.92 -27.06 31.52 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 C-N-CA 123.969 0.908 . . . . 72.2 110.285 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.499 ' HA ' HG21 ' A' ' 106' ' ' VAL . 11.7 pt-20 -54.75 -34.87 63.1 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 114.433 -1.258 . . . . 75.44 110.955 168.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -59.38 -53.45 46.12 Favored Glycine 0 C--N 1.353 1.487 0 O-C-N 123.957 0.786 . . . . 74.01 111.83 177.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 44.3 ttp -58.59 -47.52 84.01 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.437 0.695 . . . . 74.01 111.219 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 32.6 p -65.51 -44.32 87.37 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 112.126 0.417 . . . . 44.24 112.126 -175.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 42.8 p -69.84 -42.27 73.81 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.358 0.263 . . . . 75.02 110.893 -177.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1004 ' ' ARG . . . . . 0.445 HH11 ' HB3' ' A' ' 34' ' ' LEU . 95.4 mtt180 -60.22 -48.59 81.09 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 123.751 0.657 . . . . 74.52 110.68 177.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . 0.536 ' HA ' ' HB3' ' A' 1008 ' ' TRP . 54.0 mt -73.94 -29.42 62.01 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 123.801 0.688 . . . . 70.52 112.502 -175.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 32.2 p -74.38 -39.59 62.62 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 118.593 0.633 . . . . 51.11 110.522 176.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 40.3 mmm-85 -64.08 -37.6 88.04 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-O 121.157 0.503 . . . . 62.5 110.187 171.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1008 ' ' TRP . . . . . 0.536 ' HB3' ' HA ' ' A' 1005 ' ' LEU . 1.6 t-105 -61.88 -49.33 76.66 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 114.72 -1.127 . . . . 70.51 110.258 177.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1009 ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' 1005 ' ' LEU . 80.2 mt -70.75 -35.24 72.57 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 109.175 -0.676 . . . . 75.34 109.175 -175.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 21.6 m -57.65 -47.09 83.23 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.366 1.067 . . . . 72.14 110.436 173.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -73.1 -28.4 62.25 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.283 0.633 . . . . 74.51 111.499 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1012 ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' 1008 ' ' TRP . 15.9 mt -66.36 -52.69 44.37 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 121.338 0.59 . . . . 54.22 109.686 175.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 23.8 t70 -64.35 -38.61 91.64 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 114.463 -1.244 . . . . 75.45 110.553 -176.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 55.1 t30 -67.21 -44.07 80.46 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 115.655 -0.702 . . . . 70.52 110.745 178.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 45.1 t80 -61.3 -60.52 3.61 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 123.715 0.634 . . . . 73.11 109.846 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -46.53 -50.72 16.76 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.872 1.269 . . . . 40.31 112.22 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -60.22 -59.92 4.65 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 124.09 0.869 . . . . 52.13 111.711 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -63.36 -37.19 86.29 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.987 0.915 . . . . 73.43 111.789 -174.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1019 ' ' MET . . . . . 0.499 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.3 OUTLIER -81.26 -22.25 38.83 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.816 -0.629 . . . . 62.21 110.813 -175.569 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -70.22 -36.66 74.7 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 109.546 -0.539 . . . . 42.12 109.546 166.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.55 -25.88 66.03 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.553 0.741 . . . . 71.31 111.787 176.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1022 ' ' LEU . . . . . 0.499 ' HG ' ' HA ' ' A' 1019 ' ' MET . 85.6 mt -50.73 116.61 7.24 Favored Pre-proline 0 N--CA 1.495 1.787 0 C-N-CA 123.109 0.563 . . . . 73.55 111.358 170.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -98.8 28.3 0.15 Allowed 'Trans proline' 0 C--N 1.376 2.008 0 C-N-CA 123.719 2.946 . . . . 72.05 111.801 170.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -91.7 -64.78 1.07 Allowed 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.571 0.748 . . . . 60.53 111.269 -172.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1025 ' ' VAL . . . . . . . . . . . . . 42.8 t . . . . . 0 C--O 1.252 1.233 0 C-N-CA 123.902 0.881 . . . . 72.24 109.515 -176.965 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 119.732 -0.175 . . . . 70.22 110.908 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.4 p -61.84 -50.62 71.55 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 112.83 0.678 . . . . 41.41 112.83 -172.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 m -63.49 -37.04 85.77 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.188 0.595 . . . . 63.13 111.58 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.6 m -63.76 -55.6 21.9 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.137 0.975 . . . . 70.43 111.15 178.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 75.5 t -57.57 -49.01 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 O-C-N 123.647 0.592 . . . . 41.53 110.084 178.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.419 ' HG3' ' CZ ' ' A' ' 10' ' ' ARG . 8.6 tp10 -53.73 -50.53 65.76 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.25 1.02 . . . . 53.14 111.645 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -68.37 -55.2 12.8 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.776 0.83 . . . . 61.32 111.007 -174.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.635 HD11 HG12 ' A' ' 60' ' ' ILE . 84.6 mt -61.1 -42.31 92.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 123.959 0.904 . . . . 54.13 111.278 -178.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -74.36 -34.43 63.38 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.8 0.44 . . . . 73.11 111.232 -174.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.84 HH12 ' HB2' ' A' ' 50' ' ' LYS . 82.5 mtm180 -66.65 -46.28 76.23 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 119.274 -0.393 . . . . 74.55 110.108 173.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 57.9 m95 -64.16 -33.25 75.35 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 123.134 0.271 . . . . 75.02 111.684 177.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -67.12 -40.41 86.83 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.591 0.756 . . . . 71.0 109.206 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -66.21 -42.61 88.52 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.346 -0.843 . . . . 73.54 110.369 178.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 10' ' ' ARG . 84.3 mt -68.96 -33.93 61.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.79 0.836 . . . . 74.03 110.111 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.83 -52.03 58.91 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.326 0.65 . . . . 53.2 110.328 176.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.6 mt -61.02 -44.39 97.48 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 124.285 0.991 . . . . 64.11 110.749 178.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 66.6 mt -61.56 -50.66 71.74 Favored 'General case' 0 C--O 1.211 -0.946 0 C-N-CA 123.218 0.607 . . . . 55.24 110.157 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 85.7 p -63.34 -43.79 96.71 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.162 0.585 . . . . 73.4 112.222 -175.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -71.0 -38.59 72.67 Favored 'General case' 0 C--O 1.247 0.964 0 O-C-N 123.417 0.448 . . . . 64.51 111.197 -178.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.527 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 70.4 m -64.8 -40.9 95.98 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 122.822 0.449 . . . . 64.43 110.069 174.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.595 HD13 ' HH2' ' A' 1008 ' ' TRP . 41.0 mt -65.23 -34.85 79.33 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.892 0.877 . . . . 73.4 110.492 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.2 tp -67.17 -39.62 86.5 Favored 'General case' 0 C--N 1.349 0.571 0 N-CA-C 109.77 -0.456 . . . . 73.22 109.77 176.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -58.85 -45.49 89.99 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 123.655 0.597 . . . . 63.33 110.337 173.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 20' ' ' SER . 75.9 mt -63.63 -41.1 98.29 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.095 0.958 . . . . 42.42 111.359 -178.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.516 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -70.75 -46.66 62.57 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.08 0.552 . . . . 72.24 111.314 -177.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -66.38 -32.79 74.4 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 123.941 0.776 . . . . 73.44 111.429 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -88.85 -22.8 23.01 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.344 0.658 . . . . 74.24 110.181 -177.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.97 16.99 24.23 Favored Glycine 0 C--N 1.354 1.545 0 N-CA-C 115.774 1.07 . . . . 73.03 115.774 173.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -77.78 83.59 4.13 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-N 118.793 1.297 . . . . 54.1 110.009 170.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 39.1 m95 -72.62 -31.06 64.86 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.507 0.723 . . . . 74.11 110.256 178.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -64.17 -43.56 94.78 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.69 0.796 . . . . 73.14 111.203 177.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 76.8 mt -76.69 -21.87 54.74 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 115.967 -0.56 . . . . 75.41 111.244 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.438 HD13 HD21 ' A' ' 82' ' ' LEU . 74.7 mt -63.93 -47.43 80.54 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 109.365 -0.605 . . . . 75.41 109.365 167.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.0 mt -68.7 -29.43 67.87 Favored 'General case' 0 N--CA 1.484 1.256 0 O-C-N 123.777 0.673 . . . . 73.42 112.19 177.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -69.47 -52.64 24.73 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.96 0.504 . . . . 62.43 110.067 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.475 HE21 ' N ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -80.3 -12.67 59.58 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-O 118.668 -0.682 . . . . 71.22 111.34 179.569 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.68 -56.58 6.97 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 124.439 1.096 . . . . 70.43 111.894 176.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.7 m -61.58 -37.21 77.36 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 CA-C-N 115.361 -0.836 . . . . 75.03 112.001 -178.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.9 m -71.96 -38.97 69.66 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.611 0.765 . . . . 64.04 111.408 -178.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -73.57 -46.15 49.12 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.059 0.944 . . . . 75.42 110.222 -175.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.596 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 78.9 mt -67.07 -39.6 86.89 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.73 -0.668 . . . . 72.12 110.014 178.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -60.43 -46.5 89.83 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 122.903 0.481 . . . . 70.02 111.397 176.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.2 p -63.53 -37.77 88.6 Favored 'General case' 0 C--O 1.25 1.109 0 C-N-CA 123.001 0.52 . . . . 72.31 110.819 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.8 mt -57.99 -47.52 86.43 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 C-N-CA 124.2 1.0 . . . . 72.32 111.026 171.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.596 ' HG2' ' O ' ' A' ' 41' ' ' LEU . 6.3 mm-40 -63.94 -48.93 74.57 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 122.701 0.401 . . . . 72.52 111.015 -176.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.41 HG23 ' HD2' ' A' ' 10' ' ' ARG . 4.8 t -65.5 -39.8 92.31 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 112.059 0.392 . . . . 74.31 112.059 -177.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 p -74.35 -32.52 31.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 CA-C-N 118.125 0.42 . . . . 73.32 111.368 -177.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 49.1 ttm -80.1 -21.13 43.61 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.213 0.605 . . . . 64.23 110.534 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -79.73 -37.97 34.36 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 122.955 0.502 . . . . 73.14 110.283 172.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.84 ' HB2' HH12 ' A' ' 10' ' ' ARG . 14.5 mmmm -123.26 83.88 2.19 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.504 0.668 . . . . 73.04 109.461 -176.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.14 159.36 15.17 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 114.885 -1.052 . . . . 75.01 109.034 178.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 40.7 p -82.62 153.31 67.81 Favored Pre-proline 0 CA--C 1.55 0.943 0 N-CA-C 108.855 -0.795 . . . . 74.22 108.855 169.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -63.58 160.13 37.5 Favored 'Trans proline' 0 CA--C 1.557 1.628 0 C-N-CA 122.69 2.26 . . . . 62.23 112.948 173.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_exo -43.56 -45.64 10.48 Favored 'Trans proline' 0 C--N 1.384 2.413 0 C-N-CA 124.089 3.192 . . . . 65.45 113.802 171.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -67.82 77.0 0.21 Allowed Glycine 0 CA--C 1.532 1.116 0 O-C-N 123.655 0.597 . . . . 73.21 112.497 173.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.4 tp -124.16 141.63 43.69 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.864 0 C-N-CA 125.138 1.375 . . . . 75.41 107.909 -177.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.9 t -66.79 152.05 46.29 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.875 0.47 . . . . 72.25 111.624 -177.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.9 mtp-105 -64.15 -23.68 67.41 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 123.582 0.551 . . . . 74.03 112.073 -175.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.3 m -64.93 -59.66 3.93 Favored 'General case' 0 C--O 1.245 0.834 0 C-N-CA 122.566 0.347 . . . . 73.13 110.241 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.635 HG12 HD11 ' A' ' 8' ' ' ILE . 77.8 mt -61.5 -48.81 87.09 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 C-N-CA 123.486 0.714 . . . . 74.33 109.511 179.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -55.27 -44.01 75.23 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.866 0.867 . . . . 73.34 111.873 -178.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -71.02 -47.37 59.06 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 122.877 0.471 . . . . 75.03 111.444 -178.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 75.4 mtm -61.81 -47.53 84.71 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-O 120.88 0.372 . . . . 62.23 110.357 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 39.7 t -64.37 -36.29 76.75 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.929 0 C-N-CA 124.343 1.057 . . . . 63.11 111.1 176.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.46 -27.35 66.09 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 118.394 0.543 . . . . 42.52 111.248 177.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.75 -43.58 59.01 Favored Glycine 0 C--N 1.347 1.185 0 N-CA-C 111.153 -0.779 . . . . 73.44 111.153 171.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -67.69 -27.79 67.13 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.648 0.779 . . . . 72.42 111.323 176.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.453 ' HA ' HG22 ' A' ' 71' ' ' THR . 12.0 mt -75.85 -38.24 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.597 1.159 . . . . 74.25 109.651 178.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.16 -45.77 91.93 Favored 'General case' 0 C--N 1.351 0.631 0 N-CA-C 108.629 -0.878 . . . . 75.43 108.629 172.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -59.12 -54.84 42.46 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 123.979 0.799 . . . . 51.01 110.898 -178.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.453 HG22 ' HA ' ' A' ' 68' ' ' ILE . 8.9 t -61.69 -48.4 80.97 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-O 118.955 -0.545 . . . . 65.43 111.312 -176.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.2 mt -67.75 -38.84 84.03 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 112.761 0.652 . . . . 43.45 112.761 -176.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -73.76 -52.42 13.21 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.105 0.562 . . . . 73.23 110.273 -175.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -65.23 -34.14 77.65 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 115.1 -0.955 . . . . 74.12 111.104 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -75.39 -31.26 60.39 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.237 0.615 . . . . 72.22 111.437 176.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -65.02 -40.57 95.06 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-O 121.429 0.633 . . . . 64.35 109.685 175.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 80.2 mt -71.31 -37.96 71.76 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 115.016 -0.993 . . . . 74.13 111.061 176.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 35.6 mt -58.41 -41.81 85.77 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.233 0.613 . . . . 63.43 110.452 169.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.489 ' HE3' ' O ' ' A' 1009 ' ' LEU . 19.3 tptm -63.44 -50.27 70.43 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 124.383 1.073 . . . . 72.15 109.775 -175.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.97 -54.49 34.69 Favored Glycine 0 C--N 1.346 1.12 0 O-C-N 124.689 1.243 . . . . 72.13 112.818 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.516 HD22 ' HB1' ' A' ' 25' ' ' ALA . 9.7 tt -55.97 -57.79 10.62 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 123.863 0.865 . . . . 73.14 110.755 -178.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.511 HD13 ' HE1' ' A' 1008 ' ' TRP . 44.1 mt -65.2 -32.81 74.67 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.853 0.861 . . . . 71.34 112.334 -173.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -63.11 -49.83 72.87 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 109.682 -0.488 . . . . 74.44 109.682 173.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -65.67 -36.19 82.94 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 123.69 0.619 . . . . 74.22 111.839 -178.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.427 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 11.8 mmm180 -71.74 -48.0 49.99 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 122.792 0.437 . . . . 64.54 110.24 -177.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.55 HD11 ' HB3' ' A' 1005 ' ' LEU . 97.5 mt -63.74 -31.19 72.28 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 122.7 0.4 . . . . 75.24 111.359 176.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -58.84 -55.05 40.17 Favored 'General case' 0 C--O 1.249 1.046 0 C-N-CA 124.008 0.923 . . . . 52.21 109.848 173.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.527 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 42.0 mt-10 -57.85 -49.68 75.87 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-N 114.659 -1.155 . . . . 75.4 110.904 177.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 91.8 mt -57.42 -45.1 84.98 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 124.179 0.924 . . . . 74.45 111.638 -175.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.9 m -66.22 -34.96 79.19 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 122.804 0.441 . . . . 72.12 110.965 177.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.4 t -68.84 -31.2 70.0 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 122.705 0.402 . . . . 53.45 111.635 173.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 61.3 mt -73.68 -36.98 65.37 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.318 0.647 . . . . 62.32 110.355 179.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 78.0 mt -74.74 -31.36 26.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.141 0.977 . . . . 72.43 110.12 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 177.28 -80.53 0.07 OUTLIER Glycine 0 C--N 1.346 1.107 0 CA-C-N 116.044 -0.526 . . . . 61.02 112.021 174.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -135.5 126.97 28.65 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 123.844 0.858 . . . . 73.53 109.642 -177.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.9 p -81.04 122.16 35.76 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 N-CA-C 108.505 -0.924 . . . . 73.11 108.505 166.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.636 HD23 ' H ' ' A' ' 104' ' ' GLY . 25.3 tp -84.91 153.33 22.92 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 115.769 -0.65 . . . . 54.22 109.545 176.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -53.85 129.58 34.19 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.38 1.072 . . . . 71.24 111.057 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -59.21 145.2 43.66 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.774 0.829 . . . . 65.42 112.771 -171.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 151.43 -176.3 29.93 Favored Glycine 0 CA--C 1.524 0.615 0 CA-C-N 115.067 -0.969 . . . . 62.11 111.539 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -64.65 -27.64 60.8 Favored 'Trans proline' 0 C--N 1.366 1.453 0 C-N-CA 122.837 2.358 . . . . 62.52 112.018 174.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 54.6 p -87.95 -2.49 58.64 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.281 1.032 . . . . 51.35 112.284 -178.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.23 98.69 1.06 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.109 0.564 . . . . 72.53 110.264 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.636 ' H ' HD23 ' A' ' 97' ' ' LEU . . . -79.58 68.49 3.17 Favored Glycine 0 C--N 1.347 1.15 0 CA-C-N 115.947 -0.57 . . . . 74.31 112.468 177.135 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 59.9 mt -75.89 102.32 5.5 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 108.492 -0.929 . . . . 74.14 108.492 176.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 58.6 t 68.35 101.99 0.04 OUTLIER Pre-proline 0 CA--C 1.556 1.175 0 C-N-CA 124.842 1.257 . . . . 71.04 109.558 -169.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -78.06 33.87 0.47 Allowed 'Trans proline' 0 C--N 1.379 2.152 0 C-N-CA 123.935 3.09 . . . . 61.43 113.962 -175.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 22.5 ttm180 64.58 85.6 0.14 Allowed 'General case' 0 C--N 1.357 0.893 0 C-N-CA 124.899 1.28 . . . . 71.42 110.972 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -177.36 33.19 0.08 OUTLIER Glycine 0 C--N 1.345 1.035 0 CA-C-N 115.407 -0.815 . . . . 65.04 112.478 -178.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 59.3 m -157.21 107.59 2.26 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.09 0.956 . . . . 71.23 109.074 -178.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -71.07 143.75 36.69 Favored Glycine 0 C--N 1.354 1.566 0 O-C-N 123.141 0.276 . . . . 71.02 113.195 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.85 -56.04 4.65 Favored Glycine 0 C--N 1.349 1.291 0 N-CA-C 110.862 -0.895 . . . . 63.1 110.862 -175.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 69.1 mt -59.7 -31.22 46.64 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 C-N-CA 124.605 1.162 . . . . 54.4 110.209 169.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -52.61 -60.38 3.31 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.907 1.283 . . . . 74.13 111.303 178.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -61.67 -40.74 99.16 Favored Glycine 0 C--N 1.348 1.238 0 O-C-N 124.043 0.839 . . . . 44.55 112.364 178.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 58.5 ttp -56.63 -65.86 0.54 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.33 0.652 . . . . 71.04 111.223 -179.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 42.0 p -69.32 -46.04 68.05 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 118.999 -0.524 . . . . 71.03 111.719 -173.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 63.2 m -64.25 -48.58 75.23 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 118.094 0.406 . . . . 73.42 111.651 -176.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -68.62 -38.26 80.42 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-O 118.677 -0.677 . . . . 61.52 110.974 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . 0.55 ' HB3' HD11 ' A' ' 86' ' ' LEU . 40.5 mt -72.91 -32.87 65.63 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-O 118.904 -0.569 . . . . 63.41 112.427 -178.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 40.5 p -72.1 -40.95 67.83 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-N 118.999 0.818 . . . . 64.22 109.764 176.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -63.63 -35.97 82.29 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.669 0.787 . . . . 64.24 110.549 173.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1008 ' ' TRP . . . . . 0.595 ' HH2' HD13 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -66.57 -44.61 81.81 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.179 0.991 . . . . 72.43 109.732 176.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1009 ' ' LEU . . . . . 0.489 ' O ' ' HE3' ' A' ' 79' ' ' LYS . 91.2 mt -66.67 -38.06 86.06 Favored 'General case' 0 C--N 1.358 0.942 0 O-C-N 123.585 0.553 . . . . 73.32 110.605 -178.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 12.9 t -75.26 -23.94 57.55 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 118.489 0.586 . . . . 74.12 110.703 177.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -77.46 -27.53 52.11 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 122.879 0.472 . . . . 62.4 111.3 171.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1012 ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' 1008 ' ' TRP . 34.1 mt -72.06 -39.78 68.78 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 108.773 -0.825 . . . . 60.24 108.773 172.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 11.8 t70 -69.81 -35.61 74.95 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 114.944 -1.025 . . . . 73.45 109.967 -178.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 9.6 t30 -66.58 -46.94 74.34 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 115.272 -0.876 . . . . 53.35 110.535 174.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 54.5 t80 -57.38 -57.38 12.9 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 123.702 0.626 . . . . 72.41 109.876 177.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -42.36 -56.72 2.87 Favored 'General case' 0 CA--C 1.549 0.94 0 O-C-N 125.092 1.495 . . . . 73.13 112.277 174.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1017 ' ' ALA . . . . . 0.437 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -60.26 -60.07 4.4 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.478 0.711 . . . . 72.33 112.021 -178.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1018 ' ' LYS . . . . . 0.454 ' HD3' HD12 ' A' 1021 ' ' LEU . 32.0 mmtp -69.64 -29.18 66.59 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.642 0.777 . . . . 73.3 112.076 -170.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1019 ' ' MET . . . . . 0.557 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.1 OUTLIER -82.5 -26.8 32.21 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 110.395 -0.224 . . . . 71.25 110.395 179.67 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -71.77 -25.47 62.04 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.451 -0.34 . . . . 74.24 110.404 168.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1021 ' ' LEU . . . . . 0.454 HD12 ' HD3' ' A' 1018 ' ' LYS . 93.6 mt -75.36 -31.12 60.43 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 118.591 -0.718 . . . . 73.22 111.315 173.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1022 ' ' LEU . . . . . 0.557 ' HG ' ' HA ' ' A' 1019 ' ' MET . 85.4 mt -48.75 109.49 1.2 Allowed Pre-proline 0 N--CA 1.5 2.074 0 C-N-CA 123.183 0.593 . . . . 62.23 111.533 175.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -92.35 21.57 0.7 Allowed 'Trans proline' 0 C--N 1.375 1.951 0 C-N-CA 122.988 2.459 . . . . 72.1 111.385 176.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -88.19 -56.63 3.24 Favored 'General case' 0 C--N 1.343 0.309 0 C-N-CA 124.783 1.233 . . . . 60.22 111.14 -169.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1025 ' ' VAL . . . . . . . . . . . . . 33.9 t . . . . . 0 C--O 1.248 1.019 0 N-CA-C 108.54 -0.911 . . . . 71.42 108.54 -179.688 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.403 ' O ' HG23 ' A' ' 5' ' ' VAL . 20.0 ptt? . . . . . 0 N--CA 1.487 1.395 0 N-CA-C 111.574 0.212 . . . . 73.23 111.574 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.4 m -60.37 -48.76 80.36 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 112.393 0.516 . . . . 75.24 112.393 -173.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.9 m -60.05 -42.66 94.95 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 123.479 0.487 . . . . 75.41 110.496 178.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 93.7 m -57.85 -47.84 81.52 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 124.699 1.2 . . . . 73.55 111.379 177.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 1' ' ' MET . 84.1 t -62.46 -58.14 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 123.194 0.598 . . . . 72.41 110.271 -178.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.497 ' HB3' ' NH2' ' A' ' 10' ' ' ARG . 48.9 mt-10 -55.05 -43.63 73.99 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.487 0.715 . . . . 73.51 111.59 -177.136 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -63.93 -60.05 3.75 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 114.844 -1.071 . . . . 71.41 110.788 -176.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.594 HD11 HG12 ' A' ' 60' ' ' ILE . 80.0 mt -65.31 -45.05 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 C-N-CA 123.565 0.746 . . . . 64.04 111.599 -175.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -66.2 -39.29 89.56 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.625 0.77 . . . . 71.2 111.537 -176.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.497 ' NH2' ' HB3' ' A' ' 6' ' ' GLU . 53.1 mtm180 -85.97 -23.36 26.93 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-O 118.574 -0.727 . . . . 63.25 112.42 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 15.6 m95 -64.53 -41.77 96.17 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-N 118.648 0.658 . . . . 71.35 109.225 167.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.45 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 65.1 tt0 -60.53 -46.64 89.42 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 114.907 -1.042 . . . . 73.24 109.889 174.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -59.33 -40.38 86.15 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 123.992 0.808 . . . . 74.42 111.072 -178.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.418 HG22 ' OG1' ' A' ' 71' ' ' THR . 96.4 mt -68.58 -38.3 78.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 123.893 0.877 . . . . 72.54 110.967 178.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.13 -43.1 93.01 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 121.299 0.571 . . . . 45.5 110.804 177.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.646 ' HA ' HE21 ' A' ' 19' ' ' GLN . 84.5 mt -62.8 -49.92 73.06 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.522 1.129 . . . . 74.02 110.057 178.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.9 mt -62.1 -44.45 96.62 Favored 'General case' 0 C--O 1.209 -1.055 0 CA-C-N 115.049 -0.978 . . . . 62.02 111.138 179.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 65.5 p -66.84 -43.57 83.34 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.546 0.338 . . . . 73.14 111.459 -174.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.646 HE21 ' HA ' ' A' ' 16' ' ' LEU . 29.9 pt20 -67.86 -38.26 82.88 Favored 'General case' 0 N--CA 1.484 1.242 0 O-C-N 123.165 0.291 . . . . 71.12 111.067 178.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.527 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 73.8 m -60.52 -60.3 4.02 Favored 'General case' 0 C--N 1.356 0.862 0 O-C-N 123.67 0.606 . . . . 53.33 109.935 175.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.593 HD13 ' HH2' ' A' 1008 ' ' TRP . 37.7 mt -56.31 -30.39 62.48 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.798 1.639 . . . . 74.3 111.75 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.462 HD22 ' HA ' ' A' ' 74' ' ' ASN . 53.5 tp -66.56 -51.0 61.25 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 123.7 0.625 . . . . 71.35 110.39 177.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -60.11 -39.66 86.96 Favored 'General case' 0 N--CA 1.484 1.227 0 O-C-N 123.929 0.768 . . . . 54.44 110.598 178.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 20' ' ' SER . 64.8 mt -63.2 -46.02 88.99 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 115.585 -0.734 . . . . 73.5 110.475 179.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.469 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -61.57 -39.04 89.73 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.527 0.731 . . . . 74.44 111.216 177.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -68.82 -25.77 64.84 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 115.469 -0.787 . . . . 72.32 111.661 176.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -93.03 -1.11 56.91 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 122.986 0.514 . . . . 64.44 112.178 173.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.5 13.94 82.93 Favored Glycine 0 CA--C 1.534 1.281 0 N-CA-C 114.262 0.465 . . . . 62.32 114.262 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -80.36 75.81 7.18 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.612 1.165 . . . . 72.45 110.092 -179.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.409 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 8.5 m95 -70.4 -33.9 71.92 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 122.931 0.492 . . . . 71.53 111.655 -172.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -58.69 -40.01 82.35 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.997 0.919 . . . . 73.04 111.714 -175.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.63 -31.6 71.73 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.345 -0.843 . . . . 73.22 110.894 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' A' ' 37' ' ' GLU . 10.5 mp -70.38 -38.8 74.79 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 122.671 0.389 . . . . 74.03 110.439 172.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 30' ' ' TRP . 75.9 mt -64.44 -34.38 78.07 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.241 0.617 . . . . 74.53 111.048 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -76.45 -56.98 4.13 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.387 1.075 . . . . 74.54 110.918 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.522 ' HB2' HD21 ' A' ' 21' ' ' LEU . 15.4 mt-30 -78.43 -8.24 58.27 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.573 1.149 . . . . 74.21 112.289 -173.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 80.6 tt0 -43.8 -65.74 0.47 Allowed 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 125.095 1.358 . . . . 71.41 112.654 175.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.0 m -65.66 -26.18 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 O-C-N 123.396 0.435 . . . . 73.02 111.922 -173.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.8 m -71.2 -46.72 60.63 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.532 0.733 . . . . 51.33 110.592 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -61.82 -48.66 79.57 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.019 -0.991 . . . . 64.5 110.055 178.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 64.7 mt -71.64 -28.49 63.8 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 115.101 -0.954 . . . . 61.41 111.262 -176.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -67.91 -48.21 66.61 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.014 0.525 . . . . 74.3 110.018 175.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.5 t -61.71 -38.32 87.44 Favored 'General case' 0 CA--C 1.552 1.022 0 O-C-N 124.011 0.82 . . . . 74.01 109.928 179.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.6 mt -56.27 -51.79 59.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 124.775 1.23 . . . . 73.11 110.904 172.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -63.16 -45.49 91.61 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 114.655 -1.157 . . . . 74.22 110.976 -173.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.6 t -76.84 -32.88 57.85 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 115.497 -0.774 . . . . 62.31 112.458 -174.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.8 p -74.15 -35.41 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 CA-C-N 118.051 0.387 . . . . 71.24 110.198 178.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.447 ' SD ' ' HD2' ' A' 1018 ' ' LYS . 56.4 ttm -72.32 -30.1 64.45 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.48 -0.782 . . . . 74.45 109.871 177.361 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -69.3 -33.64 73.48 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 115.725 -0.67 . . . . 63.34 110.715 172.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.408 ' HG3' ' NH2' ' A' ' 10' ' ' ARG . 73.6 mmtt -90.59 33.4 0.92 Allowed 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.852 0.861 . . . . 73.43 111.709 177.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -54.21 105.71 0.16 Allowed 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 123.597 0.759 . . . . 74.33 110.885 176.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 48.9 p -73.64 151.55 89.23 Favored Pre-proline 0 CA--C 1.552 1.052 0 C-N-CA 123.751 0.82 . . . . 73.21 111.064 -178.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -59.99 157.57 33.43 Favored 'Trans proline' 0 C--N 1.378 2.107 0 C-N-CA 123.026 2.484 . . . . 74.03 113.554 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_exo -45.9 -47.22 14.45 Favored 'Trans proline' 0 C--N 1.387 2.583 0 C-N-CA 124.493 3.462 . . . . 74.41 114.907 -176.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -69.37 80.68 0.29 Allowed Glycine 0 C--N 1.349 1.294 0 O-C-N 123.892 0.745 . . . . 73.35 113.263 -177.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.4 HG23 ' HB ' ' A' ' 60' ' ' ILE . 9.5 mm -103.17 126.16 57.53 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 C-N-CA 124.559 1.144 . . . . 53.42 109.334 178.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.8 t -68.57 171.98 6.83 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.488 1.115 . . . . 65.31 111.989 -177.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -51.5 68.55 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 125.145 1.378 . . . . 73.52 112.968 -173.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.4 m -60.12 -52.74 64.06 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 123.557 0.536 . . . . 52.43 111.211 -177.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.594 HG12 HD11 ' A' ' 8' ' ' ILE . 53.1 mt -62.52 -40.4 88.06 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 CA-C-N 115.584 -0.734 . . . . 75.4 110.185 -179.169 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -62.67 -52.47 63.2 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.756 0.422 . . . . 64.31 110.376 -177.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.61 -47.78 80.01 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.655 0.597 . . . . 74.45 111.214 -176.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 73.1 mtm -62.98 -60.17 3.82 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 123.349 0.405 . . . . 72.51 111.066 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.3 t -55.77 -44.75 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 123.765 0.826 . . . . 75.24 111.626 -178.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.59 -35.27 80.33 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 122.68 0.392 . . . . 74.11 111.406 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.85 -40.02 96.99 Favored Glycine 0 C--N 1.348 1.202 0 O-C-N 123.578 0.549 . . . . 71.45 112.148 175.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -73.21 -35.72 66.37 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.34 0.656 . . . . 72.53 110.658 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 37.6 mt -66.37 -44.95 90.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.246 1.018 . . . . 73.21 110.081 177.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -66.72 -40.6 88.47 Favored 'General case' 0 C--O 1.243 0.735 0 N-CA-C 109.223 -0.658 . . . . 55.11 109.223 -177.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -59.07 -56.12 26.27 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 114.509 -1.223 . . . . 73.41 110.46 176.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.418 ' OG1' HG22 ' A' ' 14' ' ' ILE . 10.2 t -70.51 -33.11 70.83 Favored 'General case' 0 C--O 1.211 -0.927 0 O-C-N 123.556 0.535 . . . . 74.2 112.086 -172.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.542 HD22 ' HG3' ' A' 1016 ' ' GLU . 51.7 mt -68.98 -40.36 78.86 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 118.149 0.431 . . . . 74.43 110.587 177.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -63.66 -52.64 59.83 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 123.5 0.5 . . . . 71.31 109.903 177.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.462 ' HA ' HD22 ' A' ' 22' ' ' LEU . 13.3 m120 -68.67 -35.84 77.74 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.256 -0.883 . . . . 53.42 111.747 -174.234 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.579 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 27.3 tt0 -78.95 -32.01 45.29 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 123.469 0.481 . . . . 54.54 111.153 -179.13 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -66.94 -39.84 87.43 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 109.212 -0.662 . . . . 61.5 109.212 175.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.4 mt -66.34 -35.23 79.84 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 114.845 -1.07 . . . . 73.12 110.874 171.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.579 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 7.9 mt -61.84 -65.06 0.75 Allowed 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.14 0.576 . . . . 71.21 110.191 176.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.525 ' HA ' HD22 ' A' 1009 ' ' LEU . 19.7 pttm -66.5 -26.72 67.3 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 112.526 0.565 . . . . 73.14 112.526 -174.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.78 -57.39 11.12 Favored Glycine 0 C--N 1.346 1.126 0 N-CA-C 112.19 -0.364 . . . . 73.42 112.19 172.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.501 ' O ' ' HG2' ' A' ' 85' ' ' ARG . 7.4 tt -58.63 -52.01 67.5 Favored 'General case' 0 C--O 1.212 -0.87 0 C-N-CA 123.483 0.713 . . . . 54.54 110.763 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.485 HD13 ' HE1' ' A' 1008 ' ' TRP . 48.7 mt -63.42 -36.1 82.6 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.512 1.125 . . . . 70.23 111.989 -176.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -62.11 -45.34 93.89 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 109.929 -0.397 . . . . 74.01 109.929 173.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -62.98 -39.54 95.02 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 124.019 0.824 . . . . 62.54 111.29 178.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 81' ' ' LEU . 31.6 mmm-85 -73.17 -47.19 45.85 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 109.863 -0.421 . . . . 74.44 109.863 -176.007 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.444 HD11 ' HB3' ' A' 1005 ' ' LEU . 96.3 mt -66.09 -25.78 67.17 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.359 0.664 . . . . 43.13 111.192 175.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.416 ' HA ' HG21 ' A' ' 96' ' ' VAL . 18.5 t70 -65.17 -48.19 74.38 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 108.873 -0.788 . . . . 71.22 108.873 174.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.547 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 50.0 mt-10 -59.03 -60.23 4.2 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 124.163 0.914 . . . . 73.44 110.374 175.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 96.2 mt -52.05 -50.35 61.67 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.212 1.405 . . . . 74.42 112.092 -176.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.3 m -67.76 -37.86 82.68 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 119.347 -0.358 . . . . 60.52 110.889 -178.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 43.7 t -59.68 -32.77 70.8 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 122.821 0.448 . . . . 62.41 110.917 174.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 45.6 mt -74.01 -48.65 28.7 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.137 0.575 . . . . 73.22 110.434 177.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 82.3 mt -77.39 -56.4 8.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.954 0.901 . . . . 70.51 112.261 -169.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.29 39.64 0.49 Allowed Glycine 0 C--N 1.353 1.526 0 C-N-CA 121.738 -0.268 . . . . 72.53 113.551 -175.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 65.77 136.62 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 126.085 1.754 . . . . 51.42 113.482 178.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.416 HG21 ' HA ' ' A' ' 87' ' ' ASP . 7.6 p -96.02 151.17 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.919 0.888 . . . . 71.12 109.998 175.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.9 mp -86.6 76.96 9.47 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 109.833 -0.432 . . . . 73.35 109.833 176.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 21.4 p90 44.56 -71.42 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.107 0 C-N-CA 127.202 2.201 . . . . 74.03 115.317 176.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 24.8 tm0? -155.83 105.84 2.42 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 106.9 -1.518 . . . . 70.32 106.9 175.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -174.33 82.08 0.08 OUTLIER Glycine 0 CA--C 1.531 1.055 0 N-CA-C 111.959 -0.456 . . . . 44.1 111.959 -176.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -66.61 -43.36 7.71 Favored 'Trans proline' 0 C--N 1.379 2.161 0 C-N-CA 122.953 2.435 . . . . 65.24 111.954 176.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.9 m -73.97 -15.14 61.12 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.905 0.882 . . . . 64.54 111.559 -179.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.91 -24.37 63.37 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 123.654 0.782 . . . . 71.41 111.504 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 86.54 127.91 2.26 Favored Glycine 0 C--N 1.353 1.496 0 N-CA-C 112.014 -0.435 . . . . 71.13 112.014 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 87.9 mt -119.4 151.67 38.12 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.115 0.566 . . . . 72.43 111.348 -174.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 58.3 t 61.56 90.86 0.08 OUTLIER Pre-proline 0 CA--C 1.559 1.308 0 C-N-CA 125.37 1.468 . . . . 72.24 110.543 -171.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -80.47 -4.71 13.14 Favored 'Trans proline' 0 C--N 1.377 2.073 0 C-N-CA 123.285 2.657 . . . . 63.32 113.932 -175.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -88.9 126.73 35.51 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.465 0.706 . . . . 72.41 110.201 -178.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -67.68 105.86 1.52 Allowed Glycine 0 CA--C 1.532 1.155 0 O-C-N 124.278 0.986 . . . . 14.32 112.776 177.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.432 ' O ' ' HB3' ' A' ' 114' ' ' GLU . 49.3 m -142.9 117.55 9.8 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.394 1.078 . . . . 72.34 109.447 -178.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -73.66 77.04 0.95 Allowed Glycine 0 C--N 1.347 1.14 0 C-N-CA 122.911 0.291 . . . . 75.13 113.292 -176.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 169.87 -79.83 0.1 OUTLIER Glycine 0 C--N 1.345 1.049 0 N-CA-C 111.794 -0.522 . . . . 60.02 111.794 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 66.5 mt -65.61 -53.24 41.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 123.661 0.785 . . . . 75.12 110.279 177.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.432 ' HB3' ' O ' ' A' ' 110' ' ' SER . 2.5 tm-20 -63.7 -33.46 75.69 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 123.819 0.699 . . . . 64.04 109.905 177.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -57.12 -47.72 85.34 Favored Glycine 0 C--N 1.35 1.351 0 N-CA-C 111.828 -0.509 . . . . 73.41 111.828 172.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 46.9 ttp -64.76 -48.72 73.51 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.398 1.079 . . . . 72.23 111.583 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 46.6 p -70.42 -42.04 72.13 Favored 'General case' 0 C--O 1.218 -0.57 0 C-N-CA 122.81 0.444 . . . . 53.4 110.996 -174.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 95.5 m -62.19 -45.51 93.06 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 122.983 0.513 . . . . 74.31 110.514 176.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 64.6 mtt-85 -55.49 -51.77 65.87 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 123.723 0.639 . . . . 52.3 110.78 174.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . 0.568 ' O ' ' HG ' ' A' 1009 ' ' LEU . 53.8 mt -68.64 -35.53 77.39 Favored 'General case' 0 C--O 1.21 -0.987 0 O-C-N 123.823 0.702 . . . . 72.34 112.258 -174.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 45.2 p -74.91 -38.51 61.81 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-N 118.94 0.791 . . . . 72.03 110.805 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -61.87 -39.07 90.63 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-O 121.648 0.737 . . . . 74.11 110.127 170.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1008 ' ' TRP . . . . . 0.593 ' HH2' HD13 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -65.64 -42.23 91.69 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 114.711 -1.131 . . . . 73.43 109.972 177.27 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1009 ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' 1005 ' ' LEU . 62.0 mt -70.45 -33.68 71.58 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 122.959 0.504 . . . . 74.33 111.437 -178.046 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 5.3 t -74.64 -30.27 61.56 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 109.857 -0.423 . . . . 74.24 109.857 176.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -72.91 -30.76 64.16 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.33 0.652 . . . . 54.44 111.238 173.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1012 ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' 1008 ' ' TRP . 20.4 mt -69.66 -46.09 66.91 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 121.456 0.646 . . . . 64.4 109.54 175.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 24.1 t70 -63.09 -37.99 89.4 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 114.93 -1.032 . . . . 73.4 110.283 177.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 6.2 t30 -64.33 -44.58 91.08 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.869 0.868 . . . . 61.12 111.046 176.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 40.8 t80 -62.02 -58.95 5.92 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 123.698 0.624 . . . . 70.21 109.821 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1016 ' ' GLU . . . . . 0.542 ' HG3' HD22 ' A' ' 72' ' ' LEU . 34.5 tt0 -54.78 -44.53 73.79 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 123.969 0.793 . . . . 73.24 111.684 -177.634 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1017 ' ' ALA . . . . . 0.424 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -63.97 -57.49 9.58 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.203 0.601 . . . . 62.11 111.729 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1018 ' ' LYS . . . . . 0.447 ' HD2' ' SD ' ' A' ' 48' ' ' MET . 1.0 OUTLIER -69.47 -33.01 72.28 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.808 0.843 . . . . 73.02 110.383 -173.174 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1019 ' ' MET . . . . . 0.567 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.1 OUTLIER -77.56 -25.57 50.18 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.948 -0.47 . . . . 73.33 110.21 179.23 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -69.55 -30.73 68.61 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 110.022 -0.362 . . . . 63.42 110.022 166.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1021 ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' 1017 ' ' ALA . 80.9 mt -72.78 -21.14 61.04 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.23 0.612 . . . . 63.31 111.721 174.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1022 ' ' LEU . . . . . 0.567 ' HG ' ' HA ' ' A' 1019 ' ' MET . 90.6 mt -53.18 113.78 5.14 Favored Pre-proline 0 N--CA 1.496 1.863 0 CA-C-N 118.009 0.368 . . . . 53.32 110.572 168.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -95.39 27.06 0.27 Allowed 'Trans proline' 0 C--N 1.377 2.069 0 C-N-CA 123.213 2.609 . . . . 53.32 112.953 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -119.86 -52.64 2.21 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.493 0.717 . . . . 52.22 110.065 -178.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1025 ' ' VAL . . . . . . . . . . . . . 15.5 m . . . . . 0 CA--C 1.557 1.247 0 C-N-CA 124.838 1.255 . . . . 54.42 109.292 179.401 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 119.643 -0.218 . . . . 74.13 110.436 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.3 m -53.78 -51.87 62.05 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.624 0.77 . . . . 65.11 112.912 -169.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.7 p -62.03 -42.0 98.7 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.802 0.441 . . . . 33.13 110.941 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 33.4 m -62.76 -58.39 7.62 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.817 1.247 . . . . 72.43 111.515 -177.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.8 p -61.87 -38.82 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 123.701 0.8 . . . . 51.21 110.857 -178.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -61.16 -50.11 74.49 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.724 0.809 . . . . 55.53 110.737 -179.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -65.96 -46.62 77.43 Favored 'General case' 0 CA--C 1.552 1.039 0 CA-C-N 114.653 -1.158 . . . . 64.45 111.469 -177.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.415 HG23 ' HE1' ' A' ' 67' ' ' TYR . 91.0 mt -68.96 -33.65 60.11 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 C-N-CA 124.322 1.049 . . . . 60.54 111.196 -178.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -73.96 -32.52 63.5 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 122.916 0.486 . . . . 63.42 111.279 177.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.591 HH12 ' HD3' ' A' ' 50' ' ' LYS . 68.2 mtt180 -64.42 -51.63 62.19 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 109.853 -0.425 . . . . 71.15 109.853 172.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 54.4 m95 -61.5 -34.09 74.89 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 123.574 0.547 . . . . 70.24 111.772 176.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.438 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 60.7 tt0 -61.4 -50.09 74.27 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.321 0.648 . . . . 53.4 109.383 176.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -57.45 -46.47 83.59 Favored 'General case' 0 C--O 1.21 -0.995 0 O-C-N 124.219 0.949 . . . . 62.44 111.149 177.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.461 HG22 ' OG1' ' A' ' 71' ' ' THR . 77.6 mt -64.99 -38.02 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 123.27 0.628 . . . . 73.12 111.573 -176.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.18 -46.7 66.88 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 122.558 0.343 . . . . 54.45 111.167 177.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 84.5 mt -65.8 -39.9 91.38 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.357 0.663 . . . . 71.1 110.776 -179.375 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.3 mt -69.77 -49.48 52.53 Favored 'General case' 0 C--O 1.212 -0.896 0 C-N-CA 123.774 0.83 . . . . 72.44 110.148 -178.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.8 p -60.83 -36.76 79.92 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 118.15 0.432 . . . . 60.31 110.922 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -65.22 -49.36 70.0 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.486 0.715 . . . . 71.01 111.315 176.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.405 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 59.5 m -59.56 -55.74 30.66 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.741 0.816 . . . . 73.41 110.628 179.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.572 HD13 ' HH2' ' A' 1008 ' ' TRP . 66.9 mt -58.7 -31.8 68.57 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.12 1.368 . . . . 71.11 111.574 179.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.6 tp -65.41 -50.17 66.49 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 122.609 0.364 . . . . 73.43 110.535 175.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.473 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 48.4 mt-10 -55.76 -48.57 75.03 Favored 'General case' 0 N--CA 1.482 1.151 0 O-C-N 124.308 1.005 . . . . 74.24 109.949 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.465 HD22 ' HG2' ' A' ' 29' ' ' GLU . 64.9 mt -59.23 -47.54 84.98 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 114.369 -1.287 . . . . 52.22 110.854 179.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.497 ' HB2' HD21 ' A' ' 33' ' ' LEU . . . -64.11 -36.41 83.95 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.408 0.683 . . . . 62.15 111.745 -178.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -67.39 -38.8 85.28 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.264 0.626 . . . . 54.5 110.493 176.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 25.7 mmm180 -79.02 -14.39 59.21 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.076 0.55 . . . . 75.04 111.826 -179.148 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.0 7.27 58.69 Favored Glycine 0 N--CA 1.476 1.343 0 O-C-N 123.003 0.189 . . . . 71.13 113.391 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.465 ' HG2' HD22 ' A' ' 24' ' ' LEU . 10.6 tp10 -76.39 95.22 3.77 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.434 1.094 . . . . 65.1 110.986 176.197 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 29.1 m95 -90.39 -30.28 17.49 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 123.492 0.717 . . . . 72.34 112.692 -177.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -64.88 -39.44 93.54 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.624 0.77 . . . . 71.35 111.637 -172.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.412 ' HB2' HD13 ' A' ' 24' ' ' LEU . 81.8 mt -74.72 -21.33 59.43 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 116.503 -0.317 . . . . 70.11 111.316 178.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.497 HD21 ' HB2' ' A' ' 25' ' ' ALA . 10.4 mp -69.92 -45.54 67.31 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 109.352 -0.61 . . . . 72.04 109.352 170.281 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.62 -31.84 73.13 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 124.0 0.812 . . . . 74.55 111.379 177.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -76.73 -52.84 8.85 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 120.968 0.413 . . . . 74.34 110.922 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.517 ' HB2' HD21 ' A' ' 21' ' ' LEU . 14.7 mt-30 -78.78 -9.94 59.61 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.941 0.896 . . . . 72.53 112.618 -176.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.487 ' HG3' ' HE3' ' A' 1008 ' ' TRP . 34.5 tt0 -44.43 -51.74 8.4 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.629 1.172 . . . . 51.14 112.127 175.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.3 p -56.7 -45.12 82.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 O-C-N 123.833 0.708 . . . . 73.55 111.622 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.1 m -70.88 -40.06 72.47 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.509 0.724 . . . . 73.33 112.06 -174.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -69.93 -49.79 48.49 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.383 0.673 . . . . 75.31 110.676 -177.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.9 mt -68.16 -31.41 70.94 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 123.845 0.716 . . . . 74.23 110.968 -179.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -66.73 -44.31 81.89 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.054 0.542 . . . . 73.2 110.656 175.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.445 ' HA ' HG22 ' A' ' 46' ' ' THR . 9.2 t -67.02 -38.63 86.28 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.314 0.646 . . . . 75.23 110.235 -178.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.8 mt -58.02 -50.72 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.807 1.243 . . . . 63.44 110.53 172.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -63.78 -42.19 97.8 Favored 'General case' 0 C--N 1.345 0.411 0 CA-C-N 115.163 -0.926 . . . . 74.34 110.598 -175.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.445 HG22 ' HA ' ' A' ' 43' ' ' SER . 14.3 t -79.02 -25.75 43.25 Favored 'General case' 0 CA--C 1.548 0.868 0 O-C-N 123.359 0.412 . . . . 72.55 111.95 -174.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.5 p -79.5 -32.99 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 CA-C-N 118.558 0.617 . . . . 44.44 110.697 175.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.7 ttm -75.94 -34.98 59.87 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.781 -0.645 . . . . 61.1 109.492 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -68.68 -30.76 69.51 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.219 -0.901 . . . . 73.35 110.297 171.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.591 ' HD3' HH12 ' A' ' 10' ' ' ARG . 53.4 tptt -69.05 84.97 0.34 Allowed 'General case' 0 C--O 1.244 0.799 0 N-CA-C 109.007 -0.738 . . . . 75.3 109.007 174.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -72.18 103.7 3.41 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 107.976 -1.12 . . . . 65.35 107.976 177.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.5 m -97.96 135.57 21.41 Favored Pre-proline 0 CA--C 1.544 0.721 0 CA-C-N 114.725 -1.125 . . . . 73.53 109.3 -175.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -59.04 155.41 39.34 Favored 'Trans proline' 0 C--N 1.378 2.13 0 C-N-CA 122.895 2.397 . . . . 63.33 113.264 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -51.56 -44.76 41.99 Favored 'Trans proline' 0 C--N 1.379 2.148 0 C-N-CA 123.919 3.079 . . . . 75.32 112.851 173.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -67.45 85.24 0.14 Allowed Glycine 0 C--N 1.346 1.135 0 CA-C-N 115.177 -0.919 . . . . 65.22 113.831 -178.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.496 HG23 ' HB ' ' A' ' 60' ' ' ILE . 9.3 mm -120.16 117.6 54.07 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 124.322 1.049 . . . . 65.41 108.775 175.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.0 t -61.79 161.11 10.71 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.095 0.958 . . . . 63.32 112.102 -178.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 -55.35 -30.78 60.95 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.393 1.077 . . . . 72.41 112.76 -176.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.1 m -66.45 -58.04 6.09 Favored 'General case' 0 C--O 1.248 1.002 0 C-N-CA 122.842 0.457 . . . . 73.33 111.19 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.496 ' HB ' HG23 ' A' ' 56' ' ' ILE . 62.6 mt -63.5 -42.56 96.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 115.502 -0.772 . . . . 74.53 109.329 -177.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.427 ' HB2' HG22 ' A' ' 56' ' ' ILE . 37.1 tt0 -61.13 -39.94 91.94 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.791 0.836 . . . . 72.51 111.066 178.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -63.19 -52.91 60.4 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.161 0.585 . . . . 71.1 110.858 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 69.2 mtm -67.79 -49.52 61.94 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 115.448 -0.796 . . . . 73.25 111.594 -175.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.7 t -59.83 -48.01 89.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 123.832 0.853 . . . . 63.33 111.105 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.487 ' HA ' ' HB ' ' A' ' 68' ' ' ILE . . . -66.5 -27.64 67.94 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 123.204 0.315 . . . . 71.22 111.293 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.36 -53.24 47.23 Favored Glycine 0 C--N 1.352 1.468 0 N-CA-C 111.494 -0.642 . . . . 64.01 111.494 171.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.415 ' HE1' HG23 ' A' ' 8' ' ' ILE . 25.1 m-85 -60.17 -34.39 73.52 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 114.919 -0.64 . . . . 70.5 111.692 176.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.487 ' HB ' ' HA ' ' A' ' 65' ' ' ALA . 20.8 mt -64.26 -50.21 77.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.843 1.257 . . . . 64.32 111.044 179.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 74.0 mmtt -66.37 -40.77 89.94 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 120.64 0.257 . . . . 73.21 110.51 -178.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -61.57 -50.59 72.0 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.427 -0.806 . . . . 75.11 110.915 177.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.461 ' OG1' HG22 ' A' ' 14' ' ' ILE . 6.3 t -73.68 -34.85 65.08 Favored 'General case' 0 C--O 1.213 -0.851 0 CA-C-O 119.236 -0.411 . . . . 63.14 111.827 -173.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.445 HD21 ' SD ' ' A' 1019 ' ' MET . 43.6 mt -67.66 -40.73 84.47 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 117.964 0.347 . . . . 75.11 110.645 177.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -63.53 -50.77 68.25 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.952 0.501 . . . . 74.42 110.807 176.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.429 HD22 ' N ' ' A' ' 74' ' ' ASN . 0.8 OUTLIER -73.11 -32.97 65.28 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 115.078 -0.965 . . . . 43.02 111.343 -172.275 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.448 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 30.1 tt0 -79.67 -28.42 40.74 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 122.975 0.51 . . . . 72.0 110.479 176.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -65.69 -39.56 91.39 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-O 121.205 0.526 . . . . 62.21 109.799 172.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.1 mt -69.25 -39.43 78.49 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 115.163 -0.926 . . . . 75.35 110.9 174.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.448 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 20.3 mt -60.07 -48.75 80.4 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.353 0.661 . . . . 73.41 110.922 172.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -65.59 -43.88 88.33 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.515 1.126 . . . . 62.5 109.98 -173.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.35 -50.62 55.0 Favored Glycine 0 C--N 1.345 1.049 0 CA-C-N 115.024 -0.989 . . . . 74.33 112.583 177.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.401 HD22 ' HB1' ' A' ' 25' ' ' ALA . 10.1 tt -61.71 -46.6 88.98 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.704 0.802 . . . . 65.21 111.041 -177.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.401 ' HB2' HD21 ' A' 1009 ' ' LEU . 39.5 mt -76.67 -35.59 57.83 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.632 0.773 . . . . 74.13 111.801 -172.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 26.1 tp60 -67.89 -43.55 79.06 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 109.553 -0.536 . . . . 61.22 109.553 175.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.3 tm0? -58.81 -45.44 89.95 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.652 1.181 . . . . 72.22 110.52 175.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.8 -55.77 13.4 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 115.271 -0.877 . . . . 71.15 109.884 -174.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.484 HD11 ' HB3' ' A' 1005 ' ' LEU . 94.9 mt -60.79 -31.32 70.7 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.994 0.918 . . . . 74.12 111.693 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -60.4 -54.78 41.46 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.944 0.897 . . . . 74.14 109.88 175.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.497 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 57.9 mt-10 -64.33 -41.19 96.91 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 115.156 -0.929 . . . . 74.14 111.36 178.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 85.0 mt -58.56 -43.38 89.35 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.113 0.965 . . . . 73.21 110.703 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 67.4 m -70.18 -27.96 64.93 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.969 0.507 . . . . 72.41 111.017 177.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.3 m -73.5 -23.58 60.06 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 122.79 0.436 . . . . 75.45 111.57 170.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 47.4 mt -80.75 -38.07 29.33 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.062 0.545 . . . . 72.35 110.429 176.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 85.3 mt -72.52 -38.88 60.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 124.469 1.108 . . . . 64.22 109.706 178.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -165.52 -99.37 0.14 Allowed Glycine 0 C--N 1.336 0.577 0 N-CA-C 109.921 -1.272 . . . . 53.12 109.921 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -147.08 136.14 22.41 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 107.74 -1.207 . . . . 74.03 107.74 171.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.402 HG13 ' H ' ' A' ' 98' ' ' PHE . 11.4 p -74.2 163.9 3.8 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.116 0 C-N-CA 123.132 0.573 . . . . 74.31 109.657 171.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 84.0 mt -87.09 40.36 0.91 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.136 0.575 . . . . 64.11 111.591 177.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.402 ' H ' HG13 ' A' ' 96' ' ' VAL . 15.9 m-85 63.53 -80.94 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.592 1.557 . . . . 71.24 110.845 171.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -144.27 115.34 7.9 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 107.569 -1.271 . . . . 74.4 107.569 168.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -170.29 141.4 6.55 Favored Glycine 0 C--O 1.242 0.63 0 N-CA-C 111.136 -0.786 . . . . 72.41 111.136 -176.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -85.61 26.88 0.62 Allowed 'Trans proline' 0 C--N 1.372 1.79 0 C-N-CA 122.831 2.354 . . . . 71.24 112.999 -178.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.2 t -68.06 93.39 0.43 Allowed 'General case' 0 C--N 1.353 0.731 0 C-N-CA 123.483 0.713 . . . . 63.41 110.016 176.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -81.82 78.25 8.56 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 114.743 -1.117 . . . . 73.31 109.804 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 161.2 54.82 0.02 OUTLIER Glycine 0 C--N 1.342 0.863 0 CA-C-N 115.033 -0.985 . . . . 75.11 111.079 -177.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 92.6 mt -77.12 -36.34 55.54 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.289 0.636 . . . . 75.21 110.75 -179.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.487 HG12 ' HB3' ' A' ' 114' ' ' GLU . 37.4 t -114.36 111.51 46.91 Favored Pre-proline 0 CA--C 1.552 1.037 0 N-CA-C 107.96 -1.126 . . . . 61.12 107.96 175.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -85.79 178.38 4.33 Favored 'Trans proline' 0 C--N 1.377 2.04 0 C-N-CA 123.14 2.56 . . . . 63.14 113.646 -177.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 67.7 mtt85 -61.67 163.96 6.61 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.851 0.86 . . . . 65.43 112.141 175.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 101.26 31.98 5.4 Favored Glycine 0 C--N 1.342 0.87 0 CA-C-N 115.715 -0.675 . . . . 74.13 111.962 -177.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 77.7 p -161.91 -177.69 5.98 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.857 0.863 . . . . 71.24 109.883 178.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -70.52 -166.32 6.19 Favored Glycine 0 C--N 1.35 1.351 0 O-C-N 123.298 0.374 . . . . 44.14 113.458 174.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -70.65 8.35 4.37 Favored Glycine 0 N--CA 1.476 1.35 0 N-CA-C 116.347 1.299 . . . . 51.2 116.347 -169.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 16.2 tt -67.64 -38.67 80.84 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.052 0 C-N-CA 123.71 0.804 . . . . 74.01 110.512 175.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.487 ' HB3' HG12 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -70.07 -35.29 74.11 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 116.179 -0.464 . . . . 64.52 110.782 177.526 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -64.77 -44.2 95.13 Favored Glycine 0 C--N 1.345 1.029 0 O-C-N 123.995 0.809 . . . . 72.03 111.488 174.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 52.3 ttp -58.53 -50.45 73.74 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.791 0.837 . . . . 73.22 110.725 178.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 28.2 p -66.07 -47.72 73.35 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 123.576 0.548 . . . . 61.41 111.979 -176.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 65.2 p -70.11 -35.54 74.19 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 111.797 0.295 . . . . 74.43 111.797 -176.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 57.1 mtt-85 -63.92 -46.84 82.98 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.521 0.328 . . . . 74.13 110.154 174.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . 0.546 ' HA ' ' HB3' ' A' 1008 ' ' TRP . 41.8 mt -73.55 -28.21 61.74 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.625 0.602 . . . . 72.51 112.625 -177.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 35.0 p -73.25 -41.73 63.35 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 118.775 0.716 . . . . 74.42 109.733 175.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 56.1 ttt180 -64.88 -33.77 76.81 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.236 0.541 . . . . 75.53 110.154 174.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1008 ' ' TRP . . . . . 0.572 ' HH2' HD13 ' A' ' 21' ' ' LEU . 1.3 t-105 -62.96 -50.76 69.5 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.436 1.094 . . . . 75.14 109.982 175.043 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1009 ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' 1005 ' ' LEU . 98.7 mt -63.14 -37.84 88.81 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.272 0.629 . . . . 74.54 111.826 -177.282 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 13.4 t -76.24 -27.04 56.62 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 122.483 -0.136 . . . . 63.44 110.834 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -73.26 -30.58 63.54 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 122.57 0.348 . . . . 62.24 110.668 173.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1012 ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' 1008 ' ' TRP . 26.9 mt -68.3 -42.91 78.76 Favored 'General case' 0 C--N 1.356 0.854 0 C-N-CA 123.34 0.656 . . . . 72.43 109.3 174.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 29.6 t70 -66.21 -39.88 89.96 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.478 -0.783 . . . . 62.34 111.289 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 46.9 t30 -62.95 -46.12 89.24 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.487 0.715 . . . . 75.4 109.628 178.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 56.6 t80 -57.49 -62.5 1.74 Allowed 'General case' 0 C--N 1.357 0.904 0 O-C-N 123.943 0.777 . . . . 72.31 110.407 174.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -44.36 -53.62 6.61 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 126.267 1.827 . . . . 73.33 112.492 -177.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -68.96 -52.63 26.97 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.338 -0.846 . . . . 70.23 111.557 -176.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -63.38 -35.63 81.05 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 121.428 0.632 . . . . 73.14 111.279 -177.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1019 ' ' MET . . . . . 0.635 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.3 OUTLIER -80.77 -24.45 38.63 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.168 -0.469 . . . . 72.34 110.957 -176.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -69.22 -31.92 70.82 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.912 -0.403 . . . . 63.41 109.912 168.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 96.6 mt -71.99 -29.84 64.63 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 118.52 -0.752 . . . . 75.11 112.254 176.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1022 ' ' LEU . . . . . 0.635 ' HG ' ' HA ' ' A' 1019 ' ' MET . 85.7 mt -48.91 109.98 1.36 Allowed Pre-proline 0 N--CA 1.503 2.18 0 O-C-N 123.67 0.606 . . . . 74.22 111.957 174.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -101.22 3.66 0.61 Allowed 'Trans proline' 0 C--N 1.377 2.046 0 C-N-CA 123.366 2.711 . . . . 71.23 113.927 175.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -74.69 -47.73 29.94 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.196 0.599 . . . . 71.43 111.05 -176.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1025 ' ' VAL . . . . . . . . . . . . . 13.1 m . . . . . 0 C--O 1.249 1.074 0 CA-C-N 115.64 -0.709 . . . . 71.12 110.74 177.777 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.483 1.185 0 CA-C-O 119.257 -0.401 . . . . 71.22 111.884 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.4 m -56.83 -53.2 60.54 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.696 0.398 . . . . 72.53 110.836 -177.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 m -51.85 -46.89 64.58 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.003 0.921 . . . . 71.21 111.477 177.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 48.5 m -56.87 -58.92 6.04 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 114.203 -1.362 . . . . 73.24 111.662 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.2 t -62.27 -54.71 30.69 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.799 0 CA-C-N 115.486 -0.779 . . . . 71.21 109.817 -175.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -48.9 -51.38 30.29 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.77 0.828 . . . . 73.53 112.82 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -67.43 -54.01 24.04 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 115.496 -0.775 . . . . 73.31 111.623 -174.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.576 HD11 HG12 ' A' ' 60' ' ' ILE . 95.9 mt -63.84 -39.05 84.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 115.076 -0.965 . . . . 71.14 111.043 -177.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.505 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 0.8 OUTLIER -69.53 -40.02 77.16 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.301 0.64 . . . . 70.51 110.52 -178.158 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.481 ' HD3' ' HA ' ' A' ' 47' ' ' VAL . 70.1 mtt85 -61.37 -54.17 47.21 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 123.538 0.524 . . . . 74.45 110.666 174.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -58.51 -33.11 69.48 Favored 'General case' 0 N--CA 1.484 1.229 0 O-C-N 123.656 0.598 . . . . 62.05 111.977 177.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.414 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 62.8 tt0 -63.07 -46.01 89.47 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.193 0.997 . . . . 71.22 109.905 176.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 71.1 mmt-85 -60.51 -46.02 91.67 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 123.727 0.642 . . . . 74.22 109.966 177.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 10' ' ' ARG . 64.3 mt -62.68 -39.24 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.038 0.935 . . . . 73.33 111.215 -176.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.47 -43.76 69.11 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 122.851 0.46 . . . . 73.24 111.047 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.589 ' HA ' HE21 ' A' ' 19' ' ' GLN . 96.0 mt -61.11 -45.9 92.8 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.77 0.828 . . . . 72.3 110.133 177.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 71.9 mt -65.53 -50.23 65.99 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-N 115.171 -0.922 . . . . 71.22 110.151 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.7 p -64.14 -37.65 88.22 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 112.43 0.53 . . . . 65.2 112.43 -175.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.589 HE21 ' HA ' ' A' ' 16' ' ' LEU . 27.6 pt20 -71.77 -41.43 68.37 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 123.101 0.25 . . . . 74.11 110.414 178.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.514 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 66.6 m -60.5 -46.11 91.31 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 123.535 0.522 . . . . 72.45 110.305 175.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.585 HD13 ' HH2' ' A' 1008 ' ' TRP . 61.8 mt -64.89 -35.26 80.56 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.63 1.172 . . . . 61.02 110.576 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.0 tp -63.59 -42.69 98.25 Favored 'General case' 0 C--N 1.347 0.495 0 N-CA-C 109.577 -0.527 . . . . 75.14 109.577 177.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.46 ' O ' ' HD3' ' A' ' 27' ' ' ARG . 6.0 mm-40 -61.8 -45.59 93.19 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 123.498 0.499 . . . . 71.35 110.945 176.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 20' ' ' SER . 60.6 mt -61.7 -42.25 98.69 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.798 0.839 . . . . 62.34 111.125 -179.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.455 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -71.59 -41.55 68.82 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.333 0.653 . . . . 72.43 111.71 -177.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -67.43 -35.05 78.47 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.497 -0.774 . . . . 73.23 111.338 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.46 ' HD3' ' O ' ' A' ' 23' ' ' GLU . 6.7 mpt_? -88.22 -21.56 24.46 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 122.638 0.375 . . . . 60.53 111.423 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.33 20.17 18.63 Favored Glycine 0 C--N 1.35 1.312 0 N-CA-C 115.553 0.981 . . . . 74.32 115.553 177.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -79.39 74.82 6.0 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-N 117.832 0.816 . . . . 64.13 109.808 166.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.403 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 33.5 m95 -68.47 -30.24 69.06 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.646 0.779 . . . . 75.4 109.849 178.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -59.69 -49.9 75.95 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 114.095 -1.411 . . . . 71.14 110.344 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.7 mt -75.37 -19.23 59.69 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 115.043 -0.981 . . . . 73.04 110.954 -177.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.74 -50.1 68.2 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 109.476 -0.564 . . . . 71.55 109.476 167.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 30' ' ' TRP . 73.4 mt -68.39 -23.01 64.6 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 123.897 0.748 . . . . 73.41 111.741 -179.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -72.82 -59.06 2.89 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.48 0.712 . . . . 74.54 110.5 175.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.93 -11.16 59.91 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.0 0.52 . . . . 63.33 112.009 -178.305 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.404 ' HG3' ' CE3' ' A' 1008 ' ' TRP . 35.5 tt0 -45.43 -59.58 2.62 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.166 1.387 . . . . 64.14 112.67 178.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.5 m -60.72 -33.93 56.94 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 O-C-N 123.999 0.812 . . . . 53.35 111.669 -176.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.9 m -69.66 -39.52 76.99 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.946 0.899 . . . . 73.45 110.779 178.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -71.69 -44.6 63.94 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.516 -0.765 . . . . 71.35 110.448 -177.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 67.3 mt -71.26 -29.36 65.0 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.267 0.627 . . . . 73.12 110.696 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -66.75 -50.04 64.0 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 116.239 -0.437 . . . . 73.22 110.748 173.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.488 ' HA ' HG22 ' A' ' 46' ' ' THR . 66.2 p -64.21 -36.94 85.71 Favored 'General case' 0 CA--C 1.551 0.995 0 O-C-N 123.84 0.713 . . . . 55.52 110.751 -177.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.2 mt -57.58 -53.28 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 124.602 1.161 . . . . 72.43 110.858 171.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -63.93 -43.99 94.22 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.862 -0.608 . . . . 73.03 111.147 -174.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.488 HG22 ' HA ' ' A' ' 43' ' ' SER . 14.2 t -73.54 -29.75 62.65 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.334 0.653 . . . . 60.21 110.929 -175.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.481 ' HA ' ' HD3' ' A' ' 10' ' ' ARG . 2.3 p -78.45 -33.1 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 CA-C-N 118.122 0.419 . . . . 71.02 111.208 177.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 34.5 ttm -74.04 -29.49 61.94 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 109.191 -0.67 . . . . 73.32 109.191 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -70.82 -34.76 72.05 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 115.709 -0.678 . . . . 72.21 110.385 167.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.423 ' HG3' ' HD2' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -71.73 89.77 1.04 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.273 0.629 . . . . 64.34 109.779 -179.168 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -96.33 110.26 22.62 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 108.801 -0.814 . . . . 60.31 108.801 175.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 p -76.3 152.78 83.99 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 122.964 0.506 . . . . 72.41 111.745 178.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -58.08 158.1 22.83 Favored 'Trans proline' 0 C--N 1.378 2.089 0 C-N-CA 123.216 2.611 . . . . 70.4 112.478 171.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -49.04 -47.23 22.4 Favored 'Trans proline' 0 C--N 1.387 2.557 0 C-N-CA 123.82 3.014 . . . . 75.12 113.17 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.5 88.8 0.07 OUTLIER Glycine 0 C--N 1.348 1.203 0 O-C-N 123.941 0.775 . . . . 71.54 113.673 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.424 HD12 HG21 ' A' ' 60' ' ' ILE . 16.1 mm -115.65 114.91 47.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.575 1.15 . . . . 61.32 108.783 173.297 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.9 t -72.25 158.91 34.97 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-N 114.5 -1.227 . . . . 45.02 110.825 176.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.1 mtp-105 -66.51 -21.46 66.17 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 112.657 0.614 . . . . 55.43 112.657 -172.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 64.5 p -67.45 -51.29 53.29 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 122.751 0.421 . . . . 71.31 109.949 177.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.576 HG12 HD11 ' A' ' 8' ' ' ILE . 57.0 mt -58.23 -51.23 73.72 Favored 'Isoleucine or valine' 0 C--N 1.362 1.115 0 O-C-N 123.865 0.728 . . . . 73.43 109.308 174.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -55.61 -41.33 73.31 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 124.302 1.002 . . . . 52.04 111.529 -176.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -73.39 -50.94 19.22 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.288 0.635 . . . . 64.34 111.52 -176.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 73.5 mtm -62.92 -45.81 90.75 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.559 0.343 . . . . 72.13 110.681 -178.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.0 t -62.81 -45.58 98.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 123.876 0.87 . . . . 73.44 111.036 177.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.26 -24.61 67.36 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-N 117.893 0.315 . . . . 55.45 111.245 177.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.59 -44.3 50.01 Favored Glycine 0 C--N 1.348 1.244 0 N-CA-C 111.308 -0.717 . . . . 63.14 111.308 173.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -69.05 -33.48 73.66 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.288 0.635 . . . . 73.12 111.042 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 22.3 mt -68.95 -47.77 73.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 124.681 1.193 . . . . 75.35 109.562 178.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -66.23 -40.28 90.16 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.035 -0.53 . . . . 75.23 109.952 -178.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -60.81 -53.51 56.42 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 124.449 1.093 . . . . 74.45 109.416 177.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.454 ' OG1' HG22 ' A' ' 14' ' ' ILE . 5.3 t -71.52 -33.66 69.4 Favored 'General case' 0 C--O 1.207 -1.161 0 CA-C-O 118.761 -0.637 . . . . 75.22 112.336 -172.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.441 HD21 ' SD ' ' A' 1019 ' ' MET . 34.0 mt -72.05 -39.4 69.09 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 118.291 0.496 . . . . 75.53 110.836 178.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -68.34 -46.06 71.2 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-O 121.498 0.666 . . . . 64.14 110.472 179.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.436 HD22 ' N ' ' A' ' 74' ' ' ASN . 0.8 OUTLIER -72.14 -38.01 69.3 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 114.843 -1.071 . . . . 73.01 110.607 -176.613 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.435 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 34.9 tt0 -71.66 -31.82 67.23 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 123.798 0.686 . . . . 51.52 110.332 175.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -58.17 -53.99 52.02 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 109.073 -0.714 . . . . 71.23 109.073 174.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.8 mt -60.46 -40.74 92.28 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.594 -1.185 . . . . 74.03 111.151 177.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.435 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 21.2 mt -56.1 -60.43 3.49 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.757 0.823 . . . . 65.01 111.554 174.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -70.49 -28.31 64.88 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.56 0.744 . . . . 74.21 111.597 -168.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.78 -47.64 19.54 Favored Glycine 0 C--N 1.349 1.282 0 O-C-N 123.578 0.549 . . . . 71.54 111.941 174.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.455 HD22 ' HB1' ' A' ' 25' ' ' ALA . 7.2 tt -58.27 -47.7 82.79 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.828 0.851 . . . . 72.41 110.283 176.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.469 HD13 ' HE1' ' A' 1008 ' ' TRP . 41.5 mt -72.25 -31.87 66.18 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.826 1.25 . . . . 74.11 111.489 -176.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -61.15 -53.73 53.33 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 109.867 -0.42 . . . . 63.13 109.867 173.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.404 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 8.6 tt0 -68.98 -32.48 72.08 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.217 -0.901 . . . . 71.15 111.144 -178.263 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.42 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 27.4 tpt180 -70.23 -47.08 63.0 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.713 0.405 . . . . 75.1 109.933 -179.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.538 HD11 ' HB3' ' A' 1005 ' ' LEU . 83.6 mt -63.54 -32.0 73.34 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 123.461 0.476 . . . . 71.22 110.663 175.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -62.23 -44.18 97.16 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.199 0.6 . . . . 71.3 110.352 174.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.538 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 46.3 mt-10 -60.27 -55.97 27.27 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.563 0.745 . . . . 72.52 110.204 175.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.504 HD12 HD23 ' A' ' 86' ' ' LEU . 74.0 mt -54.42 -44.01 72.04 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.686 1.195 . . . . 64.41 111.141 -178.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 70.4 m -68.23 -31.63 71.27 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.554 0.742 . . . . 65.42 111.595 179.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.1 t -72.17 -27.52 62.63 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 123.306 0.643 . . . . 61.02 110.602 173.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 44.0 mt -80.25 -38.72 30.39 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.14 0.576 . . . . 73.24 110.506 177.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 94.9 mt -71.53 -47.62 57.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 124.506 1.122 . . . . 73.2 109.573 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 158.99 -79.57 0.17 Allowed Glycine 0 C--N 1.338 0.642 0 CA-C-N 115.479 -0.782 . . . . 73.41 111.176 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -160.46 143.29 13.26 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.443 0.697 . . . . 74.5 110.498 -176.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.2 m -136.7 163.69 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 C-N-CA 124.18 0.992 . . . . 73.34 109.413 171.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 60.9 mt -138.32 127.37 24.11 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 108.832 -0.803 . . . . 73.54 108.832 169.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -66.99 -27.46 67.46 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.97 0.908 . . . . 64.15 111.118 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -97.68 132.2 43.54 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 108.409 -0.96 . . . . 75.33 108.409 168.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 76.12 84.17 0.43 Allowed Glycine 0 CA--C 1.532 1.135 0 CA-C-O 119.856 -0.413 . . . . 73.33 112.251 -177.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -71.67 -0.85 8.94 Favored 'Trans proline' 0 CA--C 1.56 1.785 0 C-N-CA 122.844 2.363 . . . . 61.4 113.965 177.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.5 t -74.64 -48.28 27.25 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.285 0.634 . . . . 75.41 110.387 178.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -107.69 70.81 0.79 Allowed 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 121.728 0.775 . . . . 73.43 109.672 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 145.29 -175.92 24.59 Favored Glycine 0 C--N 1.337 0.616 0 CA-C-N 114.704 -1.134 . . . . 54.3 111.834 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.483 HD22 HG21 ' A' 1006 ' ' THR . 85.2 mt 60.95 40.71 15.12 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.451 1.1 . . . . 74.32 111.09 178.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 58.9 t 61.34 70.48 0.9 Allowed Pre-proline 0 CA--C 1.562 1.422 0 C-N-CA 124.861 1.264 . . . . 70.34 111.344 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -86.46 107.89 0.83 Allowed 'Trans proline' 0 C--N 1.378 2.116 0 C-N-CA 122.884 2.389 . . . . 70.02 111.344 177.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 61.17 25.93 15.88 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.207 1.003 . . . . 63.12 111.624 -175.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -81.18 -159.31 22.53 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-N 115.984 -0.553 . . . . 24.51 112.779 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.43 ' HB3' HG12 ' A' ' 113' ' ' ILE . 32.8 t -67.25 137.53 56.22 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.018 0.527 . . . . 54.43 110.684 -177.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -65.28 -26.72 71.78 Favored Glycine 0 C--N 1.347 1.188 0 CA-C-N 115.779 -0.646 . . . . 32.32 114.192 -173.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -71.36 -52.83 11.6 Favored Glycine 0 C--N 1.348 1.245 0 CA-C-N 116.747 0.274 . . . . 71.23 112.491 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.43 HG12 ' HB3' ' A' ' 110' ' ' SER . 26.0 pt -68.6 -23.62 28.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 123.366 0.666 . . . . 63.24 111.82 -179.467 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -49.69 -51.81 35.67 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.966 0.907 . . . . 74.42 111.079 175.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -59.44 -55.5 30.28 Favored Glycine 0 C--N 1.355 1.639 0 CA-C-N 114.875 -1.057 . . . . 52.3 112.329 178.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 50.1 ttp -56.04 -48.91 75.11 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.857 0.863 . . . . 72.44 112.318 -177.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 33.7 p -71.53 -48.21 50.17 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 118.898 -0.572 . . . . 62.51 111.51 -174.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 5.4 t -63.22 -43.14 98.95 Favored 'General case' 0 C--N 1.359 1.014 0 CA-C-N 118.248 0.476 . . . . 75.24 110.047 -177.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 71.3 mtt-85 -60.82 -57.02 14.42 Favored 'General case' 0 C--N 1.357 0.899 0 CA-C-N 115.567 -0.742 . . . . 71.1 110.376 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . 0.6 ' HA ' ' HB3' ' A' 1008 ' ' TRP . 72.4 mt -67.27 -26.12 66.4 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.062 0.764 . . . . 62.25 113.062 -174.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1006 ' ' THR . . . . . 0.483 HG21 HD22 ' A' ' 105' ' ' LEU . 42.2 p -71.63 -48.95 44.47 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 118.951 0.796 . . . . 72.22 110.103 174.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 34.8 mtt180 -61.5 -31.73 71.72 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-O 121.179 0.514 . . . . 65.32 110.373 175.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1008 ' ' TRP . . . . . 0.6 ' HB3' ' HA ' ' A' 1005 ' ' LEU . 4.1 t-105 -70.32 -45.81 65.47 Favored 'General case' 0 C--O 1.218 -0.597 0 C-N-CA 125.235 1.414 . . . . 73.11 111.055 -178.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1009 ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' 1005 ' ' LEU . 71.5 mt -71.05 -34.5 71.29 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 109.062 -0.718 . . . . 64.32 109.062 -177.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 84.5 m -59.62 -44.23 93.53 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 114.837 -1.074 . . . . 63.3 110.469 169.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -71.77 -28.95 63.97 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.701 0.8 . . . . 42.03 111.858 -178.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1012 ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' 1008 ' ' TRP . 22.8 mt -73.14 -41.09 64.34 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 109.267 -0.642 . . . . 73.4 109.267 178.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 29.2 t70 -73.98 -31.72 63.11 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 115.543 -0.753 . . . . 72.12 110.391 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 54.8 t30 -65.14 -46.42 81.02 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.021 0.928 . . . . 63.3 109.557 175.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 47.5 t80 -57.6 -62.02 2.09 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 114.699 -1.137 . . . . 74.34 110.188 174.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -49.62 -42.98 46.32 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 124.682 1.239 . . . . 75.02 111.847 -178.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -64.61 -63.4 1.14 Allowed 'General case' 0 C--N 1.348 0.528 0 O-C-N 123.816 0.697 . . . . 73.13 111.285 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 14.6 mptt -61.91 -34.03 75.32 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.579 0.352 . . . . 74.45 111.575 -176.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1019 ' ' MET . . . . . 0.625 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.1 OUTLIER -78.83 -32.25 46.1 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.486 -0.324 . . . . 75.33 110.528 -173.508 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -70.76 -31.1 67.78 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 120.842 0.354 . . . . 74.11 110.521 170.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 95.5 mt -82.6 -14.4 54.86 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-O 118.279 -0.867 . . . . 74.32 112.169 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1022 ' ' LEU . . . . . 0.625 ' HG ' ' HA ' ' A' 1019 ' ' MET . 45.4 mt -44.27 109.22 0.81 Allowed Pre-proline 0 N--CA 1.502 2.144 0 C-N-CA 123.57 0.748 . . . . 75.21 111.711 176.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.13 -15.72 22.93 Favored 'Trans proline' 0 C--N 1.375 1.924 0 C-N-CA 122.272 1.981 . . . . 72.25 112.108 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -71.73 -78.84 0.08 Allowed 'General case' 0 C--N 1.351 0.644 0 C-N-CA 123.659 0.783 . . . . 55.03 110.022 175.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1025 ' ' VAL . . . . . . . . . . . . . 49.8 t . . . . . 0 C--O 1.248 1.017 0 N-CA-C 107.458 -1.312 . . . . 54.42 107.458 -179.835 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 ppp? . . . . . 0 N--CA 1.482 1.147 0 N-CA-C 111.866 0.321 . . . . 63.52 111.866 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 t -63.51 -49.95 71.53 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 122.498 0.319 . . . . 72.35 110.72 -178.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.8 m -61.71 -35.1 77.08 Favored 'General case' 0 C--N 1.349 0.572 0 C-N-CA 123.267 0.627 . . . . 64.42 110.751 -178.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.9 m -61.82 -58.92 6.11 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.407 1.083 . . . . 43.04 111.57 176.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.7 p -64.33 -37.96 81.31 Favored 'Isoleucine or valine' 0 C--N 1.358 0.962 0 O-C-N 123.273 0.358 . . . . 75.24 110.78 -174.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -61.96 -59.25 5.39 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 109.431 -0.581 . . . . 74.31 109.431 177.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -48.62 -49.55 36.59 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.889 1.275 . . . . 74.34 111.724 -176.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.543 HD11 HG12 ' A' ' 60' ' ' ILE . 75.7 mt -69.46 -42.61 80.98 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.974 0 CA-C-N 115.341 -0.845 . . . . 73.51 111.45 -177.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.62 -24.93 61.13 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 122.772 0.429 . . . . 73.1 111.732 -179.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.468 HH11 ' HB2' ' A' ' 50' ' ' LYS . 77.9 mtt180 -77.36 -49.7 14.36 Favored 'General case' 0 C--O 1.219 -0.512 0 N-CA-C 108.657 -0.868 . . . . 74.14 108.657 178.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 53.8 m95 -58.32 -38.28 76.8 Favored 'General case' 0 N--CA 1.485 1.29 0 O-C-N 123.522 0.514 . . . . 73.51 110.99 173.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.414 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 62.8 tt0 -61.0 -50.58 72.82 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 123.987 0.805 . . . . 74.21 109.929 176.075 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -57.36 -44.15 84.1 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 124.466 1.104 . . . . 73.13 111.22 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 84.3 mt -69.13 -36.73 74.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.338 1.055 . . . . 73.03 110.647 -178.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.1 -43.92 90.53 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.026 0.53 . . . . 43.34 110.465 177.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.609 ' HA ' HE21 ' A' ' 19' ' ' GLN . 95.8 mt -63.92 -47.51 80.24 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 124.513 1.125 . . . . 72.45 110.351 178.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.5 mt -63.25 -42.79 99.21 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.702 0.801 . . . . 71.15 110.645 178.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.7 t -66.38 -45.85 78.65 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.226 0.611 . . . . 65.44 110.787 -174.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.609 HE21 ' HA ' ' A' ' 16' ' ' LEU . 30.2 pt20 -70.81 -35.24 72.42 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 123.456 0.472 . . . . 73.23 110.825 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.2 m -62.4 -54.81 34.79 Favored 'General case' 0 C--N 1.36 1.033 0 O-C-N 123.365 0.416 . . . . 73.13 110.045 176.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.675 HD21 ' HB2' ' A' ' 36' ' ' GLN . 93.6 mt -59.28 -32.22 69.82 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.718 1.207 . . . . 73.4 111.225 179.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.55 HD22 ' HA ' ' A' ' 74' ' ' ASN . 57.6 tp -66.3 -52.19 49.86 Favored 'General case' 0 C--N 1.35 0.587 0 C-N-CA 123.054 0.541 . . . . 51.43 111.109 176.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.507 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 32.6 mt-10 -55.61 -48.77 74.35 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 124.265 0.978 . . . . 72.12 109.751 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.553 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 93.4 mt -63.69 -35.91 82.11 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 114.275 -1.33 . . . . 72.35 111.402 -178.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.559 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -63.91 -43.28 96.44 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.113 0.565 . . . . 73.23 110.551 175.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -70.79 -22.38 62.37 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 114.961 -1.018 . . . . 74.13 111.739 176.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 29.3 mmt180 -84.54 -25.87 28.45 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.898 0.479 . . . . 74.03 111.004 174.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.21 18.44 36.51 Favored Glycine 0 C--N 1.351 1.416 0 N-CA-C 113.891 0.316 . . . . 72.25 113.891 -175.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.553 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 20.3 mm-40 -82.04 67.7 8.15 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.434 1.094 . . . . 72.3 110.779 177.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.4 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 40.8 m95 -66.33 -33.42 75.69 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.352 0.661 . . . . 73.45 111.701 -172.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -64.62 -40.53 95.64 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.55 0.74 . . . . 72.25 111.033 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.404 HD12 HD22 ' A' ' 24' ' ' LEU . 62.9 mt -67.57 -33.02 74.18 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 122.607 0.363 . . . . 63.11 110.549 178.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.642 ' HA ' HD22 ' A' ' 21' ' ' LEU . 11.2 mp -61.9 -48.8 78.83 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.926 0.49 . . . . 42.42 111.129 169.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.401 HD13 HH11 ' A' 1004 ' ' ARG . 93.9 mt -67.39 -26.49 66.48 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.481 0.712 . . . . 63.25 112.037 -178.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -76.09 -58.12 3.47 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.682 0.793 . . . . 72.43 110.416 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.675 ' HB2' HD21 ' A' ' 21' ' ' LEU . 11.1 mt-30 -76.06 -10.0 59.06 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.419 1.088 . . . . 75.01 111.907 -178.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.413 ' HG3' ' CE3' ' A' 1008 ' ' TRP . 35.2 tt0 -44.92 -54.56 6.35 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.848 1.259 . . . . 71.34 111.779 171.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.2 p -57.84 -47.31 86.48 Favored 'Isoleucine or valine' 0 C--N 1.355 0.845 0 O-C-N 123.855 0.722 . . . . 70.25 110.761 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.8 m -61.8 -40.13 94.17 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.408 0.683 . . . . 72.35 111.508 -177.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -70.8 -49.2 49.02 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.132 0.973 . . . . 72.53 110.902 -176.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.2 mt -69.9 -33.98 72.91 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.014 0.525 . . . . 75.12 111.334 -176.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -72.3 -40.83 67.24 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 119.102 -0.475 . . . . 73.32 110.913 177.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 77.7 p -66.98 -35.75 80.66 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 122.595 0.358 . . . . 60.55 111.096 177.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.6 mt -57.8 -51.97 63.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 124.829 1.252 . . . . 73.44 110.518 171.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -63.88 -35.71 81.54 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 114.547 -1.206 . . . . 73.03 109.531 -177.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.99 -40.84 68.28 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.967 1.707 . . . . 71.43 112.453 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.3 p -75.46 -33.58 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 O-C-N 122.019 -0.426 . . . . 65.55 109.858 -177.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 35.4 ttm -73.96 -33.21 63.8 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.721 -0.672 . . . . 43.42 109.263 178.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -68.01 -29.36 68.34 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.701 0.8 . . . . 71.02 111.194 171.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.468 ' HB2' HH11 ' A' ' 10' ' ' ARG . 0.2 OUTLIER -67.5 106.85 2.27 Favored 'General case' 0 C--N 1.356 0.882 0 C-N-CA 122.796 0.438 . . . . 72.25 110.514 179.564 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -94.27 105.01 17.0 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.53 -0.759 . . . . 61.52 109.848 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 24.6 p -95.68 152.34 39.07 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 124.072 0.949 . . . . 71.35 109.947 171.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_exo -61.76 155.18 55.75 Favored 'Trans proline' 0 C--N 1.379 2.166 0 C-N-CA 122.471 2.114 . . . . 73.51 112.346 176.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -52.75 -45.37 40.99 Favored 'Trans proline' 0 C--N 1.381 2.285 0 C-N-CA 123.712 2.941 . . . . 64.21 113.459 178.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -67.72 80.91 0.17 Allowed Glycine 0 C--N 1.346 1.118 0 O-C-N 123.907 0.754 . . . . 74.55 114.04 -178.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.54 HD12 HG21 ' A' ' 60' ' ' ILE . 23.0 mm -90.44 135.68 25.88 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 C-N-CA 124.211 1.004 . . . . 73.31 109.433 176.183 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.8 t -105.26 -179.84 4.06 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.187 0.995 . . . . 74.14 111.172 -169.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -42.89 -63.68 0.75 Allowed 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.941 1.696 . . . . 72.51 113.322 -173.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.3 m -64.74 -45.64 85.62 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 124.034 0.834 . . . . 74.24 111.742 -172.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.543 HG12 HD11 ' A' ' 8' ' ' ILE . 36.5 mt -60.77 -51.82 68.77 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 O-C-N 123.554 0.533 . . . . 65.52 109.925 -177.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -57.54 -49.69 75.54 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.513 0.725 . . . . 74.43 111.116 -178.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -64.95 -54.3 32.81 Favored 'General case' 0 C--O 1.248 0.981 0 O-C-N 123.879 0.737 . . . . 72.44 111.866 -174.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 73.9 mtm -61.85 -52.08 65.6 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.149 0.58 . . . . 73.04 111.064 -177.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.3 t -59.39 -44.92 93.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 123.333 0.653 . . . . 71.42 111.159 -179.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.47 -35.98 79.16 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 123.344 0.402 . . . . 64.34 111.253 178.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.71 -44.06 98.06 Favored Glycine 0 C--N 1.355 1.627 0 O-C-N 123.363 0.415 . . . . 74.53 112.301 173.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -70.12 -25.97 63.74 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.592 0.757 . . . . 54.12 111.375 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.497 HG12 ' HE1' ' A' 1019 ' ' MET . 30.6 mt -71.86 -45.69 63.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.389 1.076 . . . . 75.04 109.856 176.309 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -59.05 -42.43 90.3 Favored 'General case' 0 C--O 1.244 0.813 0 O-C-N 123.691 0.619 . . . . 73.22 110.078 175.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -59.17 -62.44 1.88 Allowed 'General case' 0 C--N 1.352 0.706 0 O-C-N 124.293 0.996 . . . . 61.11 110.489 176.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.8 t -63.67 -37.24 86.6 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 112.206 0.447 . . . . 51.32 112.206 -169.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.448 HD21 ' SD ' ' A' 1019 ' ' MET . 66.9 mt -75.75 -40.48 55.31 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 112.968 0.729 . . . . 74.02 112.968 -178.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -73.78 -40.89 63.11 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-N 118.511 0.596 . . . . 70.11 110.931 178.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.55 ' HA ' HD22 ' A' ' 22' ' ' LEU . 83.3 m-20 -64.32 -37.77 88.67 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.207 0.603 . . . . 73.11 110.239 177.051 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.498 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 16.3 tt0 -72.3 -35.71 68.75 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 123.423 0.452 . . . . 64.03 111.144 175.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -57.64 -48.24 80.0 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 121.637 0.732 . . . . 74.32 109.459 177.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.8 mt -70.74 -38.81 73.56 Favored 'General case' 0 CA--C 1.554 1.121 0 CA-C-N 114.134 -1.393 . . . . 74.41 111.372 178.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.498 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 5.0 mt -57.56 -61.59 2.4 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 124.083 0.953 . . . . 62.5 110.395 176.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.443 ' HG3' HD22 ' A' 1009 ' ' LEU . 33.9 ttpt -63.95 -35.64 81.33 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.803 1.641 . . . . 53.25 111.582 -174.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.73 -51.54 52.99 Favored Glycine 0 C--N 1.351 1.394 0 O-C-N 123.409 0.443 . . . . 73.03 112.129 173.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.559 HD22 ' HB1' ' A' ' 25' ' ' ALA . 9.7 tt -62.86 -42.38 99.73 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.217 1.007 . . . . 70.23 111.08 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.434 HD13 ' HE1' ' A' 1008 ' ' TRP . 23.2 mt -74.06 -36.8 64.38 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.928 0.891 . . . . 73.21 111.302 -174.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.62 -45.08 95.59 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 123.695 0.622 . . . . 63.54 109.524 172.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -61.09 -39.71 90.99 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.144 -0.935 . . . . 63.11 110.756 176.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -73.42 -35.78 65.87 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.501 0.72 . . . . 65.24 112.208 -177.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.1 mt -72.92 -36.07 67.17 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 110.082 -0.34 . . . . 64.4 110.082 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -66.86 -38.85 87.16 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 123.724 0.64 . . . . 54.04 110.658 173.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.532 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 43.1 tt0 -64.09 -47.94 78.09 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.592 0.757 . . . . 65.31 110.277 176.264 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 68.9 mt -56.63 -40.94 76.27 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.2 1.0 . . . . 74.31 110.817 177.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 70.8 m -61.4 -42.1 98.19 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.528 0.731 . . . . 64.44 111.23 176.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.5 m -66.1 -31.95 73.12 Favored 'General case' 0 CA--C 1.552 1.038 0 CA-C-N 115.916 -0.584 . . . . 75.14 111.727 177.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 35.5 mt -71.86 -39.84 69.41 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.421 0.688 . . . . 71.43 110.199 178.288 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.413 HD11 HD11 ' A' ' 113' ' ' ILE . 90.4 mt -62.73 -32.67 56.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 C-N-CA 124.611 1.164 . . . . 54.21 109.908 171.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 91.11 26.49 21.46 Favored Glycine 0 C--N 1.341 0.824 0 CA-C-N 115.024 -0.989 . . . . 21.35 112.619 176.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -138.46 161.94 35.73 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.151 0.98 . . . . 63.04 109.996 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 81.8 t -104.16 137.28 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 124.316 1.046 . . . . 73.42 110.062 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.623 ' HA ' ' HG ' ' A' ' 105' ' ' LEU . 50.2 tp -59.23 -46.58 88.08 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.76 0.824 . . . . 74.0 111.803 -177.243 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -98.91 100.91 12.15 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.669 0.747 . . . . 73.52 110.511 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.05 1.83 6.52 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.094 1.358 . . . . 71.14 109.57 176.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -162.29 155.16 26.36 Favored Glycine 0 C--N 1.342 0.909 0 N-CA-C 110.302 -1.119 . . . . 52.12 110.302 176.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -63.79 -28.17 67.99 Favored 'Trans proline' 0 C--N 1.375 1.952 0 C-N-CA 122.666 2.244 . . . . 74.42 112.555 -175.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 40.2 t -132.58 83.95 2.11 Favored 'General case' 0 C--O 1.242 0.697 0 N-CA-C 108.879 -0.786 . . . . 51.22 108.879 170.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -168.74 154.43 6.52 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.573 0.749 . . . . 74.51 111.007 178.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -137.9 -147.42 5.21 Favored Glycine 0 C--N 1.351 1.376 0 CA-C-N 115.992 -0.549 . . . . 61.24 112.141 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.623 ' HG ' ' HA ' ' A' ' 97' ' ' LEU . 55.3 mt -126.38 156.34 40.69 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.395 0.678 . . . . 75.32 111.084 178.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 27.7 m 34.32 58.9 2.12 Favored Pre-proline 0 CA--C 1.564 1.509 0 C-N-CA 127.098 2.159 . . . . 63.13 114.966 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -83.7 0.17 9.48 Favored 'Trans proline' 0 C--N 1.377 2.052 0 C-N-CA 122.486 2.124 . . . . 71.24 111.811 -178.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 -155.29 37.1 0.38 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.488 1.515 . . . . 63.42 108.804 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -75.06 -150.98 2.58 Favored Glycine 0 C--N 1.351 1.401 0 CA-C-N 115.275 -0.875 . . . . 44.53 113.884 -179.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 44.8 p -96.66 79.45 3.0 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 122.831 0.452 . . . . 64.13 111.807 -177.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 60.96 -91.57 0.06 OUTLIER Glycine 0 C--N 1.351 1.412 0 N-CA-C 115.46 0.944 . . . . 64.31 115.46 167.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -68.04 -22.89 74.42 Favored Glycine 0 C--N 1.352 1.448 0 N-CA-C 114.506 0.562 . . . . 72.5 114.506 -171.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.413 HD11 HD11 ' A' ' 93' ' ' ILE . 15.6 tt -71.98 -35.52 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 CA-C-N 117.017 0.409 . . . . 65.11 110.001 176.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -64.65 -43.75 92.63 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 123.445 0.698 . . . . 65.1 109.123 176.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -56.5 -58.33 14.9 Favored Glycine 0 C--N 1.352 1.472 0 O-C-N 124.235 0.96 . . . . 43.2 111.797 174.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 50.5 ttp -52.94 -52.42 58.01 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.462 1.105 . . . . 64.21 112.343 -178.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 36.1 p -67.47 -55.14 14.8 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.056 0.542 . . . . 72.45 111.642 -175.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 33.0 m -60.4 -44.85 95.29 Favored 'General case' 0 CA--C 1.549 0.94 0 O-C-N 123.462 0.476 . . . . 73.21 110.932 -175.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1004 ' ' ARG . . . . . 0.401 HH11 HD13 ' A' ' 34' ' ' LEU . 56.8 mtt85 -57.77 -61.65 2.37 Favored 'General case' 0 C--N 1.354 0.785 0 O-C-N 124.102 0.876 . . . . 44.51 110.415 177.192 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . 0.541 ' O ' ' HG ' ' A' 1009 ' ' LEU . 63.5 mt -61.4 -36.91 81.62 Favored 'General case' 0 C--N 1.362 1.126 0 O-C-N 124.015 0.822 . . . . 62.21 112.761 -173.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 44.4 p -66.02 -49.87 66.2 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 118.231 0.469 . . . . 73.11 110.88 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 74.7 mtp85 -67.1 -25.45 66.22 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-O 120.8 0.333 . . . . 72.01 111.079 177.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1008 ' ' TRP . . . . . 0.507 ' O ' ' HG ' ' A' 1012 ' ' LEU . 0.1 OUTLIER -71.31 -42.6 68.43 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.619 1.167 . . . . 73.42 109.673 176.639 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1009 ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' 1005 ' ' LEU . 89.4 mt -69.43 -33.06 72.4 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.765 -0.828 . . . . 60.52 108.765 -178.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 71.5 m -63.63 -44.48 93.77 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 114.735 -1.121 . . . . 73.31 111.288 173.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -70.32 -24.74 63.06 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.365 0.666 . . . . 63.42 111.284 176.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1012 ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' 1008 ' ' TRP . 31.6 mt -71.88 -45.65 60.58 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 123.172 0.589 . . . . 72.42 110.154 175.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -64.55 -36.35 83.92 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.147 0.579 . . . . 60.55 111.04 176.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 6.1 t30 -57.66 -54.15 50.18 Favored 'General case' 0 C--O 1.246 0.906 0 C-N-CA 124.55 1.14 . . . . 71.34 110.272 174.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 41.1 t80 -60.56 -61.92 2.24 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 114.559 -1.201 . . . . 64.13 110.55 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -43.22 -51.69 5.99 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 124.851 1.344 . . . . 65.14 112.128 178.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1017 ' ' ALA . . . . . 0.42 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -59.96 -61.81 2.33 Favored 'General case' 0 C--N 1.352 0.675 0 O-C-N 124.052 0.845 . . . . 73.12 111.284 -178.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -64.87 -35.37 80.9 Favored 'General case' 0 C--O 1.247 0.967 0 O-C-N 123.541 0.526 . . . . 73.04 112.299 -172.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1019 ' ' MET . . . . . 0.557 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.2 OUTLIER -81.48 -26.28 35.35 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 116.528 -0.305 . . . . 63.5 111.264 -175.08 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -77.06 -25.39 52.34 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 110.135 -0.32 . . . . 64.54 110.135 171.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1021 ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' 1017 ' ' ALA . 76.2 mt -83.06 -12.02 57.51 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 115.902 -0.59 . . . . 74.44 111.952 175.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1022 ' ' LEU . . . . . 0.557 ' HG ' ' HA ' ' A' 1019 ' ' MET . 93.7 mt -56.49 113.18 5.47 Favored Pre-proline 0 N--CA 1.492 1.674 0 CA-C-O 119.291 -0.385 . . . . 74.32 110.326 163.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -89.78 -6.54 4.93 Favored 'Trans proline' 0 C--N 1.375 1.937 0 C-N-CA 122.454 2.103 . . . . 72.45 113.037 175.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -70.56 -50.42 37.59 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.037 0.935 . . . . 62.53 110.545 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1025 ' ' VAL . . . . . . . . . . . . . 5.2 m . . . . . 0 C--O 1.249 1.077 0 CA-C-N 114.488 -1.233 . . . . 75.32 109.934 -174.583 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ptt? . . . . . 0 N--CA 1.479 0.991 0 CA-C-O 119.708 -0.187 . . . . 75.23 111.128 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.416 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 15.3 t -61.12 -37.85 84.25 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 122.955 0.502 . . . . 62.12 112.102 -172.446 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.5 m -65.58 -38.62 90.03 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.597 0.759 . . . . 73.53 110.648 178.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 52.2 m -64.45 -44.37 91.32 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 124.575 1.15 . . . . 55.11 111.107 175.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 89.6 t -65.91 -44.73 92.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 122.737 0.415 . . . . 51.35 110.085 -178.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 2' ' ' THR . 30.5 mm-40 -58.28 -49.79 75.91 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 123.303 0.377 . . . . 74.0 110.177 175.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -54.21 -59.16 5.04 Favored 'General case' 0 CA--C 1.557 1.237 0 C-N-CA 124.389 1.076 . . . . 74.22 111.495 -177.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 71.9 mt -63.24 -42.32 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 124.362 1.065 . . . . 51.43 111.44 -176.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.79 -29.39 62.16 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 122.94 0.496 . . . . 75.33 111.907 -175.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.5 ' O ' HG13 ' A' ' 14' ' ' ILE . 85.8 mtt180 -74.46 -41.87 60.05 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 109.607 -0.516 . . . . 72.32 109.607 176.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 67.3 m95 -62.94 -39.28 94.15 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 123.238 0.336 . . . . 75.5 111.112 174.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -61.54 -44.06 97.73 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.812 0.845 . . . . 73.03 109.837 174.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -60.82 -43.54 98.1 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.252 1.021 . . . . 71.3 110.781 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.546 HG22 ' OG1' ' A' ' 71' ' ' THR . 79.5 mt -70.06 -38.55 75.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 123.696 0.798 . . . . 64.24 110.651 -178.355 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.47 -46.81 81.48 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.131 0.572 . . . . 63.32 110.901 177.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.52 -45.29 93.67 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.358 -0.837 . . . . 74.12 110.814 177.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.481 HD13 ' HA ' ' A' ' 40' ' ' TYR . 31.1 mt -60.68 -52.3 65.71 Favored 'General case' 0 C--O 1.213 -0.834 0 CA-C-N 116.05 -0.523 . . . . 74.53 110.41 179.34 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.6 p -63.15 -42.12 99.39 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.347 0.659 . . . . 63.41 112.314 -174.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.436 ' O ' ' HG3' ' A' ' 23' ' ' GLU . 13.8 pt20 -67.28 -40.55 86.14 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 123.413 0.446 . . . . 71.12 110.728 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.7 m -61.74 -50.45 72.36 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 123.468 0.48 . . . . 75.31 110.212 176.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.557 ' HA ' HD12 ' A' ' 24' ' ' LEU . 62.7 mt -58.6 -35.57 72.65 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.834 1.254 . . . . 73.44 111.024 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.8 tp -65.61 -51.45 59.58 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 123.7 0.625 . . . . 74.41 110.357 178.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 19' ' ' GLN . 44.1 mt-10 -59.82 -37.69 79.9 Favored 'General case' 0 N--CA 1.484 1.238 0 O-C-N 124.13 0.894 . . . . 75.41 111.001 -179.091 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.564 HD13 ' HB2' ' A' ' 32' ' ' LEU . 38.5 mt -64.64 -46.18 83.64 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 114.556 -1.202 . . . . 73.22 110.587 176.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.475 ' HB2' HD21 ' A' ' 33' ' ' LEU . . . -71.1 -31.98 68.48 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.387 0.675 . . . . 75.1 111.562 -178.4 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -68.35 -39.66 81.77 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.954 0.902 . . . . 63.32 110.302 175.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -85.78 -19.96 29.95 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 123.158 0.583 . . . . 73.35 110.954 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.06 11.03 47.26 Favored Glycine 0 C--N 1.349 1.28 0 N-CA-C 115.747 1.059 . . . . 75.03 115.747 177.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -77.86 91.28 4.13 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-N 118.729 1.265 . . . . 73.34 110.533 169.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 33.8 m95 -79.78 -13.53 59.37 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.778 0.831 . . . . 74.21 111.002 176.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -57.36 -59.85 4.51 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.067 1.347 . . . . 74.12 111.634 -177.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.564 ' HB2' HD13 ' A' ' 24' ' ' LEU . 69.5 mt -71.42 -16.43 62.39 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 114.974 -1.012 . . . . 75.52 111.381 -178.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.475 HD21 ' HB2' ' A' ' 25' ' ' ALA . 11.0 mp -66.0 -51.16 60.84 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 109.352 -0.61 . . . . 71.33 109.352 167.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.3 mt -69.61 -25.07 63.77 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 123.67 0.606 . . . . 74.33 111.967 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -80.33 -58.37 3.17 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 121.341 0.591 . . . . 71.21 109.863 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -73.44 -9.83 59.09 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.581 1.152 . . . . 62.02 112.0 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.415 ' HA ' ' CZ3' ' A' 1008 ' ' TRP . 42.1 tt0 -43.63 -57.66 3.05 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 124.855 1.262 . . . . 74.43 112.648 174.303 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.0 p -60.73 -37.12 75.14 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 O-C-N 123.659 0.599 . . . . 62.41 110.899 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.8 m -76.61 -30.43 56.94 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.737 0.815 . . . . 72.11 112.381 -175.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.481 ' HA ' HD13 ' A' ' 17' ' ' LEU . 34.7 t80 -77.66 -44.11 29.13 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 109.305 -0.628 . . . . 74.04 109.305 -179.336 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.0 mt -73.04 -26.63 61.37 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 115.779 -0.646 . . . . 62.23 110.834 178.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -69.65 -47.79 62.12 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.774 0.429 . . . . 73.13 110.336 173.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.417 ' HA ' HG22 ' A' ' 46' ' ' THR . 59.5 p -63.87 -40.14 95.85 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 122.889 0.476 . . . . 70.44 110.948 -179.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 25.8 mt -57.46 -52.79 52.52 Favored 'Isoleucine or valine' 0 C--O 1.248 1.016 0 C-N-CA 124.249 1.02 . . . . 71.33 110.436 173.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.31 -44.0 97.52 Favored 'General case' 0 C--N 1.347 0.491 0 CA-C-N 115.335 -0.848 . . . . 73.11 111.159 -175.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.482 HG23 ' HD3' ' A' ' 10' ' ' ARG . 12.1 t -75.97 -29.33 58.21 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 122.867 0.467 . . . . 74.4 111.86 -173.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 p -77.0 -36.67 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 CA-C-N 118.426 0.557 . . . . 75.2 110.035 177.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 52.5 ttm -74.27 -25.82 59.84 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 116.001 -0.545 . . . . 70.12 109.544 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -80.64 -25.26 38.45 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.968 0.907 . . . . 65.21 110.623 173.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.526 ' HA ' ' HE2' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -69.01 101.51 1.41 Allowed 'General case' 0 C--N 1.351 0.648 0 C-N-CA 122.806 0.442 . . . . 72.24 110.837 -177.213 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -61.09 120.76 10.91 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-N 115.569 -0.741 . . . . 72.14 109.483 173.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.1 m -98.23 138.51 20.88 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 124.216 1.006 . . . . 74.54 109.729 -175.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -54.33 152.47 25.66 Favored 'Trans proline' 0 C--N 1.382 2.297 0 C-N-CA 122.402 2.068 . . . . 60.41 112.346 171.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -61.74 -47.7 10.55 Favored 'Trans proline' 0 C--N 1.38 2.217 0 C-N-CA 123.106 2.537 . . . . 72.45 112.281 -177.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -73.27 75.13 0.99 Allowed Glycine 0 C--N 1.348 1.215 0 O-C-N 123.921 0.763 . . . . 40.11 113.536 -177.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.412 HG13 ' HB2' ' A' ' 61' ' ' GLN . 5.4 tp -79.92 98.99 3.51 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 C-N-CA 123.937 0.895 . . . . 75.52 108.671 175.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.419 HG22 HD12 ' A' ' 60' ' ' ILE . 10.5 t -81.34 172.81 13.12 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.922 0.489 . . . . 52.15 111.213 -174.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -66.74 -43.7 83.48 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.341 1.057 . . . . 74.24 112.579 -165.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.3 m -67.85 -43.77 78.71 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 122.729 0.412 . . . . 53.55 111.779 -177.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.419 HD12 HG22 ' A' ' 57' ' ' THR . 70.4 mt -60.92 -52.92 56.13 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 O-C-N 123.638 0.586 . . . . 74.35 109.442 176.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.412 ' HB2' HG13 ' A' ' 56' ' ' ILE . 52.6 tt0 -62.93 -31.35 72.41 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 123.896 0.748 . . . . 53.25 111.561 -177.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -68.65 -53.57 21.68 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.7 0.4 . . . . 71.04 110.307 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 74.7 mtm -61.34 -49.85 75.33 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 124.076 0.86 . . . . 72.55 110.602 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.3 t -58.69 -50.44 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 124.53 1.132 . . . . 72.13 111.192 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.403 ' O ' ' HG2' ' A' ' 69' ' ' LYS . . . -63.63 -28.59 70.02 Favored 'General case' 0 N--CA 1.482 1.162 0 O-C-N 123.474 0.484 . . . . 75.34 111.036 178.309 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.5 -51.98 54.21 Favored Glycine 0 C--N 1.352 1.453 0 N-CA-C 111.043 -0.823 . . . . 40.34 111.043 172.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -64.03 -32.08 73.5 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.765 0.826 . . . . 75.3 111.329 178.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 53.4 mt -67.29 -49.89 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.361 1.065 . . . . 74.54 110.331 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 10.2 mmpt? -63.57 -41.52 98.38 Favored 'General case' 0 C--O 1.246 0.89 0 O-C-N 123.293 0.37 . . . . 73.51 110.463 -178.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -59.17 -58.34 9.08 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 124.578 1.174 . . . . 71.41 110.011 176.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.546 ' OG1' HG22 ' A' ' 14' ' ' ILE . 6.5 t -65.25 -39.1 92.21 Favored 'General case' 0 C--O 1.214 -0.798 0 N-CA-C 112.217 0.451 . . . . 54.53 112.217 -170.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 68.8 mt -67.55 -35.4 78.99 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.131 0.572 . . . . 72.03 111.819 177.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -67.49 -50.77 57.46 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-O 120.847 0.356 . . . . 75.4 110.478 176.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -65.84 -36.61 83.96 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.778 0.831 . . . . 71.21 111.301 -178.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -73.69 -34.39 64.85 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.734 0.814 . . . . 55.52 110.56 178.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -61.85 -47.01 86.96 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-O 121.33 0.586 . . . . 71.41 109.854 174.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 81.9 mt -64.16 -41.74 97.03 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.799 -1.091 . . . . 64.54 110.566 177.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.4 mt -57.53 -45.87 84.52 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.899 0.88 . . . . 64.2 110.832 172.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.448 ' HA ' HD22 ' A' 1009 ' ' LEU . 82.8 tttt -62.02 -51.37 68.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.802 -1.09 . . . . 74.14 110.297 -172.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -69.74 -39.66 76.71 Favored Glycine 0 C--N 1.353 1.522 0 O-C-N 124.029 0.831 . . . . 74.42 112.864 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.408 HD22 ' HB1' ' A' ' 25' ' ' ALA . 9.3 tt -58.23 -61.57 2.47 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.107 0.963 . . . . 73.34 109.227 179.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.524 ' HB2' HD21 ' A' 1009 ' ' LEU . 27.1 mt -62.72 -33.13 74.5 Favored 'General case' 0 C--O 1.212 -0.876 0 C-N-CA 124.711 1.204 . . . . 71.5 111.777 -178.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -62.07 -50.07 73.44 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.794 0.438 . . . . 72.45 110.893 177.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -75.32 -24.48 57.41 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 123.304 0.377 . . . . 62.41 111.211 -178.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.405 ' HA ' ' NE ' ' A' ' 85' ' ' ARG . 13.6 mmp_? -72.55 -44.96 61.41 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 123.501 0.501 . . . . 65.1 109.903 175.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.437 HD11 ' HB3' ' A' 1005 ' ' LEU . 89.1 mt -68.74 -37.61 79.54 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.295 0.638 . . . . 74.31 110.792 179.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.72 -50.63 71.65 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 124.241 0.963 . . . . 71.13 109.791 176.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.479 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 36.7 tt0 -57.61 -56.87 16.36 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.302 -0.863 . . . . 72.13 111.207 175.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 82.4 mt -55.29 -44.21 75.51 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.684 1.194 . . . . 72.35 111.593 -178.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 92.2 p -71.27 -23.81 62.05 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 122.325 0.25 . . . . 55.41 110.948 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.3 t -77.39 -35.01 54.73 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 123.076 0.551 . . . . 73.4 111.396 171.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 46.5 mt -72.37 -43.53 63.86 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.546 0.689 . . . . 72.42 110.274 -178.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.463 HD13 HD13 ' A' ' 113' ' ' ILE . 82.3 mt -85.4 -42.65 16.38 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-N 114.108 -1.405 . . . . 71.25 109.986 -175.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -118.2 -110.89 2.49 Favored Glycine 0 C--N 1.349 1.265 0 N-CA-C 110.459 -1.056 . . . . 62.55 110.459 174.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -168.78 138.14 2.24 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.473 1.109 . . . . 70.02 109.047 175.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.462 HG13 ' HA2' ' A' ' 100' ' ' GLY . 43.0 t -96.96 128.1 48.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.771 0.829 . . . . 53.31 109.623 173.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.0 mp -89.13 -158.12 0.48 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.144 0.978 . . . . 74.44 109.53 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -54.29 -33.69 59.25 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.709 0.804 . . . . 74.24 110.946 169.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -119.24 136.44 54.21 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.817 1.247 . . . . 72.41 107.847 175.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.462 ' HA2' HG13 ' A' ' 96' ' ' VAL . . . -90.88 -121.55 2.46 Favored Glycine 0 C--N 1.348 1.217 0 CA-C-O 118.53 -1.15 . . . . 61.33 113.499 -172.209 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -64.62 81.39 0.17 Allowed 'Trans proline' 0 C--N 1.385 2.483 0 C-N-CA 123.451 2.767 . . . . 73.11 113.01 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.3 m -148.27 15.05 1.02 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.221 1.408 . . . . 71.33 109.327 176.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -157.57 169.97 23.46 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 124.518 1.127 . . . . 71.3 109.278 -177.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.88 82.97 0.95 Allowed Glycine 0 C--N 1.346 1.106 0 N-CA-C 112.041 -0.423 . . . . 34.45 112.041 177.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 78.9 mt -78.19 -19.35 54.05 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.829 0.851 . . . . 74.4 111.208 -179.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.1 p -141.97 77.14 18.77 Favored Pre-proline 0 CA--C 1.565 1.53 0 C-N-CA 124.545 1.138 . . . . 73.13 108.319 171.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -91.97 128.31 1.0 Allowed 'Trans proline' 0 C--N 1.383 2.356 0 C-N-CA 123.315 2.677 . . . . 34.52 113.029 -176.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.5 mtt180 -135.97 -40.27 0.68 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.81 0.844 . . . . 73.53 110.616 178.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 95.21 -11.42 69.14 Favored Glycine 0 C--N 1.35 1.307 0 CA-C-N 115.696 -0.684 . . . . 64.24 111.435 -170.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 30.0 t -175.35 105.17 0.08 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.536 1.535 . . . . 71.45 107.848 -178.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -164.35 157.64 30.04 Favored Glycine 0 C--N 1.35 1.332 0 CA-C-O 120.144 -0.253 . . . . 72.11 113.06 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -73.69 -48.39 17.5 Favored Glycine 0 C--N 1.352 1.463 0 C-N-CA 122.882 0.277 . . . . 44.31 112.914 -178.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.463 HD13 HD13 ' A' ' 93' ' ' ILE . 66.1 mt -66.69 -44.06 89.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 123.794 0.838 . . . . 73.03 110.309 176.252 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -58.3 -41.25 84.04 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.383 -0.826 . . . . 64.45 110.247 175.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -65.38 -41.63 96.41 Favored Glycine 0 C--N 1.344 1.007 0 CA-C-N 115.601 -0.727 . . . . 53.03 112.409 177.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 25.2 ttm -58.49 -49.56 76.9 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.946 0.898 . . . . 71.42 110.84 177.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 39.9 p -68.1 -45.69 73.0 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.175 -0.92 . . . . 72.25 111.047 -176.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 90.6 m -62.18 -42.11 98.97 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.103 0.561 . . . . 62.14 111.384 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 75.6 mtt-85 -57.64 -56.41 22.32 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 123.831 0.707 . . . . 74.14 110.077 175.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . 0.552 ' HA ' ' HB3' ' A' 1008 ' ' TRP . 63.3 mt -74.44 -24.27 59.05 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 124.077 0.861 . . . . 71.2 112.991 -170.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 38.6 p -77.32 -40.54 43.92 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-N 118.935 0.789 . . . . 64.31 110.058 174.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 23.6 tpt180 -62.83 -34.46 77.37 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-O 121.503 0.668 . . . . 64.3 110.084 172.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1008 ' ' TRP . . . . . 0.552 ' HB3' ' HA ' ' A' 1005 ' ' LEU . 9.4 t-105 -65.27 -52.3 55.21 Favored 'General case' 0 C--O 1.216 -0.66 0 C-N-CA 124.955 1.302 . . . . 75.4 109.671 175.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1009 ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' 1005 ' ' LEU . 92.1 mt -63.87 -33.83 76.58 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.183 0.593 . . . . 73.31 112.32 -176.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 13.8 t -78.57 -29.7 46.37 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 110.583 -0.154 . . . . 70.53 110.583 177.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -70.97 -32.45 69.31 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 122.773 0.429 . . . . 72.45 110.777 172.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1012 ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' 1008 ' ' TRP . 28.1 mt -67.88 -44.12 77.76 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 123.455 0.702 . . . . 64.11 109.142 174.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 21.9 t70 -63.56 -34.92 78.87 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.143 -0.935 . . . . 71.5 110.72 178.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 61.8 t30 -68.82 -44.71 72.93 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.575 0.75 . . . . 74.41 110.286 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 49.2 t80 -62.33 -60.09 4.06 Favored 'General case' 0 C--O 1.214 -0.797 0 O-C-N 123.746 0.654 . . . . 64.25 110.043 176.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -42.2 -57.47 2.51 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.98 1.712 . . . . 71.53 112.265 177.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1017 ' ' ALA . . . . . 0.466 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -62.77 -60.09 3.97 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.275 -0.875 . . . . 41.04 111.554 -177.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 20.4 tptm -67.06 -29.94 69.86 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 112.171 0.434 . . . . 62.1 112.171 -172.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1019 ' ' MET . . . . . 0.535 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.1 OUTLIER -78.1 -28.9 48.75 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 109.903 -0.406 . . . . 73.2 109.903 178.24 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -74.54 -15.38 60.86 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.405 0.282 . . . . 61.04 110.781 168.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1021 ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' 1017 ' ' ALA . 86.2 mt -89.02 -16.47 31.58 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.484 0.714 . . . . 73.03 111.756 171.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1022 ' ' LEU . . . . . 0.535 ' HG ' ' HA ' ' A' 1019 ' ' MET . 85.2 mt -53.67 113.21 4.57 Favored Pre-proline 0 N--CA 1.503 2.22 0 C-N-CA 123.039 0.535 . . . . 73.2 110.831 169.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -92.81 27.15 0.37 Allowed 'Trans proline' 0 C--N 1.376 2.002 0 C-N-CA 123.116 2.544 . . . . 74.34 113.288 -177.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -125.81 -33.4 2.72 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.317 0.647 . . . . 65.42 111.634 -173.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1025 ' ' VAL . . . . . . . . . . . . . 15.3 m . . . . . 0 N--CA 1.481 1.112 0 C-N-CA 124.475 1.11 . . . . 55.2 109.944 179.496 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ttt . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 119.687 -0.197 . . . . 73.32 110.8 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.7 p -55.27 -52.49 63.26 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.357 0.663 . . . . 62.03 112.365 -173.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.7 m -62.33 -41.13 98.32 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 123.407 0.683 . . . . 75.04 111.973 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 95.6 m -59.71 -57.29 13.55 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.051 0.94 . . . . 62.1 110.66 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 75.5 t -59.58 -52.42 61.18 Favored 'Isoleucine or valine' 0 C--N 1.348 0.512 0 CA-C-N 115.287 -0.87 . . . . 44.41 110.851 -176.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -64.35 -39.95 94.91 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 119.207 -0.425 . . . . 75.34 111.073 -174.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -61.54 -51.91 66.62 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.43 0.692 . . . . 74.12 111.116 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 95.1 mt -67.44 -33.28 61.46 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 CA-C-N 115.047 -0.979 . . . . 74.52 111.076 -177.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.99 -24.83 37.72 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.508 0.723 . . . . 75.32 111.747 -179.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.478 ' O ' HG13 ' A' ' 14' ' ' ILE . 80.4 mtt180 -72.73 -44.86 61.13 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 108.797 -0.816 . . . . 55.12 108.797 172.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 37.3 m95 -60.46 -40.7 92.15 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 123.575 0.547 . . . . 64.01 111.194 173.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -65.16 -40.2 94.0 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.576 0.75 . . . . 63.13 110.311 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -62.01 -45.71 92.41 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 123.96 0.788 . . . . 75.34 110.272 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 10' ' ' ARG . 67.5 mt -63.75 -45.6 96.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 124.018 0.824 . . . . 72.04 110.874 178.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.57 -50.45 72.58 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.571 0.748 . . . . 73.31 111.59 -176.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.45 -41.94 96.24 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 123.992 0.808 . . . . 73.52 110.64 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.5 mt -62.74 -39.44 94.09 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.005 0.522 . . . . 73.14 110.874 175.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.9 t -69.58 -43.84 72.02 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.364 0.665 . . . . 70.21 110.786 -173.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -72.32 -34.48 68.11 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 123.405 0.44 . . . . 75.24 111.397 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.42 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 72.4 m -63.6 -52.56 60.37 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 122.576 0.35 . . . . 74.43 110.363 174.324 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.62 HD13 ' HH2' ' A' 1008 ' ' TRP . 80.4 mt -63.15 -28.76 70.28 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.155 0.982 . . . . 70.41 110.876 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.539 HD22 ' HA ' ' A' ' 74' ' ' ASN . 32.2 tp -66.47 -50.12 64.36 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 123.386 0.429 . . . . 74.22 110.345 175.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -52.49 -45.89 66.38 Favored 'General case' 0 N--CA 1.485 1.325 0 O-C-N 124.078 0.861 . . . . 71.41 110.047 176.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.572 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 82.1 mt -69.54 -35.0 75.02 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 113.847 -1.524 . . . . 74.22 112.087 -177.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.519 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -68.32 -38.73 81.85 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 122.88 0.472 . . . . 72.23 110.467 178.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -65.66 -38.82 90.39 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 115.28 -0.873 . . . . 74.31 110.202 175.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -76.04 -20.75 57.52 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.514 0.726 . . . . 74.35 112.282 177.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.49 23.59 53.39 Favored Glycine 0 C--N 1.339 0.736 0 CA-C-N 116.808 -0.178 . . . . 63.04 113.34 -178.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.572 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 23.1 mm-40 -76.47 75.54 3.21 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.501 1.12 . . . . 64.01 110.448 175.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 20.1 m95 -72.05 -35.19 69.25 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.06 0.544 . . . . 73.21 111.612 -173.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -63.81 -36.74 84.9 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.562 0.745 . . . . 50.35 110.666 -179.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.0 mt -72.32 -37.47 68.92 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 123.233 0.613 . . . . 72.4 110.691 178.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.453 ' HA ' HD22 ' A' ' 21' ' ' LEU . 9.4 mp -61.04 -43.36 99.0 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 122.753 0.421 . . . . 74.22 110.815 172.341 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.6 mt -73.95 -27.55 61.06 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.051 0.94 . . . . 64.11 111.883 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -74.92 -49.32 20.62 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.697 0.799 . . . . 65.11 110.294 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.489 ' HB2' HD21 ' A' ' 21' ' ' LEU . 10.6 mt-30 -85.75 -9.96 56.29 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.044 0.938 . . . . 74.42 111.61 -176.345 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.446 ' HG3' ' HE3' ' A' 1008 ' ' TRP . 40.9 tt0 -44.44 -52.71 7.58 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.347 1.459 . . . . 71.35 112.446 173.048 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.9 p -53.4 -46.95 59.0 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 O-C-N 124.177 0.923 . . . . 63.44 111.32 178.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.3 m -68.77 -38.99 80.44 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.137 0.975 . . . . 73.34 111.985 -175.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -73.04 -49.73 27.07 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.485 0.714 . . . . 62.23 110.61 -174.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.0 mt -64.99 -37.93 89.29 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 123.906 0.754 . . . . 62.3 110.729 179.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -61.82 -45.7 92.72 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.282 0.633 . . . . 74.11 111.024 176.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.459 ' HA ' HG22 ' A' ' 46' ' ' THR . 8.9 t -66.03 -37.21 85.29 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 123.06 0.544 . . . . 74.0 110.735 -178.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 17.6 mt -59.64 -56.95 13.91 Favored 'Isoleucine or valine' 0 C--O 1.251 1.15 0 C-N-CA 124.659 1.183 . . . . 54.3 111.119 175.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -68.74 -29.94 68.45 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.739 -0.664 . . . . 72.5 111.002 -174.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.459 HG22 ' HA ' ' A' ' 43' ' ' SER . 6.7 t -79.28 -30.12 42.84 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 111.931 0.345 . . . . 71.55 111.931 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 p -75.83 -35.6 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-N 118.979 0.809 . . . . 62.54 110.014 176.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 41.9 ttm -73.58 -26.11 60.67 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 109.547 -0.538 . . . . 54.32 109.547 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -66.86 -37.57 84.69 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.229 1.012 . . . . 74.12 110.632 167.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.408 ' HB2' ' NH1' ' A' ' 10' ' ' ARG . 14.5 tppt? -79.8 91.42 5.33 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 121.453 0.644 . . . . 70.51 109.906 -174.063 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -81.51 131.66 35.29 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-N 114.531 -1.213 . . . . 74.35 109.14 174.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.9 p -110.16 151.82 42.78 Favored Pre-proline 0 C--O 1.241 0.615 0 C-N-CA 123.806 0.842 . . . . 72.21 109.29 174.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -53.92 154.2 17.96 Favored 'Trans proline' 0 C--N 1.378 2.12 0 C-N-CA 122.775 2.316 . . . . 73.04 113.024 176.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -51.52 -46.43 31.73 Favored 'Trans proline' 0 C--N 1.388 2.631 0 C-N-CA 124.024 3.149 . . . . 71.53 113.189 -175.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -72.51 85.9 0.52 Allowed Glycine 0 C--N 1.342 0.878 0 CA-C-N 114.911 -1.041 . . . . 75.44 112.847 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.461 HG22 ' HB2' ' A' ' 61' ' ' GLN . 9.6 mm -93.79 118.32 39.39 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 N-CA-C 108.933 -0.765 . . . . 72.24 108.933 172.134 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.6 t -73.56 173.79 9.2 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 123.965 0.906 . . . . 52.04 111.907 -175.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -53.75 -55.5 25.74 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.17 1.388 . . . . 73.22 112.863 -170.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.9 m -65.45 -44.15 88.15 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.236 0.614 . . . . 51.33 111.835 -173.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 65.7 mt -60.82 -51.16 76.39 Favored 'Isoleucine or valine' 0 C--N 1.358 0.938 0 N-CA-C 109.304 -0.628 . . . . 61.02 109.304 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.461 ' HB2' HG22 ' A' ' 56' ' ' ILE . 23.9 tm0? -57.54 -45.09 85.51 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 123.945 0.778 . . . . 54.43 110.744 -178.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -62.9 -54.56 36.78 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.86 0.864 . . . . 64.41 111.264 -176.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 78.3 mtm -62.03 -49.53 75.64 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 123.784 0.677 . . . . 73.11 110.787 -178.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.2 t -58.36 -44.69 88.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 123.858 0.863 . . . . 75.21 111.079 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.94 -30.9 71.55 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.451 0.701 . . . . 74.0 111.281 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.69 -47.27 85.33 Favored Glycine 0 C--N 1.35 1.317 0 N-CA-C 111.42 -0.672 . . . . 64.34 111.42 173.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -67.96 -33.48 74.73 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.61 0.764 . . . . 63.42 111.356 179.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.472 HG23 ' HE1' ' A' 1019 ' ' MET . 18.0 mt -65.57 -48.0 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 124.695 1.198 . . . . 63.4 109.654 177.206 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -63.06 -41.99 99.58 Favored 'General case' 0 C--O 1.246 0.911 0 C-N-CA 123.541 0.736 . . . . 74.03 110.19 -179.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -59.81 -58.71 7.41 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 115.213 -0.903 . . . . 72.31 110.195 176.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.1 t -65.95 -33.78 76.6 Favored 'General case' 0 C--O 1.206 -1.2 0 CA-C-O 119.002 -0.523 . . . . 75.45 111.894 -173.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.558 HD21 ' SD ' ' A' 1019 ' ' MET . 56.4 mt -67.84 -40.78 83.66 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 118.466 0.575 . . . . 74.1 111.386 177.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.422 ' O ' ' HB3' ' A' ' 76' ' ' GLN . 27.9 t70 -73.78 -47.24 40.33 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-O 121.578 0.704 . . . . 63.45 111.442 -179.257 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.539 ' HA ' HD22 ' A' ' 22' ' ' LEU . 15.0 m120 -69.41 -38.27 77.86 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.259 -0.882 . . . . 61.21 110.644 -176.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.674 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 34.9 tt0 -75.18 -32.24 61.2 Favored 'General case' 0 C--O 1.209 -1.072 0 O-C-N 123.439 0.462 . . . . 71.13 110.676 175.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.422 ' HB3' ' O ' ' A' ' 73' ' ' ASP . 19.1 tt0 -52.22 -49.25 64.33 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 121.516 0.674 . . . . 70.55 109.713 170.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.4 mt -71.93 -31.65 66.55 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 114.745 -1.116 . . . . 74.33 111.711 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.674 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 11.0 mt -62.42 -65.53 0.68 Allowed 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 123.042 0.537 . . . . 71.24 111.093 175.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 19.7 pttp -70.2 -23.39 62.95 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.194 0.598 . . . . 75.12 112.038 -175.56 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.92 -50.66 45.46 Favored Glycine 0 C--N 1.348 1.198 0 N-CA-C 112.344 -0.302 . . . . 72.31 112.344 170.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.519 HD22 ' HB1' ' A' ' 25' ' ' ALA . 8.6 tt -65.82 -40.32 91.71 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.879 0.872 . . . . 61.45 110.993 179.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.456 HD13 ' HE1' ' A' 1008 ' ' TRP . 37.7 mt -79.72 -30.45 40.94 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.768 0.827 . . . . 74.41 111.961 -173.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -69.62 -43.63 72.31 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 108.726 -0.842 . . . . 71.22 108.726 170.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.405 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 59.8 tp60 -59.24 -40.17 85.07 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 123.843 0.715 . . . . 65.44 109.89 174.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.578 ' HA ' ' HE ' ' A' ' 85' ' ' ARG . 0.1 OUTLIER -64.74 -56.78 11.5 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 123.623 0.769 . . . . 75.11 110.335 -177.095 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.528 HD11 ' HB3' ' A' 1005 ' ' LEU . 86.3 mt -69.61 -21.81 63.55 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 123.621 0.576 . . . . 65.22 112.114 -176.269 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -76.6 -43.39 38.76 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.111 0.564 . . . . 73.53 110.104 175.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.513 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 14.1 mm-40 -61.19 -48.56 80.98 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.153 0.581 . . . . 74.1 109.686 173.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 89.5 mt -59.08 -43.89 91.84 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 124.407 1.083 . . . . 72.14 110.979 178.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.1 t -61.84 -37.13 83.35 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.026 0.53 . . . . 63.43 110.752 177.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.3 t -73.78 -24.85 59.9 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 123.531 0.733 . . . . 61.01 111.408 176.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 52.0 mt -76.14 -33.22 59.39 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.158 0.583 . . . . 72.12 109.853 173.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 72.4 mt -87.82 -15.64 9.34 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 C-N-CA 124.725 1.21 . . . . 64.12 110.12 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.99 -106.88 0.01 OUTLIER Glycine 0 C--N 1.351 1.41 0 C-N-CA 124.093 0.854 . . . . 72.34 114.476 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 68.56 -68.0 0.19 Allowed 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 125.419 1.488 . . . . 65.13 110.285 -174.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.6 p -60.48 -36.06 67.16 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.211 0 C-N-CA 123.536 0.734 . . . . 73.41 109.796 166.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 60.7 tp -92.69 100.36 12.88 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 107.991 -1.115 . . . . 71.04 107.991 159.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -62.53 -59.06 5.47 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.664 0.786 . . . . 63.31 110.411 175.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.7 pm0 -172.36 155.23 3.45 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.708 1.203 . . . . 74.02 109.498 169.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 150.09 161.99 10.23 Favored Glycine 0 N--CA 1.468 0.767 0 CA-C-O 118.448 -1.196 . . . . 73.33 111.223 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -59.48 89.16 0.07 OUTLIER 'Trans proline' 0 C--N 1.376 2.013 0 C-N-CA 123.292 2.661 . . . . 61.31 113.067 -178.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.2 t -168.66 46.26 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 124.311 1.044 . . . . 73.12 108.877 -178.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.03 87.78 1.37 Allowed 'General case' 0 N--CA 1.478 0.968 0 CA-C-O 121.689 0.757 . . . . 73.34 111.286 -178.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 171.72 -76.37 0.1 OUTLIER Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 114.873 -1.058 . . . . 53.31 110.696 177.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.9 mt 69.72 -59.03 0.51 Allowed 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 125.914 1.686 . . . . 72.42 111.678 -175.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.405 HG12 ' HA ' ' A' ' 114' ' ' GLU . 21.6 t -63.16 112.33 6.7 Favored Pre-proline 0 CA--C 1.563 1.463 0 C-N-CA 124.705 1.202 . . . . 73.11 111.407 -176.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -89.56 -169.14 0.35 Allowed 'Trans proline' 0 C--N 1.378 2.094 0 C-N-CA 123.615 2.877 . . . . 72.12 113.674 -175.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.49 ' HA ' HG21 ' A' 1003 ' ' THR . 99.8 mtt180 -71.6 102.55 2.77 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 123.821 0.848 . . . . 73.35 110.794 -179.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -147.14 -169.59 14.75 Favored Glycine 0 C--N 1.337 0.628 0 N-CA-C 112.103 -0.399 . . . . 75.14 112.103 177.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 45.4 m -127.64 88.15 2.74 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.575 0.75 . . . . 61.15 109.58 -179.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -156.83 27.66 0.52 Allowed Glycine 0 C--N 1.344 1.011 0 CA-C-N 115.363 -0.835 . . . . 73.12 111.699 176.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 80.78 -70.56 3.02 Favored Glycine 0 C--N 1.357 1.697 0 C-N-CA 123.143 0.402 . . . . 73.13 113.156 178.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 16.3 tt -58.66 -32.12 45.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 124.819 1.247 . . . . 73.22 112.043 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.405 ' HA ' HG12 ' A' ' 106' ' ' VAL . 35.8 mt-10 -68.62 -44.26 74.62 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.81 0.844 . . . . 73.14 110.578 -177.075 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -72.46 -31.1 63.57 Favored Glycine 0 C--N 1.34 0.769 0 CA-C-N 115.244 -0.889 . . . . 74.23 112.026 178.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 47.1 ttp -63.52 -50.74 68.41 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 123.597 0.759 . . . . 64.4 110.048 176.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 25.2 p -65.73 -48.46 71.86 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 123.457 0.473 . . . . 52.44 111.076 -178.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1003 ' ' THR . . . . . 0.49 HG21 ' HA ' ' A' ' 108' ' ' ARG . 39.1 p -63.15 -45.19 93.04 Favored 'General case' 0 C--O 1.248 0.982 0 O-C-N 123.426 0.454 . . . . 73.54 112.053 -176.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -66.21 -44.07 84.94 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-O 118.949 -0.548 . . . . 74.03 110.809 178.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . 0.528 ' HB3' HD11 ' A' ' 86' ' ' LEU . 35.7 mt -70.51 -29.24 65.7 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 118.902 -0.57 . . . . 72.13 112.504 -178.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 41.2 p -73.28 -44.44 59.19 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 118.991 0.814 . . . . 61.44 110.446 176.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -57.48 -40.57 78.86 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.43 0.692 . . . . 63.3 110.364 171.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1008 ' ' TRP . . . . . 0.62 ' HH2' HD13 ' A' ' 21' ' ' LEU . 3.4 t-105 -61.49 -49.07 78.22 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 125.069 1.348 . . . . 74.3 110.142 177.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1009 ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' 1005 ' ' LEU . 63.6 mt -64.9 -40.76 95.59 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.045 0.538 . . . . 74.02 111.734 -176.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 14.7 t -72.04 -28.8 63.59 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 119.524 -0.274 . . . . 60.3 110.551 178.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -75.21 -30.01 60.47 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.195 0.598 . . . . 70.44 111.351 175.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1012 ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' 1008 ' ' TRP . 16.6 mt -72.42 -49.8 30.97 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 121.272 0.558 . . . . 72.42 110.066 177.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 19.6 t70 -62.16 -36.96 83.42 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 115.198 -0.91 . . . . 75.43 110.113 177.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 8.2 t30 -60.9 -46.17 91.71 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.065 0.946 . . . . 72.13 110.768 172.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 34.6 t80 -59.28 -61.22 2.79 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-O 119.151 -0.452 . . . . 71.14 109.896 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.05 -48.65 52.8 Favored 'General case' 0 C--O 1.248 1.02 0 C-N-CA 124.797 1.239 . . . . 73.2 112.039 -177.166 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1017 ' ' ALA . . . . . 0.4 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -61.4 -60.29 3.96 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 115.278 -0.874 . . . . 53.32 111.811 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -67.43 -29.42 68.89 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.576 0.75 . . . . 60.44 111.369 -173.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1019 ' ' MET . . . . . 0.608 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.4 OUTLIER -80.85 -26.67 36.82 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 120.484 0.183 . . . . 74.33 110.657 -178.902 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -68.68 -32.96 73.16 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 110.043 -0.355 . . . . 60.41 110.043 166.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1021 ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' 1017 ' ' ALA . 91.0 mt -80.73 -12.35 59.48 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.553 0.741 . . . . 74.12 112.826 178.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1022 ' ' LEU . . . . . 0.608 ' HG ' ' HA ' ' A' 1019 ' ' MET . 57.6 mt -50.58 120.04 12.19 Favored Pre-proline 0 N--CA 1.494 1.764 0 C-N-CA 122.833 0.453 . . . . 63.34 111.553 169.369 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -83.58 -7.89 10.54 Favored 'Trans proline' 0 C--N 1.374 1.898 0 C-N-CA 122.762 2.308 . . . . 62.33 112.616 177.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -77.92 -30.26 50.47 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.799 0.84 . . . . 65.53 111.392 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1025 ' ' VAL . . . . . . . . . . . . . 1.5 m . . . . . 0 CA--C 1.559 1.3 0 C-N-CA 124.493 1.117 . . . . 64.42 109.298 -176.889 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ttt . . . . . 0 N--CA 1.488 1.463 0 N-CA-C 111.429 0.159 . . . . 75.54 111.429 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.5 m -56.64 -39.47 73.74 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.169 0.587 . . . . 74.14 111.536 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.8 m -63.02 -44.09 96.94 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.835 0.854 . . . . 53.14 110.938 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 87.2 m -55.32 -57.95 9.72 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.584 1.154 . . . . 64.0 110.839 176.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.9 t -60.64 -44.42 96.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 115.116 -0.947 . . . . 74.44 110.237 -175.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -56.32 -53.11 61.19 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.217 1.007 . . . . 73.42 110.725 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.497 ' HA ' HH21 ' A' ' 10' ' ' ARG . 10.7 t80 -64.88 -52.9 54.03 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 114.663 -1.153 . . . . 72.43 110.894 -171.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.456 HD11 HG12 ' A' ' 60' ' ' ILE . 82.4 mt -62.18 -45.75 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 O-C-N 124.139 0.899 . . . . 74.04 111.237 -177.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -65.58 -42.02 92.2 Favored 'General case' 0 N--CA 1.484 1.24 0 O-C-N 123.649 0.593 . . . . 64.14 111.251 -176.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.854 HH12 ' HB2' ' A' ' 50' ' ' LYS . 87.7 mtm180 -62.16 -54.35 42.37 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 123.41 0.444 . . . . 64.34 110.442 177.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 77.4 m95 -61.12 -33.03 72.74 Favored 'General case' 0 N--CA 1.483 1.177 0 O-C-N 123.705 0.628 . . . . 75.24 112.134 -178.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -65.08 -47.06 78.62 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.171 0.588 . . . . 74.31 109.71 177.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -60.39 -46.9 88.33 Favored 'General case' 0 C--N 1.355 0.821 0 O-C-N 123.886 0.741 . . . . 72.15 110.725 177.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 10' ' ' ARG . 79.9 mt -63.59 -38.91 83.5 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 123.761 0.824 . . . . 62.5 110.983 -176.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.17 -45.69 76.22 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.337 0.655 . . . . 63.41 111.14 178.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.1 mt -71.09 -32.84 69.57 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.0 0.52 . . . . 63.53 111.132 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 40' ' ' TYR . 40.7 mt -66.64 -54.26 25.22 Favored 'General case' 0 C--O 1.213 -0.841 0 C-N-CA 123.282 0.633 . . . . 75.43 109.347 177.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.4 p -62.68 -35.51 79.92 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.489 0.716 . . . . 55.32 110.969 -177.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.402 ' HA ' ' OD1' ' A' ' 74' ' ' ASN . 31.6 tt0 -56.59 -63.09 1.31 Allowed 'General case' 0 C--O 1.249 1.032 0 C-N-CA 124.203 1.001 . . . . 64.12 110.982 173.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.481 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 57.3 m -52.83 -54.63 31.61 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 124.634 1.209 . . . . 73.22 110.456 179.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.599 HD21 ' HB2' ' A' ' 36' ' ' GLN . 82.1 mt -58.47 -36.19 73.34 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.831 1.252 . . . . 60.23 111.864 -177.287 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.579 HD22 ' HA ' ' A' ' 74' ' ' ASN . 43.6 tp -65.24 -49.46 69.56 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 109.98 -0.378 . . . . 51.32 109.98 177.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -59.86 -34.65 73.4 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 123.927 0.767 . . . . 75.33 110.447 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.526 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 92.4 mt -74.59 -32.03 62.23 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.971 0.908 . . . . 73.4 111.096 178.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.491 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -69.81 -38.13 76.49 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.098 0.559 . . . . 73.53 110.082 177.238 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -67.6 -36.97 81.86 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.236 -0.893 . . . . 71.05 110.411 174.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.1 mtp85 -74.08 -25.24 59.7 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.422 0.689 . . . . 72.44 112.066 177.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.13 24.13 52.95 Favored Glycine 0 C--N 1.339 0.731 0 O-C-N 123.215 0.322 . . . . 72.32 113.218 -175.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.526 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 52.5 mm-40 -77.56 68.08 3.59 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.683 0.793 . . . . 75.31 110.235 172.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.404 ' HE3' HD12 ' A' ' 33' ' ' LEU . 32.5 m95 -66.09 -30.37 70.86 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.154 0.582 . . . . 61.44 110.827 -173.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -69.25 -41.97 76.21 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.763 0.825 . . . . 70.32 110.678 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 71.8 mt -67.94 -32.35 72.72 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 122.896 0.478 . . . . 73.24 110.866 176.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.404 HD12 ' HE3' ' A' ' 30' ' ' TRP . 65.9 mt -62.81 -47.43 83.47 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.528 0.518 . . . . 73.04 110.21 173.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.9 mt -64.64 -38.17 90.1 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 124.149 0.906 . . . . 54.31 111.762 179.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -62.32 -56.18 20.9 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 121.808 0.813 . . . . 71.51 110.02 -179.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.599 ' HB2' HD21 ' A' ' 21' ' ' LEU . 14.1 mt-30 -83.46 -10.23 58.5 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 114.238 -1.346 . . . . 72.14 112.047 -174.135 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.27 -53.03 11.48 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.957 1.303 . . . . 62.22 111.022 174.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.5 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 72.0 t -52.34 -61.55 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.883 0 O-C-N 124.533 1.146 . . . . 64.52 109.627 178.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.8 m -50.45 -43.49 55.23 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 124.728 1.267 . . . . 75.45 112.01 -176.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.412 ' HA ' HD13 ' A' ' 17' ' ' LEU . 35.5 t80 -68.82 -47.32 66.35 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 123.947 0.779 . . . . 71.42 110.854 -175.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.574 HD11 ' HA ' ' A' 1008 ' ' TRP . 76.9 mt -71.93 -29.12 63.96 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 123.402 0.439 . . . . 43.12 111.983 -176.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 18.0 mm100 -76.63 -34.88 58.31 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 122.944 0.498 . . . . 63.44 110.069 177.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.6 m -64.81 -43.66 92.43 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.0 0.52 . . . . 61.21 110.354 173.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 25.6 mt -55.69 -49.8 71.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.695 1.198 . . . . 51.31 110.596 174.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -59.86 -55.76 30.17 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.107 -0.951 . . . . 64.02 110.377 -178.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.2 t -64.13 -31.08 72.15 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 123.857 0.723 . . . . 73.31 111.648 -173.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.521 ' HA ' ' NH1' ' A' ' 10' ' ' ARG . 1.9 p -75.72 -38.85 38.3 Favored 'Isoleucine or valine' 0 C--N 1.363 1.174 0 N-CA-C 110.473 -0.195 . . . . 72.11 110.473 179.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 42.1 ttm -79.29 -12.45 59.94 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.148 0.579 . . . . 54.45 110.827 -177.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -78.0 -34.87 50.57 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 112.048 0.388 . . . . 72.4 112.048 171.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.854 ' HB2' HH12 ' A' ' 10' ' ' ARG . 0.1 OUTLIER -121.44 99.98 6.77 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 109.911 -0.403 . . . . 64.31 109.911 -175.135 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -98.9 140.21 33.41 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.954 0.902 . . . . 74.05 109.226 -178.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.4 p -81.05 150.39 68.43 Favored Pre-proline 0 N--CA 1.48 1.072 0 CA-C-O 118.97 -0.538 . . . . 52.02 109.707 169.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -56.25 156.99 18.96 Favored 'Trans proline' 0 C--N 1.382 2.317 0 C-N-CA 123.212 2.608 . . . . 73.14 113.448 178.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -51.2 -45.75 35.13 Favored 'Trans proline' 0 C--N 1.389 2.659 0 C-N-CA 124.126 3.217 . . . . 71.11 113.226 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.42 71.34 1.81 Allowed Glycine 0 C--N 1.345 1.071 0 O-C-N 123.598 0.561 . . . . 74.12 112.404 175.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.447 HG23 ' HB2' ' A' ' 61' ' ' GLN . 8.3 tp -98.1 135.98 30.71 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 C-N-CA 124.166 0.987 . . . . 73.5 108.539 179.082 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.0 t -62.65 152.97 33.77 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 122.764 0.426 . . . . 64.12 111.855 -173.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -31.49 66.85 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.771 0.829 . . . . 74.13 112.375 -170.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.9 m -67.17 -57.78 6.09 Favored 'General case' 0 C--O 1.256 1.423 0 C-N-CA 123.45 0.7 . . . . 64.51 110.442 -177.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.456 HG12 HD11 ' A' ' 8' ' ' ILE . 65.7 mt -62.43 -47.45 92.96 Favored 'Isoleucine or valine' 0 C--N 1.36 1.03 0 CA-C-N 115.046 -0.979 . . . . 74.12 109.721 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.447 ' HB2' HG23 ' A' ' 56' ' ' ILE . 57.7 tt0 -59.08 -43.25 91.77 Favored 'General case' 0 C--O 1.216 -0.694 0 O-C-N 123.916 0.76 . . . . 74.31 111.281 -178.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -65.24 -52.09 56.77 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 123.396 0.435 . . . . 72.53 110.618 -177.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 58.8 mtm -61.74 -48.76 79.27 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.697 0.623 . . . . 61.1 110.804 -178.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.409 HG11 ' CE1' ' A' ' 7' ' ' PHE . 18.6 t -64.09 -41.03 91.18 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.823 0 C-N-CA 124.044 0.938 . . . . 73.11 111.441 -178.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.443 ' HA ' ' HB ' ' A' ' 68' ' ' ILE . . . -69.31 -29.33 67.15 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 122.843 0.457 . . . . 43.32 110.658 179.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.72 -41.15 93.93 Favored Glycine 0 C--N 1.347 1.17 0 N-CA-C 111.272 -0.731 . . . . 71.01 111.272 170.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -67.93 -33.8 75.37 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.793 0.837 . . . . 71.33 110.796 175.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.481 HG23 ' HE1' ' A' 1019 ' ' MET . 20.0 mt -68.7 -47.82 74.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 125.127 1.371 . . . . 62.21 109.714 -179.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -69.81 -37.73 76.37 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 123.683 0.614 . . . . 62.22 110.049 -178.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -60.43 -53.41 57.92 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 123.98 0.8 . . . . 61.24 110.061 175.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.434 ' OG1' HG22 ' A' ' 14' ' ' ILE . 5.9 t -71.66 -35.1 70.24 Favored 'General case' 0 C--O 1.203 -1.367 0 CA-C-O 118.926 -0.559 . . . . 63.0 111.412 -173.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 72' ' ' LEU . 19.4 mt -67.86 -40.6 83.6 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 118.272 0.487 . . . . 73.13 110.924 178.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -64.92 -55.33 19.92 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.797 0.685 . . . . 71.24 110.081 177.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.579 ' HA ' HD22 ' A' ' 22' ' ' LEU . 0.8 OUTLIER -69.96 -31.4 69.11 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 114.864 -1.062 . . . . 64.1 111.48 -171.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -79.6 -37.88 35.24 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 123.47 0.481 . . . . 74.12 111.286 178.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -63.51 -35.85 81.84 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 109.417 -0.586 . . . . 73.12 109.417 175.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.6 mt -68.34 -40.94 81.39 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.418 0.687 . . . . 55.1 110.807 173.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.8 mt -58.06 -43.89 87.16 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.208 0.603 . . . . 61.33 110.85 171.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 83' ' ' GLN . 8.3 tmtt? -67.53 -46.3 73.23 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.252 1.021 . . . . 61.21 109.048 -172.393 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -72.88 -41.17 50.11 Favored Glycine 0 C--N 1.343 0.927 0 O-C-N 124.066 0.854 . . . . 55.11 113.112 -177.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.491 HD22 ' HB1' ' A' ' 25' ' ' ALA . 10.0 tt -64.02 -48.68 75.38 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.604 0.761 . . . . 71.22 109.711 179.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.467 ' HB2' HD21 ' A' 1009 ' ' LEU . 39.1 mt -77.07 -23.2 51.98 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.644 0.778 . . . . 65.53 111.813 -176.018 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 0.5 OUTLIER -65.91 -53.61 37.23 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 107.503 -1.295 . . . . 71.43 107.503 170.162 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.27 -37.02 76.6 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 124.648 1.218 . . . . 52.52 109.933 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -69.43 -55.51 10.09 Favored 'General case' 0 C--N 1.346 0.421 0 C-N-CA 123.961 0.904 . . . . 74.51 110.806 -176.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.535 HD11 ' HB3' ' A' 1005 ' ' LEU . 96.0 mt -66.17 -36.86 84.22 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.904 0.482 . . . . 71.5 111.043 -177.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -64.79 -45.03 88.01 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 124.338 1.024 . . . . 63.43 110.423 177.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.525 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 32.6 tt0 -63.06 -53.75 48.8 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 123.744 0.652 . . . . 71.12 110.036 178.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 92.6 mt -50.15 -52.92 31.29 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.476 1.11 . . . . 72.1 110.66 178.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 78.2 p -67.66 -26.11 66.04 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.283 0.633 . . . . 73.42 111.336 -178.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 45.0 t -72.99 -34.8 66.65 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.058 0.543 . . . . 74.13 110.711 174.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 35.7 mt -74.58 -45.65 43.89 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 122.971 0.509 . . . . 75.24 109.899 -178.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 42.7 mt -75.65 -38.48 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.352 1.061 . . . . 73.01 110.464 -176.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 101.62 31.87 5.33 Favored Glycine 0 C--N 1.348 1.203 0 CA-C-N 116.112 -0.495 . . . . 53.04 112.629 -177.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.639 ' HB3' ' HA ' ' A' ' 106' ' ' VAL . 93.5 mt-30 -92.01 -12.84 32.13 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.027 1.331 . . . . 62.23 112.087 177.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.8 m -66.82 141.56 17.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 122.977 0.511 . . . . 74.31 110.306 171.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -109.81 170.88 7.78 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.033 0.533 . . . . 73.12 109.598 172.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -80.15 -8.78 59.58 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.951 0.9 . . . . 71.4 111.824 -170.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -127.28 141.35 51.74 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.173 0.989 . . . . 63.42 109.068 176.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.15 129.44 4.79 Favored Glycine 0 CA--C 1.534 1.26 0 CA-C-O 119.163 -0.798 . . . . 31.34 112.941 176.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -73.51 -31.76 8.56 Favored 'Trans proline' 0 C--N 1.379 2.154 0 C-N-CA 122.594 2.196 . . . . 64.15 111.303 174.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.531 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 31.6 p -148.68 -76.07 0.17 Allowed 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 107.568 -1.271 . . . . 73.01 107.568 171.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 52.28 -83.09 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 124.657 1.183 . . . . 73.44 112.28 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -153.17 43.27 0.63 Allowed Glycine 0 C--N 1.347 1.139 0 N-CA-C 111.667 -0.573 . . . . 54.23 111.667 178.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 102' ' ' SER . 62.2 mt -69.98 174.78 4.96 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.167 0.587 . . . . 64.51 110.382 174.309 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.639 ' HA ' ' HB3' ' A' ' 95' ' ' GLN . 57.8 t 70.5 98.52 0.04 OUTLIER Pre-proline 0 N--CA 1.478 0.949 0 C-N-CA 124.764 1.226 . . . . 73.34 109.857 -173.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -62.12 113.47 1.9 Allowed 'Trans proline' 0 C--N 1.38 2.192 0 C-N-CA 122.814 2.342 . . . . 72.11 110.566 172.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -71.23 114.67 9.53 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.219 0.608 . . . . 73.53 111.378 -174.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -81.38 -98.9 0.4 Allowed Glycine 0 C--N 1.349 1.3 0 O-C-N 123.767 0.667 . . . . 55.42 111.843 176.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.9 p -161.17 91.87 0.88 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.018 0.527 . . . . 73.43 110.967 -177.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 71.68 -177.09 38.18 Favored Glycine 0 C--N 1.35 1.312 0 CA-C-N 115.812 -0.631 . . . . 60.21 113.982 176.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 64.9 -114.2 6.56 Favored Glycine 0 C--N 1.348 1.207 0 C-N-CA 123.143 0.401 . . . . 51.02 112.568 179.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 10.5 tt -62.76 -34.09 63.71 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 C-N-CA 123.514 0.726 . . . . 45.52 111.378 175.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.13 -48.97 79.48 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 123.344 0.658 . . . . 64.13 109.349 175.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -61.03 -44.47 98.15 Favored Glycine 0 C--N 1.351 1.37 0 O-C-N 124.307 1.004 . . . . 73.2 112.179 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 54.2 ttp -55.47 -53.68 53.29 Favored 'General case' 0 C--N 1.352 0.674 0 C-N-CA 123.943 0.897 . . . . 75.24 110.955 178.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 29.0 p -67.61 -48.31 67.15 Favored 'General case' 0 C--N 1.345 0.398 0 O-C-N 123.772 0.67 . . . . 74.32 111.657 -173.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 14.5 t -64.02 -40.23 95.87 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 123.156 0.285 . . . . 75.25 111.426 -177.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -69.94 -39.26 76.17 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 123.255 0.347 . . . . 64.41 110.728 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . 0.589 ' HA ' ' HB3' ' A' 1008 ' ' TRP . 39.4 mt -77.16 -22.78 51.97 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 118.684 -0.674 . . . . 71.45 112.664 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 27.8 p -78.92 -42.51 26.92 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-N 119.273 0.942 . . . . 74.04 109.834 175.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -57.36 -40.05 77.28 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 115.816 -0.629 . . . . 61.34 110.276 169.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1008 ' ' TRP . . . . . 0.589 ' HB3' ' HA ' ' A' 1005 ' ' LEU . 1.2 t-105 -61.16 -53.52 55.95 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 114.712 -1.131 . . . . 73.3 110.799 175.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1009 ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' 1005 ' ' LEU . 88.4 mt -62.29 -39.14 92.01 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.259 0.624 . . . . 75.53 111.469 -175.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 13.0 t -74.14 -30.05 62.1 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 122.888 0.117 . . . . 64.4 110.943 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -74.45 -29.41 61.46 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 122.83 0.452 . . . . 72.42 110.808 175.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1012 ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' 1008 ' ' TRP . 21.4 mt -69.1 -48.34 62.85 Favored 'General case' 0 C--N 1.359 0.986 0 N-CA-C 109.073 -0.714 . . . . 75.54 109.073 174.168 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 33.3 t70 -58.4 -40.7 83.14 Favored 'General case' 0 C--O 1.246 0.892 0 CA-C-N 114.561 -1.2 . . . . 74.33 110.148 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 8.0 t30 -62.7 -48.63 78.42 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.578 1.151 . . . . 74.43 110.823 176.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 67.2 t80 -60.28 -59.48 5.33 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 123.287 0.635 . . . . 64.31 110.235 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -46.63 -56.8 5.53 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.459 1.503 . . . . 74.24 110.737 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -61.29 -53.82 51.86 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 124.027 0.829 . . . . 53.2 111.85 -175.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -71.84 -25.06 61.82 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.274 0.629 . . . . 61.3 111.911 -173.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1019 ' ' MET . . . . . 0.597 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.6 OUTLIER -88.43 -19.3 26.72 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 110.501 -0.185 . . . . 74.45 110.501 179.133 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -75.49 -25.02 56.96 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 109.339 -0.615 . . . . 71.04 109.339 165.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 92.8 mt -75.08 -31.04 61.11 Favored 'General case' 0 C--N 1.358 0.971 0 CA-C-O 118.377 -0.82 . . . . 72.2 111.552 171.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1022 ' ' LEU . . . . . 0.597 ' HG ' ' HA ' ' A' 1019 ' ' MET . 61.0 mt -48.02 105.7 0.52 Allowed Pre-proline 0 N--CA 1.505 2.295 0 O-C-N 123.743 0.652 . . . . 72.01 111.958 174.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -96.77 15.46 0.8 Allowed 'Trans proline' 0 C--N 1.375 1.958 0 C-N-CA 123.048 2.498 . . . . 73.22 112.042 176.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -80.91 -66.0 0.94 Allowed 'General case' 0 C--N 1.35 0.615 0 C-N-CA 123.603 0.761 . . . . 63.2 110.09 -177.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1025 ' ' VAL . . . . . . . . . . . . . 39.1 t . . . . . 0 C--O 1.249 1.044 0 N-CA-C 108.827 -0.805 . . . . 65.01 108.827 -179.751 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ttt . . . . . 0 N--CA 1.481 1.101 0 CA-C-O 119.627 -0.225 . . . . 72.55 111.012 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.9 t -63.4 -39.52 94.73 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-N 118.425 0.557 . . . . 63.22 111.829 -174.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.8 p -67.08 -37.94 84.87 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.1 0.56 . . . . 74.13 111.13 176.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.1 m -59.59 -47.5 85.32 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.52 1.128 . . . . 64.34 110.784 174.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.8 t -64.32 -47.46 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 115.804 -0.635 . . . . 65.24 110.298 -178.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -52.1 -59.92 3.81 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 123.862 0.726 . . . . 75.25 110.175 176.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.695 ' HZ ' HG21 ' A' 1025 ' ' VAL . 27.8 t80 -58.62 -59.2 5.77 Favored 'General case' 0 CA--C 1.556 1.208 0 CA-C-N 114.994 -1.003 . . . . 71.4 111.82 -172.074 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.593 HD11 HG12 ' A' ' 60' ' ' ILE . 71.0 mt -63.42 -47.73 90.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 123.588 0.755 . . . . 74.34 111.607 -175.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.473 HD22 ' N ' ' A' ' 9' ' ' ASN . 0.7 OUTLIER -72.15 -30.49 65.06 Favored 'General case' 0 N--CA 1.485 1.308 0 O-C-N 123.31 0.381 . . . . 63.22 111.554 -172.475 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.507 ' O ' HG13 ' A' ' 14' ' ' ILE . 95.2 mtt180 -71.57 -46.62 58.89 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 119.185 -0.436 . . . . 75.54 110.235 174.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 59.5 m95 -59.75 -37.51 79.19 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-O 120.769 0.319 . . . . 63.13 111.356 175.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -66.21 -41.62 89.88 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.954 0.902 . . . . 70.5 109.997 177.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -62.04 -42.3 99.03 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.878 0.871 . . . . 75.13 110.761 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.554 HG22 ' OG1' ' A' ' 71' ' ' THR . 59.8 mt -68.74 -38.71 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.416 0.686 . . . . 63.32 110.209 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.52 -44.83 89.63 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 122.864 0.466 . . . . 74.3 111.18 178.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.5 mt -66.3 -44.19 84.15 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.555 0.742 . . . . 72.41 110.822 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 45.9 mt -64.11 -44.62 91.73 Favored 'General case' 0 C--O 1.212 -0.891 0 CA-C-N 115.842 -0.617 . . . . 73.25 110.162 178.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.7 t -65.0 -40.72 95.35 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.166 0.586 . . . . 65.34 111.442 -175.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.502 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 13.5 pt20 -70.18 -39.99 74.94 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 123.408 0.443 . . . . 74.31 110.514 178.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.451 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 65.5 m -61.73 -52.5 64.02 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 123.326 0.391 . . . . 73.15 110.268 177.167 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.581 HD13 ' HH2' ' A' 1008 ' ' TRP . 65.0 mt -62.31 -34.24 76.22 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.766 1.226 . . . . 62.52 110.84 -179.098 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.8 tp -62.71 -50.97 69.02 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 123.462 0.477 . . . . 64.3 110.219 175.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.502 ' HG2' ' O ' ' A' ' 19' ' ' GLN . 19.5 mm-40 -58.5 -35.19 71.85 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 123.777 0.673 . . . . 74.51 111.083 178.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.527 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 88.7 mt -75.77 -30.9 59.3 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.717 0.807 . . . . 72.0 111.526 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.524 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -71.95 -35.32 69.54 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-O 121.109 0.48 . . . . 73.22 110.187 176.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -70.67 -38.53 73.78 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.26 -0.882 . . . . 72.45 109.86 175.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -73.31 -27.41 61.52 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.763 0.825 . . . . 54.44 111.281 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.53 17.1 53.75 Favored Glycine 0 C--N 1.341 0.828 0 CA-C-N 116.285 -0.416 . . . . 44.02 113.435 -175.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.527 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 22.5 mm-40 -76.94 71.41 3.45 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.535 0.734 . . . . 73.41 110.452 171.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.403 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 27.6 m95 -67.29 -31.98 72.66 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 115.666 -0.697 . . . . 73.12 110.091 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -66.02 -38.73 89.18 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 114.894 -1.048 . . . . 62.13 111.179 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.1 mt -74.7 -27.02 60.21 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 122.927 0.491 . . . . 73.32 111.235 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 74.3 mt -63.72 -45.38 90.24 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 109.435 -0.58 . . . . 51.24 109.435 170.195 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.473 HD21 ' HG ' ' A' 1005 ' ' LEU . 88.4 mt -68.28 -33.46 74.4 Favored 'General case' 0 N--CA 1.481 1.097 0 O-C-N 123.931 0.769 . . . . 33.24 112.216 178.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -68.4 -51.94 38.48 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 121.706 0.765 . . . . 73.33 109.994 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.436 ' HB2' HD21 ' A' ' 21' ' ' LEU . 14.4 mt-30 -85.43 -8.52 58.35 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.817 1.247 . . . . 74.22 112.448 -176.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.444 ' HG3' ' CE3' ' A' 1008 ' ' TRP . 35.7 tt0 -43.7 -54.79 4.81 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.7 1.2 . . . . 75.05 112.106 175.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 31.4 t -61.28 -36.69 74.54 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 O-C-N 124.126 0.891 . . . . 71.34 111.132 -177.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.4 t -68.48 -41.52 80.01 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.067 0.947 . . . . 44.12 111.878 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -72.45 -43.93 63.09 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.07 0.548 . . . . 74.34 110.496 -175.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.4 mt -68.43 -32.42 72.44 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 115.399 -0.819 . . . . 63.53 110.192 178.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -60.37 -54.6 43.72 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.451 0.7 . . . . 62.43 110.747 173.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.7 p -61.9 -37.14 83.48 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 123.948 0.78 . . . . 61.15 111.563 -177.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.7 mt -61.65 -50.91 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.767 0.827 . . . . 60.42 111.219 174.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -60.19 -46.49 89.54 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 123.776 0.672 . . . . 64.2 110.518 -177.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.402 HG23 ' HD3' ' A' ' 10' ' ' ARG . 14.9 t -74.79 -29.48 61.12 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 115.603 -0.726 . . . . 62.33 112.226 -173.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.8 p -77.27 -37.25 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 CA-C-N 118.665 0.666 . . . . 73.1 110.688 177.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 46.8 ttm -74.53 -26.17 59.81 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 109.421 -0.585 . . . . 75.45 109.421 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -63.93 -35.02 79.28 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 115.268 -0.878 . . . . 63.45 110.597 168.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -84.05 81.0 8.98 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 121.42 0.629 . . . . 63.33 109.405 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -86.28 106.86 17.65 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.369 -0.832 . . . . 63.51 109.152 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 67.4 p -99.64 149.39 35.86 Favored Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 123.47 0.708 . . . . 64.53 110.346 176.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -58.41 157.28 27.2 Favored 'Trans proline' 0 C--N 1.382 2.302 0 C-N-CA 123.026 2.484 . . . . 73.43 113.003 178.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -50.83 -46.56 29.72 Favored 'Trans proline' 0 C--N 1.384 2.412 0 C-N-CA 123.81 3.006 . . . . 72.25 112.461 175.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -66.83 90.29 0.16 Allowed Glycine 0 C--N 1.345 1.042 0 CA-C-N 114.986 -1.006 . . . . 31.15 111.922 174.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.1 tp -123.25 135.34 63.52 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.947 0 N-CA-C 107.636 -1.246 . . . . 43.31 107.636 175.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.0 t -66.5 160.44 25.08 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.429 0.692 . . . . 63.44 112.123 -167.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -53.41 -45.44 69.35 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 124.844 1.258 . . . . 74.22 113.067 -171.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.5 m -58.14 -57.34 13.29 Favored 'General case' 0 C--O 1.25 1.091 0 C-N-CA 123.188 0.595 . . . . 71.34 111.584 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.593 HG12 HD11 ' A' ' 8' ' ' ILE . 61.5 mt -63.37 -47.36 92.28 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 CA-C-N 115.023 -0.989 . . . . 74.43 110.617 -178.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -56.49 -46.16 80.63 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.133 0.973 . . . . 71.52 111.574 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -66.54 -51.97 50.74 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.309 0.644 . . . . 71.22 111.026 -178.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 74.3 mtm -59.96 -47.35 86.17 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 123.599 0.562 . . . . 73.34 110.706 -178.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 37.0 t -66.95 -35.4 74.61 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.82 0 C-N-CA 124.088 0.955 . . . . 64.43 111.219 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.67 -34.21 77.77 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.748 0.419 . . . . 73.34 110.608 175.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.97 -46.87 90.35 Favored Glycine 0 C--N 1.351 1.385 0 CA-C-N 114.806 -1.088 . . . . 74.44 111.535 172.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -67.47 -34.43 77.16 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.431 0.692 . . . . 75.31 111.669 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 15.3 mt -68.7 -56.87 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 124.501 1.121 . . . . 61.52 110.137 -178.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -68.92 -27.21 65.56 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 119.41 -0.328 . . . . 70.54 111.357 -178.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -64.05 -59.39 4.52 Favored 'General case' 0 C--N 1.358 0.977 0 N-CA-C 109.439 -0.578 . . . . 72.41 109.439 172.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.554 ' OG1' HG22 ' A' ' 14' ' ' ILE . 12.5 t -65.6 -32.27 73.76 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 123.506 0.504 . . . . 52.21 111.7 -174.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 26.3 mt -69.52 -47.67 63.0 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.398 0.436 . . . . 65.52 110.755 177.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -59.41 -44.79 92.79 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-O 121.487 0.661 . . . . 34.45 110.708 178.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.439 HD22 ' N ' ' A' ' 74' ' ' ASN . 0.8 OUTLIER -75.19 -35.42 61.54 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 114.649 -1.16 . . . . 74.54 110.524 -173.778 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.598 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 31.9 tt0 -79.37 -24.42 42.66 Favored 'General case' 0 N--CA 1.482 1.141 0 O-C-N 123.752 0.657 . . . . 65.35 110.713 176.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -67.26 -47.48 70.61 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 108.714 -0.846 . . . . 74.44 108.714 174.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.8 mt -63.53 -39.06 93.44 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 114.4 -1.273 . . . . 75.25 110.751 174.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.598 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 13.9 mt -57.73 -63.43 1.25 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.353 0.661 . . . . 74.43 110.886 174.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.3 pptp? -66.09 -28.97 69.23 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 123.415 0.447 . . . . 72.13 111.494 -171.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.28 -51.19 34.0 Favored Glycine 0 C--N 1.351 1.381 0 O-C-N 123.714 0.634 . . . . 75.32 112.141 175.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.524 HD22 ' HB1' ' A' ' 25' ' ' ALA . 8.5 tt -60.71 -45.85 92.64 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.094 0.958 . . . . 74.44 110.452 178.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.638 HD13 ' HE1' ' A' 1008 ' ' TRP . 53.5 mt -75.4 -36.4 60.87 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.352 1.061 . . . . 71.44 111.337 -171.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.1 tm0? -62.19 -51.26 68.54 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 108.372 -0.973 . . . . 62.21 108.372 172.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -55.92 -41.78 75.11 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 124.214 0.946 . . . . 74.03 111.364 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -65.12 -51.93 58.37 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.996 0.918 . . . . 70.4 109.828 -177.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.591 HD11 ' HB3' ' A' 1005 ' ' LEU . 92.4 mt -71.73 -26.28 62.41 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.161 0.584 . . . . 71.32 112.023 -177.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -70.82 -47.84 57.26 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.005 0.922 . . . . 71.51 108.62 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.546 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 10.2 mm-40 -58.79 -53.54 57.22 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-N 114.689 -1.141 . . . . 70.32 110.187 172.121 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 76.4 mt -53.34 -39.19 63.93 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 124.126 0.971 . . . . 74.21 112.035 178.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 73.9 m -64.57 -44.52 90.43 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 109.784 -0.45 . . . . 71.22 109.784 176.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 35.6 t -67.83 -26.13 65.9 Favored 'General case' 0 CA--C 1.558 1.264 0 C-N-CA 123.511 0.724 . . . . 72.02 112.407 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 68.2 mt -82.17 -44.09 16.87 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.233 0.613 . . . . 63.32 110.71 -178.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 85.4 mt -77.63 -42.49 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 123.866 0.866 . . . . 74.13 110.62 -174.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.4 106.64 0.3 Allowed Glycine 0 C--N 1.337 0.627 0 N-CA-C 111.014 -0.834 . . . . 52.52 111.014 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -67.49 80.02 0.17 Allowed 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.045 0.938 . . . . 70.42 111.228 -173.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.506 HG12 ' H ' ' A' ' 97' ' ' LEU . 7.9 t -128.83 -177.13 1.81 Allowed 'Isoleucine or valine' 0 CA--C 1.561 1.393 0 N-CA-C 106.277 -1.749 . . . . 71.5 106.277 178.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.506 ' H ' HG12 ' A' ' 96' ' ' VAL . 41.5 mt -56.94 89.73 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 119.222 0.919 . . . . 72.22 111.37 173.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.39 153.14 5.73 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.358 1.463 . . . . 73.43 112.336 176.331 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 58.36 64.56 1.45 Allowed 'General case' 0 CA--C 1.556 1.204 0 CA-C-O 122.319 1.056 . . . . 65.34 109.013 -167.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -119.63 81.83 0.33 Allowed Glycine 0 C--N 1.342 0.913 0 CA-C-N 114.668 -1.151 . . . . 54.25 110.888 177.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -74.99 -9.66 20.89 Favored 'Trans proline' 0 C--N 1.378 2.09 0 C-N-CA 122.795 2.33 . . . . 51.13 113.194 -176.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 77.7 p -111.62 11.2 21.16 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.828 0.851 . . . . 74.44 110.964 -178.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -138.98 140.85 38.33 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.511 0.725 . . . . 73.22 110.162 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -82.38 72.83 2.74 Favored Glycine 0 C--N 1.349 1.303 0 O-C-N 123.64 0.588 . . . . 65.23 111.996 177.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 62.8 mt -67.43 -44.79 77.87 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.08 0.952 . . . . 74.11 110.561 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.465 ' HB ' HD12 ' A' ' 113' ' ' ILE . 24.7 m -90.12 141.43 27.83 Favored Pre-proline 0 CA--C 1.55 0.961 0 CA-C-N 114.495 -1.23 . . . . 60.22 109.131 179.032 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -51.07 159.77 2.41 Favored 'Trans proline' 0 C--N 1.376 1.983 0 C-N-CA 122.961 2.441 . . . . 65.21 113.584 168.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.473 ' HA ' ' HB2' ' A' ' 114' ' ' GLU . 4.1 mpt_? -70.87 -59.31 2.87 Favored 'General case' 0 C--O 1.248 0.984 0 CA-C-N 116.046 -0.525 . . . . 71.44 110.521 -178.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 62.68 48.23 83.05 Favored Glycine 0 C--N 1.35 1.312 0 N-CA-C 110.986 -0.846 . . . . 64.1 110.986 -171.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 89.3 p 57.86 -71.82 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 126.455 1.902 . . . . 64.02 110.917 -165.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -150.3 37.52 0.92 Allowed Glycine 0 C--N 1.346 1.134 0 N-CA-C 111.108 -0.797 . . . . 65.02 111.108 172.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -81.36 -100.22 0.38 Allowed Glycine 0 C--N 1.348 1.202 0 O-C-N 123.985 0.462 . . . . 64.4 112.451 -174.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.465 HD12 ' HB ' ' A' ' 106' ' ' VAL . 34.5 pt -68.01 -31.0 50.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 122.805 0.442 . . . . 72.41 111.157 -178.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.473 ' HB2' ' HA ' ' A' ' 108' ' ' ARG . 26.3 tt0 -61.17 -46.09 91.93 Favored 'General case' 0 C--N 1.361 1.098 0 N-CA-C 109.344 -0.613 . . . . 70.22 109.344 172.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.401 ' O ' ' HG3' ' A' 1004 ' ' ARG . . . -57.52 -52.23 53.06 Favored Glycine 0 C--N 1.353 1.476 0 O-C-N 123.831 0.707 . . . . 52.42 112.255 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 47.9 ttp -55.15 -51.87 65.11 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.267 1.027 . . . . 75.1 111.798 177.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 41.3 p -66.19 -39.6 89.8 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 116.207 -0.452 . . . . 71.0 111.529 -177.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1003 ' ' THR . . . . . 0.511 ' O ' ' HG2' ' A' 1007 ' ' ARG . 95.9 m -60.42 -49.52 77.26 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.284 0.634 . . . . 60.45 109.888 179.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1004 ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 115' ' ' GLY . 94.9 mtt180 -54.56 -53.16 58.25 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.973 0.796 . . . . 72.32 110.477 176.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . 0.591 ' HB3' HD11 ' A' ' 86' ' ' LEU . 51.0 mt -72.33 -22.05 61.23 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 113.376 0.88 . . . . 74.25 113.376 -174.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 32.6 p -80.62 -40.97 24.74 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 119.045 0.839 . . . . 60.41 110.387 177.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1007 ' ' ARG . . . . . 0.511 ' HG2' ' O ' ' A' 1003 ' ' THR . 35.0 mmt180 -64.46 -36.74 85.16 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-O 121.621 0.724 . . . . 62.42 109.657 173.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1008 ' ' TRP . . . . . 0.638 ' HE1' HD13 ' A' ' 82' ' ' LEU . 20.4 t-105 -61.27 -52.77 63.34 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.176 -1.375 . . . . 73.34 110.432 174.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1009 ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' 1005 ' ' LEU . 40.2 mt -64.65 -36.06 83.04 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.033 0.533 . . . . 71.34 112.341 -177.014 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 14.0 t -75.47 -27.88 59.02 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 117.66 0.209 . . . . 44.4 110.501 178.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -73.54 -32.99 64.49 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.846 0.458 . . . . 73.51 111.221 173.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1012 ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' 1008 ' ' TRP . 26.3 mt -68.3 -45.25 73.55 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 109.322 -0.622 . . . . 74.43 109.322 173.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 35.5 t70 -61.35 -37.43 83.3 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 114.623 -1.171 . . . . 51.4 110.401 178.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 8.7 t30 -63.02 -53.05 59.94 Favored 'General case' 0 C--N 1.349 0.554 0 O-C-N 124.33 1.019 . . . . 73.24 110.011 175.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 52.2 t80 -59.49 -60.67 3.47 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 123.705 0.628 . . . . 74.21 110.314 -178.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -44.53 -55.26 5.26 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.257 1.423 . . . . 63.14 112.646 176.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -64.37 -56.27 15.51 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.089 0.556 . . . . 74.32 112.323 -177.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1018 ' ' LYS . . . . . 0.523 ' HE2' ' HA ' ' A' 1018 ' ' LYS . 9.7 mmpt? -63.27 -39.63 95.13 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.266 0.626 . . . . 63.43 111.557 -175.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1019 ' ' MET . . . . . 0.534 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.0 OUTLIER -79.08 -22.66 44.94 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.056 -0.52 . . . . 62.23 110.68 -176.68 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -67.34 -36.7 81.97 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.52 0.328 . . . . 33.21 110.232 166.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1021 ' ' LEU . . . . . . . . . . . . . 79.8 mt -77.41 -20.41 54.66 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 118.336 -0.84 . . . . 32.13 112.717 179.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1022 ' ' LEU . . . . . 0.534 ' HG ' ' HA ' ' A' 1019 ' ' MET . 47.4 mt -48.05 107.93 0.83 Allowed Pre-proline 0 N--CA 1.5 2.048 0 C-N-CA 123.413 0.685 . . . . 71.43 111.727 174.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -92.44 14.13 1.75 Allowed 'Trans proline' 0 C--N 1.377 2.059 0 C-N-CA 123.291 2.66 . . . . 73.11 111.947 -178.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -88.86 -71.54 0.59 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.586 0.754 . . . . 65.43 110.835 -174.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1025 ' ' VAL . . . . . 0.695 HG21 ' HZ ' ' A' ' 7' ' ' PHE . 21.2 t . . . . . 0 CA--C 1.555 1.16 0 C-N-CA 123.804 0.842 . . . . 37.49 110.017 -166.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 ptt? . . . . . 0 N--CA 1.487 1.403 0 N-CA-C 110.874 -0.047 . . . . 73.02 110.874 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.8 m -53.44 -46.15 69.73 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.113 0.965 . . . . 75.55 111.393 -179.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.462 ' HB2' ' HG3' ' A' ' 53' ' ' PRO . 77.3 p -62.11 -46.41 89.19 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.418 1.087 . . . . 75.44 111.643 179.329 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 78.2 m -56.24 -57.82 10.59 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 124.833 1.253 . . . . 74.21 111.176 178.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.5 t -58.16 -45.16 88.76 Favored 'Isoleucine or valine' 0 C--N 1.35 0.605 0 C-N-CA 123.576 0.75 . . . . 62.55 110.775 -178.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.0 -55.66 31.32 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 115.762 -0.654 . . . . 70.3 110.5 -176.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -59.84 -52.22 66.36 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 124.821 1.249 . . . . 73.44 111.493 -175.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.472 HG23 ' HE1' ' A' ' 67' ' ' TYR . 93.1 mt -61.46 -50.5 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 123.681 0.792 . . . . 71.11 111.176 -177.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.73 -32.73 73.56 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.158 0.583 . . . . 71.02 111.741 -173.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.439 ' O ' HG13 ' A' ' 14' ' ' ILE . 99.2 mtt180 -66.92 -52.86 38.02 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 109.857 -0.423 . . . . 74.3 109.857 174.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -59.67 -35.11 73.8 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 112.04 0.385 . . . . 64.11 112.04 177.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.436 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 47.2 tt0 -63.05 -50.38 70.85 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.968 0.907 . . . . 74.51 109.858 179.262 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.3 tpt180 -55.44 -45.94 76.78 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 124.607 1.192 . . . . 72.53 110.415 177.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 10' ' ' ARG . 80.7 mt -63.36 -37.68 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 123.942 0.897 . . . . 64.35 111.232 -178.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.33 -42.3 93.04 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.038 0.535 . . . . 64.51 110.858 177.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 81.2 mt -70.26 -34.04 72.33 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.561 0.744 . . . . 52.33 111.003 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.592 HD13 ' HA ' ' A' ' 40' ' ' TYR . 80.1 mt -66.1 -60.39 2.86 Favored 'General case' 0 C--O 1.206 -1.219 0 C-N-CA 123.673 0.789 . . . . 72.43 109.301 177.136 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.1 p -57.27 -34.9 69.11 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.943 0.897 . . . . 52.33 111.953 -178.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -62.73 -54.08 44.66 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.95 0.9 . . . . 61.02 111.406 175.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.546 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 73.2 p -63.82 -42.72 97.6 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.877 -0.601 . . . . 73.44 110.285 -178.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.51 HD23 HD12 ' A' ' 24' ' ' LEU . 98.7 mt -63.43 -38.66 92.0 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.329 1.451 . . . . 61.55 110.967 179.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.455 HD22 ' HA ' ' A' ' 74' ' ' ASN . 48.4 tp -61.8 -47.52 84.76 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 123.631 0.582 . . . . 54.44 109.54 176.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.485 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 38.5 tt0 -59.14 -40.97 87.12 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 124.46 1.1 . . . . 65.42 110.467 178.212 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 20' ' ' SER . 91.3 mt -58.7 -49.36 77.85 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.227 0.611 . . . . 74.12 110.165 178.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.57 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -63.6 -35.85 81.87 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.439 0.695 . . . . 72.51 111.992 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -71.56 -28.17 63.67 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 123.59 0.756 . . . . 55.12 111.203 177.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 29.7 mmt180 -91.62 -19.45 22.69 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 123.511 0.724 . . . . 73.02 111.631 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.32 17.21 51.07 Favored Glycine 0 N--CA 1.474 1.178 0 N-CA-C 113.597 0.199 . . . . 72.13 113.597 -176.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -84.77 92.62 8.27 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.029 0.932 . . . . 64.13 110.463 174.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 29.7 m95 -89.74 -23.03 21.9 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.045 0.938 . . . . 75.31 111.793 -177.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -71.18 -52.78 17.27 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-N 117.628 0.195 . . . . 73.31 110.868 -177.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 68.1 mt -66.01 -25.1 66.92 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.032 0.133 . . . . 73.43 110.912 176.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.454 HD12 HD22 ' A' ' 21' ' ' LEU . 17.1 tp -65.55 -46.25 80.25 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 123.714 0.634 . . . . 54.34 109.926 175.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.3 mt -74.38 -25.41 59.47 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.951 0.9 . . . . 74.35 112.026 178.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -78.56 -40.95 33.34 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 121.551 0.691 . . . . 75.45 110.167 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -87.58 -10.09 52.52 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.511 1.124 . . . . 52.12 111.815 176.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -45.39 -60.24 2.26 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 124.207 1.003 . . . . 73.42 111.067 171.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.4 m -65.74 -29.08 45.85 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-N 114.633 -1.167 . . . . 75.41 112.083 -175.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.0 m -68.79 -44.84 72.77 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.384 0.674 . . . . 61.41 110.487 177.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.592 ' HA ' HD13 ' A' ' 17' ' ' LEU . 54.2 t80 -65.75 -47.41 75.35 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.189 0.996 . . . . 75.43 110.588 -178.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 76.7 mt -68.94 -34.47 75.41 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 123.924 0.765 . . . . 53.42 110.902 -177.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -62.91 -45.21 93.56 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 122.912 0.485 . . . . 64.41 110.776 174.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 42.1 m -64.52 -37.0 86.02 Favored 'General case' 0 CA--C 1.551 1.015 0 CA-C-N 115.615 -0.72 . . . . 50.53 111.306 179.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.0 mt -57.2 -50.85 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.521 1.128 . . . . 72.34 110.578 173.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 45.6 mt-10 -57.78 -56.1 26.32 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-N 114.658 -1.156 . . . . 74.14 110.545 -179.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.0 t -66.72 -33.14 74.98 Favored 'General case' 0 CA--C 1.55 0.943 0 O-C-N 123.415 0.447 . . . . 52.1 111.913 -172.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.7 p -74.4 -33.61 33.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 O-C-N 121.955 -0.465 . . . . 41.1 110.76 178.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 45.5 ttm -76.2 -22.04 55.75 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 116.043 -0.526 . . . . 63.32 110.116 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 23.6 mm-40 -76.03 -32.93 59.6 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.28 0.632 . . . . 71.5 110.392 170.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.406 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -74.54 102.18 4.43 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 109.407 -0.59 . . . . 54.23 109.407 179.201 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -63.19 134.04 55.3 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-N 115.105 -0.952 . . . . 71.31 109.8 173.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.2 m -70.67 137.46 85.7 Favored Pre-proline 0 CA--C 1.549 0.94 0 CA-C-N 115.34 -0.845 . . . . 74.24 109.57 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.462 ' HG3' ' HB2' ' A' ' 3' ' ' SER . 51.8 Cg_exo -54.87 152.94 26.87 Favored 'Trans proline' 0 C--N 1.381 2.267 0 C-N-CA 122.509 2.14 . . . . 71.14 112.693 175.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -58.42 -54.58 2.86 Favored 'Trans proline' 0 C--N 1.383 2.342 0 C-N-CA 123.289 2.659 . . . . 63.21 112.227 -178.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -86.22 67.89 3.42 Favored Glycine 0 C--N 1.343 0.965 0 CA-C-N 115.369 -0.832 . . . . 75.32 111.44 175.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.517 HG13 ' HB2' ' A' ' 61' ' ' GLN . 8.2 tp -71.88 87.11 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 CA-C-O 122.218 1.009 . . . . 44.12 108.628 175.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.8 t -63.57 155.6 29.07 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 114.315 -1.311 . . . . 63.44 112.046 -175.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.623 HH21 ' HB3' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -52.66 -40.06 62.47 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.512 1.125 . . . . 75.32 111.637 -173.055 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 59.5 p -59.95 -57.29 13.49 Favored 'General case' 0 C--O 1.25 1.083 0 C-N-CA 123.434 0.694 . . . . 70.12 111.657 -178.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.1 mt -61.09 -54.07 40.45 Favored 'Isoleucine or valine' 0 C--N 1.359 1.004 0 C-N-CA 123.392 0.677 . . . . 54.33 109.278 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.517 ' HB2' HG13 ' A' ' 56' ' ' ILE . 7.3 tt0 -52.16 -40.84 61.98 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.758 1.223 . . . . 60.15 112.291 -177.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.623 ' HB3' HH21 ' A' ' 58' ' ' ARG . 34.2 t70 -77.87 -38.74 45.29 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.381 0.672 . . . . 74.54 111.633 -175.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 63.4 mtm -65.94 -45.58 81.3 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 109.835 -0.432 . . . . 73.11 109.835 175.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.8 t -61.86 -41.49 90.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 124.68 1.192 . . . . 62.12 110.745 175.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' A' ' 69' ' ' LYS . . . -64.95 -31.98 73.48 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 122.96 0.504 . . . . 73.01 109.944 176.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.04 -45.66 95.1 Favored Glycine 0 C--N 1.35 1.355 0 N-CA-C 111.472 -0.651 . . . . 71.24 111.472 173.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.472 ' HE1' HG23 ' A' ' 8' ' ' ILE . 16.0 m-85 -69.2 -32.34 71.54 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.206 0.602 . . . . 62.1 111.471 178.336 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.421 HD12 HG11 ' A' 1025 ' ' VAL . 17.0 mt -69.74 -46.69 73.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.396 1.079 . . . . 75.24 110.286 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 14.6 mmmm -71.84 -31.88 66.95 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.541 -0.299 . . . . 71.1 110.615 179.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -56.87 -59.41 5.08 Favored 'General case' 0 C--N 1.358 0.951 0 O-C-N 123.78 0.675 . . . . 64.13 109.408 169.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.4 t -69.81 -34.87 74.28 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 115.947 -0.569 . . . . 70.11 111.965 -169.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 53.3 mt -72.55 -36.89 68.36 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 122.957 0.503 . . . . 63.4 111.67 178.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -72.73 -45.54 58.19 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-O 121.058 0.456 . . . . 75.43 109.957 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.455 ' HA ' HD22 ' A' ' 22' ' ' LEU . 11.5 m120 -66.86 -36.41 82.25 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.367 -0.833 . . . . 54.32 110.92 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.449 ' HG2' ' HD2' ' A' ' 79' ' ' LYS . 39.4 tt0 -70.72 -37.78 73.55 Favored 'General case' 0 C--O 1.209 -1.043 0 O-C-N 123.752 0.658 . . . . 64.13 110.295 175.475 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -64.03 -42.04 97.22 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 121.234 0.54 . . . . 43.0 110.233 -179.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.5 mt -68.52 -36.57 79.05 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.1 -0.955 . . . . 63.43 110.956 174.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.9 mt -59.07 -64.06 1.08 Allowed 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.498 0.719 . . . . 72.12 110.818 174.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.449 ' HD2' ' HG2' ' A' ' 75' ' ' GLU . 10.9 ptmt -65.71 -29.06 69.54 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.34 1.056 . . . . 74.0 111.187 -172.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.85 -62.77 5.38 Favored Glycine 0 C--N 1.352 1.444 0 O-C-N 124.085 0.866 . . . . 53.52 111.799 169.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.57 HD22 ' HB1' ' A' ' 25' ' ' ALA . 9.1 tt -56.76 -42.15 78.85 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.766 0.826 . . . . 53.41 110.885 -178.012 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 40.3 mt -71.2 -44.58 65.13 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 114.852 -1.067 . . . . 73.04 111.351 -173.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.418 ' HG3' ' N ' ' A' ' 84' ' ' GLN . 4.0 pt20 -67.8 -39.31 84.02 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 109.606 -0.516 . . . . 64.51 109.606 179.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.418 ' N ' ' HG3' ' A' ' 83' ' ' GLN . 20.2 mm-40 -59.1 -45.22 91.44 Favored 'General case' 0 C--N 1.361 1.106 0 O-C-N 123.88 0.737 . . . . 74.34 110.446 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.429 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 50.4 ttt-85 -72.24 -35.83 68.92 Favored 'General case' 0 C--O 1.212 -0.91 0 CA-C-N 115.09 -0.959 . . . . 63.02 110.269 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.453 HD11 ' HB3' ' A' 1005 ' ' LEU . 75.6 mt -69.41 -25.31 64.08 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-O 119.199 -0.429 . . . . 74.14 110.438 176.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -68.45 -44.23 75.35 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.587 0.755 . . . . 63.31 109.01 173.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.558 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 45.3 mm-40 -59.22 -60.75 3.36 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 115.08 -0.964 . . . . 74.41 110.06 175.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 86.0 mt -56.35 -40.5 74.6 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.196 1.398 . . . . 74.4 111.839 -176.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.813 ' HB2' HD12 ' A' ' 105' ' ' LEU . 93.4 p -71.91 -30.3 65.21 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 122.521 0.328 . . . . 61.32 110.86 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 46.6 t -75.53 -26.18 57.83 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.765 0.426 . . . . 64.22 111.372 171.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 68.3 mt -78.37 -42.21 31.08 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 122.782 0.433 . . . . 65.51 111.079 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.452 HG21 HG12 ' A' ' 106' ' ' VAL . 72.7 mt -82.82 -42.38 18.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 123.851 0.861 . . . . 61.53 109.596 -178.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -131.91 -138.92 4.25 Favored Glycine 0 C--N 1.348 1.211 0 CA-C-N 115.706 -0.679 . . . . 72.34 111.803 -177.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -136.88 125.72 24.1 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 108.269 -1.012 . . . . 64.22 108.269 176.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 90.6 t -72.05 117.56 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.238 0.615 . . . . 74.14 109.603 176.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.9 mp -74.66 -41.69 59.85 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.155 0.582 . . . . 62.21 111.349 -179.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -157.16 -42.65 0.07 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.99 0.916 . . . . 72.55 110.007 -176.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.414 ' HB3' ' HB2' ' A' ' 102' ' ' SER . 6.3 tp-100 -144.7 128.11 16.92 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 107.096 -1.446 . . . . 44.24 107.096 178.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -55.27 -63.94 4.82 Favored Glycine 0 C--N 1.351 1.385 0 CA-C-O 119.246 -0.752 . . . . 32.02 113.918 -176.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -53.46 -41.14 75.52 Favored 'Trans proline' 0 C--N 1.379 2.16 0 C-N-CA 123.497 2.798 . . . . 71.31 114.576 175.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.414 ' HB2' ' HB3' ' A' ' 99' ' ' GLN . 17.8 m -88.72 -6.99 57.07 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 113.09 0.774 . . . . 74.12 113.09 -171.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -72.44 -30.22 64.41 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-O 120.781 0.324 . . . . 75.24 110.547 177.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 71.9 53.79 9.07 Favored Glycine 0 C--N 1.35 1.348 0 CA-C-N 115.442 -0.799 . . . . 53.15 111.328 -176.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.813 HD12 ' HB2' ' A' ' 90' ' ' SER . 87.2 mt -82.37 -170.86 3.14 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.571 0.749 . . . . 75.34 110.894 178.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.452 HG12 HG21 ' A' ' 93' ' ' ILE . 27.4 m 46.5 64.34 8.42 Favored Pre-proline 0 CA--C 1.566 1.564 0 C-N-CA 125.742 1.617 . . . . 71.14 112.495 -171.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -63.37 -42.73 20.73 Favored 'Trans proline' 0 C--N 1.391 2.815 0 C-N-CA 123.039 2.492 . . . . 72.13 111.878 -176.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -86.55 114.56 23.38 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 108.661 -0.866 . . . . 72.33 108.661 175.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -71.94 85.57 0.47 Allowed Glycine 0 C--N 1.342 0.9 0 O-C-N 123.887 0.742 . . . . 53.13 113.825 -174.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 32.1 t -86.68 74.38 9.85 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 123.413 0.685 . . . . 72.44 110.316 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 48.8 -99.15 0.02 OUTLIER Glycine 0 C--N 1.351 1.413 0 C-N-CA 125.174 1.368 . . . . 72.23 116.334 168.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -66.12 -47.88 69.46 Favored Glycine 0 C--N 1.355 1.6 0 C-N-CA 123.723 0.678 . . . . 64.33 113.969 -173.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 42.6 pt -68.28 -31.81 53.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 CA-C-N 117.014 0.407 . . . . 70.14 110.772 -179.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -62.72 -58.91 5.81 Favored 'General case' 0 C--N 1.351 0.637 0 N-CA-C 109.197 -0.668 . . . . 73.24 109.197 177.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -53.21 -48.56 58.89 Favored Glycine 0 C--N 1.352 1.441 0 O-C-N 124.332 1.02 . . . . 73.24 112.641 178.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 48.7 ttp -53.63 -58.68 6.31 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.707 0.803 . . . . 73.41 111.276 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 62.9 p -66.16 -54.06 29.93 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 116.274 -0.421 . . . . 65.22 111.42 -174.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 66.6 p -61.46 -43.55 98.67 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.019 0.528 . . . . 71.33 111.821 -173.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -70.5 -44.05 68.43 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 123.362 0.414 . . . . 71.5 111.053 -178.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . 0.538 ' O ' ' HG ' ' A' 1009 ' ' LEU . 40.3 mt -66.07 -39.17 89.86 Favored 'General case' 0 C--N 1.357 0.923 0 O-C-N 123.264 0.352 . . . . 71.21 111.675 178.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 66.5 p -69.27 -38.56 78.46 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 118.14 0.427 . . . . 73.41 110.86 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -65.87 -35.2 79.98 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.398 0.679 . . . . 73.32 110.392 173.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1008 ' ' TRP . . . . . 0.555 ' O ' ' HG ' ' A' 1012 ' ' LEU . 0.3 OUTLIER -65.58 -41.34 92.98 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 114.916 -1.038 . . . . 72.24 109.658 175.877 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1009 ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' 1005 ' ' LEU . 88.6 mt -71.65 -30.82 66.16 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.145 0.578 . . . . 74.05 109.571 -178.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 64.9 m -64.85 -44.81 88.57 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.44 1.096 . . . . 53.4 110.167 173.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -71.48 -29.13 64.48 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.54 0.736 . . . . 41.02 111.468 179.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1012 ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' 1008 ' ' TRP . 22.7 mt -70.04 -44.13 69.85 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 109.268 -0.641 . . . . 52.35 109.268 176.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 31.0 t70 -62.27 -40.12 95.18 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.067 0.947 . . . . 73.4 110.492 178.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -62.37 -51.11 68.88 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 115.267 -0.879 . . . . 44.01 110.724 177.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 46.1 t80 -57.4 -60.44 3.63 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 123.973 0.795 . . . . 73.45 110.075 178.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -41.87 -54.88 3.27 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.637 1.575 . . . . 70.3 111.983 177.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1017 ' ' ALA . . . . . 0.409 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -60.76 -60.0 4.5 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 124.075 0.859 . . . . 64.11 112.468 -178.16 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -70.67 -30.58 67.22 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.283 0.633 . . . . 75.04 111.867 -170.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1019 ' ' MET . . . . . 0.495 ' HA ' ' HG ' ' A' 1022 ' ' LEU . 0.0 OUTLIER -80.71 -28.22 36.72 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 116.229 -0.441 . . . . 71.15 110.025 -179.111 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -67.27 -37.13 82.96 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 109.359 -0.608 . . . . 64.23 109.359 168.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1021 ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' 1017 ' ' ALA . 91.7 mt -71.8 -23.28 61.53 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 118.43 -0.795 . . . . 74.24 112.315 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1022 ' ' LEU . . . . . 0.495 ' HG ' ' HA ' ' A' 1019 ' ' MET . 62.2 mt -46.68 107.78 0.75 Allowed Pre-proline 0 N--CA 1.494 1.752 0 O-C-N 123.727 0.642 . . . . 74.21 110.835 171.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -87.78 12.47 2.88 Favored 'Trans proline' 0 C--N 1.375 1.971 0 C-N-CA 122.728 2.285 . . . . 62.41 111.626 178.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -90.48 -26.91 19.56 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.55 1.14 . . . . 50.44 111.716 -176.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1025 ' ' VAL . . . . . 0.421 HG11 HD12 ' A' ' 68' ' ' ILE . 36.6 t . . . . . 0 C--O 1.252 1.229 0 N-CA-C 108.441 -0.948 . . . . 74.34 108.441 175.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 ttt . . . . . 0 N--CA 1.481 1.115 0 CA-C-O 119.378 -0.344 . . . . 71.11 111.389 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.1 p -57.5 -41.25 80.39 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 118.685 0.675 . . . . 72.25 111.264 179.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.2 t -59.37 -46.97 87.18 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.369 0.668 . . . . 75.41 110.553 174.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.3 m -57.74 -54.33 48.05 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.382 1.073 . . . . 50.41 111.891 178.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 84.8 t -59.09 -57.01 13.25 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 O-C-N 123.943 0.777 . . . . 73.34 109.842 -176.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -57.6 -45.03 85.82 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 123.801 0.688 . . . . 73.52 111.196 -178.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -60.26 -55.28 35.62 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.425 0.69 . . . . 73.35 111.157 -175.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.66 HD11 HG12 ' A' ' 60' ' ' ILE . 74.5 mt -64.16 -42.29 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 123.448 0.699 . . . . 74.32 111.088 -178.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.15 -37.2 83.37 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.047 0.539 . . . . 74.03 110.853 -177.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.55 ' HD3' HG23 ' A' ' 46' ' ' THR . 91.3 mtt180 -71.68 -47.76 51.97 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.704 0.402 . . . . 71.22 110.012 -179.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -57.93 -38.66 76.33 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 123.146 0.279 . . . . 71.41 111.121 174.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.469 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 57.8 tt0 -58.48 -57.73 11.64 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 123.795 0.685 . . . . 74.31 109.977 177.37 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.438 ' HG2' ' HA ' ' A' ' 10' ' ' ARG . 12.1 ptm180 -66.22 -25.92 67.14 Favored 'General case' 0 C--O 1.212 -0.879 0 O-C-N 123.644 0.59 . . . . 60.21 111.79 -175.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 10' ' ' ARG . 88.3 mt -70.15 -41.82 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 C-N-CA 123.176 0.59 . . . . 73.11 110.13 176.003 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.5 -41.26 89.13 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.65 0.38 . . . . 41.45 110.647 176.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.57 ' HA ' HE21 ' A' ' 19' ' ' GLN . 82.6 mt -66.51 -42.58 87.11 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.517 0.727 . . . . 62.0 110.393 179.301 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 40' ' ' TYR . 37.5 mt -67.05 -46.43 74.42 Favored 'General case' 0 C--O 1.207 -1.172 0 C-N-CA 123.076 0.551 . . . . 61.11 110.061 178.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.1 p -64.14 -38.96 92.96 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 117.867 0.303 . . . . 75.11 111.447 -176.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.57 HE21 ' HA ' ' A' ' 16' ' ' LEU . 25.7 pt20 -76.48 -35.62 58.29 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 123.077 0.236 . . . . 71.53 111.463 -179.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 86.5 p -69.82 -50.95 37.89 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 109.695 -0.483 . . . . 64.13 109.695 178.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.465 HD13 ' HH2' ' A' 1008 ' ' TRP . 91.3 mt -57.89 -34.29 69.64 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.745 1.218 . . . . 74.42 111.303 174.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 36.6 tp -63.09 -50.36 70.84 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 110.131 -0.322 . . . . 73.24 110.131 175.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -65.77 -24.8 67.02 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 123.694 0.621 . . . . 73.33 111.319 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.451 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 97.0 mt -77.07 -33.36 57.13 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.581 0.752 . . . . 71.21 110.468 173.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.578 ' HB1' HD22 ' A' ' 81' ' ' LEU . . . -71.39 -31.0 66.79 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.111 0.564 . . . . 74.2 109.902 176.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -73.42 -36.91 66.04 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.984 0.914 . . . . 74.11 109.923 172.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.464 ' HB3' ' HG2' ' A' ' 29' ' ' GLU . 9.7 tpp180 -77.44 -17.36 58.16 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.825 0.85 . . . . 75.55 111.768 -178.575 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.09 18.08 65.75 Favored Glycine 0 C--N 1.348 1.198 0 CA-C-N 116.614 -0.267 . . . . 74.22 113.698 -178.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.464 ' HG2' ' HB3' ' A' ' 27' ' ' ARG . 28.5 mm-40 -79.85 69.49 6.21 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.086 0.954 . . . . 65.25 111.335 178.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 31.9 m95 -64.81 -32.07 73.59 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.71 0.804 . . . . 65.31 110.417 -177.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -63.11 -49.28 75.07 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.244 1.017 . . . . 74.43 110.859 177.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.4 mt -67.37 -30.39 70.17 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.022 0.529 . . . . 54.31 111.292 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 81.9 mt -64.71 -49.69 69.88 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 122.778 0.431 . . . . 73.52 110.498 174.108 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.558 HD21 ' HG ' ' A' 1005 ' ' LEU . 85.7 mt -73.3 -22.04 60.44 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.235 0.614 . . . . 71.53 112.385 -176.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -77.31 -50.83 11.98 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.281 0.562 . . . . 62.22 109.841 176.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.46 ' HB2' HD21 ' A' ' 21' ' ' LEU . 48.5 mt-30 -76.17 -9.77 58.89 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.441 1.096 . . . . 63.3 112.145 177.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -42.14 -60.62 1.39 Allowed 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.756 1.222 . . . . 64.15 112.025 176.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.1 p -59.4 -34.69 55.13 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 123.483 0.713 . . . . 65.22 111.574 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.9 m -73.07 -42.02 63.48 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.686 0.795 . . . . 73.43 112.129 -174.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.409 ' HA ' HD13 ' A' ' 17' ' ' LEU . 31.3 t80 -72.25 -42.19 65.92 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.245 0.618 . . . . 74.15 110.205 179.098 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.4 mt -67.73 -30.41 69.89 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 116.092 -0.504 . . . . 74.3 110.499 176.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -67.13 -46.29 74.56 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.522 0.729 . . . . 52.14 110.475 176.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.4 p -65.07 -38.75 91.8 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 116.364 -0.38 . . . . 74.31 110.887 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.6 mt -57.63 -58.53 5.79 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 124.201 1.0 . . . . 61.03 110.947 175.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.96 -37.47 87.55 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 115.707 -0.678 . . . . 64.31 110.837 -174.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.55 HG23 ' HD3' ' A' ' 10' ' ' ARG . 6.2 t -76.33 -30.53 57.71 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-O 119.283 -0.389 . . . . 64.03 111.767 -175.15 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.1 p -75.82 -29.43 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 CA-C-N 118.446 0.566 . . . . 64.44 110.081 175.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 39.0 ttm -78.11 -23.65 47.81 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 115.728 -0.669 . . . . 50.32 110.634 177.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -84.02 -16.36 44.21 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.405 0.682 . . . . 71.32 110.601 168.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.699 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.5 OUTLIER -91.28 68.18 5.88 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 108.394 -0.965 . . . . 74.45 108.394 173.353 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.1 pm0 -76.1 118.37 18.77 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 115.379 -0.828 . . . . 75.12 109.457 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 40.2 p -95.15 140.15 22.31 Favored Pre-proline 0 C--O 1.243 0.725 0 N-CA-C 109.267 -0.642 . . . . 54.35 109.267 171.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -61.35 157.11 42.28 Favored 'Trans proline' 0 C--N 1.374 1.894 0 C-N-CA 122.805 2.337 . . . . 72.15 112.171 178.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -42.21 -48.4 6.55 Favored 'Trans proline' 0 C--N 1.383 2.372 0 C-N-CA 124.624 3.549 . . . . 75.21 114.033 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -68.37 96.59 0.42 Allowed Glycine 0 C--N 1.346 1.123 0 CA-C-N 115.538 -0.755 . . . . 40.44 112.26 176.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.4 tp -130.7 135.66 59.84 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 C-N-CA 123.958 0.903 . . . . 63.55 108.566 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 t -70.0 159.3 34.04 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 122.758 0.423 . . . . 63.42 111.734 -172.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 44.8 mtm105 -54.1 -45.71 71.9 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.89 0.876 . . . . 75.2 112.125 -175.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.2 m -58.8 -54.91 41.8 Favored 'General case' 0 C--O 1.243 0.715 0 O-C-N 123.951 0.782 . . . . 73.03 111.352 -174.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.66 HG12 HD11 ' A' ' 8' ' ' ILE . 64.4 mt -61.25 -55.15 26.47 Favored 'Isoleucine or valine' 0 C--N 1.353 0.721 0 O-C-N 123.747 0.655 . . . . 72.32 109.746 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -55.01 -35.78 64.75 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.981 0.913 . . . . 73.31 111.741 -176.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -72.33 -58.26 3.54 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.208 0.603 . . . . 54.42 110.208 -179.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 75.1 mtm -56.43 -47.78 78.38 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 124.069 0.855 . . . . 73.51 110.376 -177.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.5 t -59.06 -48.06 87.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-N 114.57 -1.195 . . . . 75.22 111.435 176.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.12 -27.8 69.19 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 122.784 0.433 . . . . 74.52 111.701 178.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.07 -51.84 26.34 Favored Glycine 0 C--N 1.346 1.126 0 N-CA-C 111.156 -0.778 . . . . 72.12 111.156 174.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -61.72 -33.02 73.28 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.702 0.801 . . . . 74.42 111.126 177.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.424 HG23 ' HE1' ' A' 1019 ' ' MET . 14.2 mt -63.17 -57.73 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.013 1.325 . . . . 72.33 109.781 177.242 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -57.7 -46.14 84.75 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 123.94 0.775 . . . . 61.21 110.001 -177.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -55.94 -56.88 15.37 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 124.185 0.928 . . . . 62.3 110.889 178.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.3 t -67.11 -26.18 66.57 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 111.924 0.342 . . . . 74.15 111.924 -172.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.659 HD11 ' SD ' ' A' 1019 ' ' MET . 81.6 mt -76.16 -34.19 59.37 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.1 0.56 . . . . 63.21 111.553 176.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -72.87 -44.68 61.05 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-O 121.268 0.556 . . . . 73.51 110.222 175.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -71.06 -27.93 63.99 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.096 -0.956 . . . . 61.1 110.771 -179.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.47 ' HA ' ' HB2' ' A' ' 78' ' ' LEU . 37.7 tt0 -78.83 -36.46 42.52 Favored 'General case' 0 C--O 1.21 -1.026 0 C-N-CA 122.693 0.397 . . . . 73.13 110.157 174.32 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -57.38 -43.05 83.28 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-O 121.383 0.611 . . . . 75.34 109.422 173.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.3 mt -72.48 -36.61 68.49 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 114.652 -1.158 . . . . 75.42 111.844 176.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.47 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 6.1 mt -68.78 -65.23 0.73 Allowed 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 123.189 0.596 . . . . 72.33 110.196 177.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.545 ' HA ' HD22 ' A' 1009 ' ' LEU . 36.1 ttpt -54.29 -36.68 63.94 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.996 1.718 . . . . 53.43 111.737 178.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.74 -50.9 38.86 Favored Glycine 0 C--N 1.348 1.223 0 O-C-N 123.673 0.608 . . . . 75.4 113.452 175.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.578 HD22 ' HB1' ' A' ' 25' ' ' ALA . 10.0 tt -61.97 -52.56 63.51 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.872 0.869 . . . . 62.15 109.96 -178.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.402 HD13 ' HE1' ' A' 1008 ' ' TRP . 41.7 mt -62.04 -39.18 91.49 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 114.401 -1.272 . . . . 74.21 111.952 -178.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -64.74 -47.11 79.44 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 110.083 -0.34 . . . . 55.1 110.083 176.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -62.52 -36.21 81.86 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.839 0.712 . . . . 74.33 110.999 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.446 ' NH1' HD11 ' A' ' 89' ' ' LEU . 3.9 tmt_? -76.81 -31.77 57.17 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 115.24 -0.891 . . . . 71.52 109.384 -177.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.578 HD11 ' HB3' ' A' 1005 ' ' LEU . 86.3 mt -75.84 -30.13 58.84 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.235 0.614 . . . . 74.21 110.628 173.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -60.79 -46.46 90.41 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 108.014 -1.106 . . . . 74.12 108.014 173.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.559 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 33.8 tt0 -60.84 -60.56 3.59 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 114.05 -1.432 . . . . 63.33 110.469 179.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.474 HD12 HD23 ' A' ' 86' ' ' LEU . 91.9 mt -49.93 -53.28 27.19 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 123.997 0.919 . . . . 72.32 111.769 -178.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.525 ' HB3' HG23 ' A' ' 96' ' ' VAL . 50.1 m -69.32 -23.35 63.78 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 115.423 -0.808 . . . . 73.3 111.643 -175.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 46.8 t -76.69 -38.87 53.67 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.083 0.553 . . . . 70.13 111.429 172.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 35.4 mt -70.89 -40.88 71.96 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-O 121.36 0.6 . . . . 74.41 110.043 -176.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 71.9 mt -84.98 -48.36 16.5 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 CA-C-N 114.694 -1.139 . . . . 71.23 110.293 -177.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -124.61 -113.3 1.99 Allowed Glycine 0 C--N 1.353 1.5 0 CA-C-O 120.333 -0.148 . . . . 63.04 112.955 -174.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -154.86 -22.48 0.12 Allowed 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.999 0.919 . . . . 73.11 112.078 -175.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.525 HG23 ' HB3' ' A' ' 90' ' ' SER . 34.4 m -72.96 167.73 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 123.261 0.624 . . . . 71.54 111.441 178.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.0 mp -137.66 -67.42 0.48 Allowed 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.532 0.733 . . . . 74.54 109.733 -177.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.421 ' O ' HD21 ' A' ' 105' ' ' LEU . 33.6 p90 -114.61 154.08 28.98 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.622 1.169 . . . . 74.54 109.965 -175.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -60.56 126.78 28.73 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.289 1.036 . . . . 74.25 112.708 -171.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -74.37 154.68 47.88 Favored Glycine 0 CA--C 1.535 1.327 0 CA-C-O 118.228 -1.318 . . . . 45.22 111.566 167.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -55.2 94.58 0.04 OUTLIER 'Trans proline' 0 C--N 1.38 2.224 0 C-N-CA 123.563 2.842 . . . . 74.21 112.53 -176.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 85.8 p 53.99 21.13 2.73 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 126.514 1.926 . . . . 73.51 113.118 -174.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -86.51 -24.59 25.49 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.956 0.902 . . . . 71.45 110.237 173.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 71.24 -156.96 53.3 Favored Glycine 0 C--N 1.354 1.536 0 CA-C-N 115.617 -0.72 . . . . 44.34 111.853 -174.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.48 HD22 ' HB ' ' A' ' 96' ' ' VAL . 93.2 mt -132.97 -81.62 0.48 Allowed 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.805 0.842 . . . . 65.33 108.858 173.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 64.7 t -112.49 104.46 55.96 Favored Pre-proline 0 CA--C 1.546 0.814 0 N-CA-C 107.663 -1.236 . . . . 55.44 107.663 173.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -67.04 160.2 48.4 Favored 'Trans proline' 0 C--N 1.374 1.916 0 C-N-CA 123.003 2.468 . . . . 70.44 112.291 178.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 33.5 ptt180 -73.88 159.47 32.78 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.759 0.823 . . . . 65.31 110.913 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 176.42 -70.7 0.08 OUTLIER Glycine 0 C--N 1.339 0.696 0 N-CA-C 110.932 -0.867 . . . . 60.01 110.932 178.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 39.1 m -143.28 151.78 40.93 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.807 0.843 . . . . 70.33 110.443 178.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 76.58 154.19 5.46 Favored Glycine 0 C--N 1.347 1.143 0 CA-C-N 115.696 -0.684 . . . . 75.12 114.06 176.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -70.48 -13.21 70.83 Favored Glycine 0 C--N 1.345 1.064 0 CA-C-O 119.492 -0.615 . . . . 60.04 113.678 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.52 HG23 ' HG3' ' A' ' 114' ' ' GLU . 6.5 tt -64.02 -58.0 9.18 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 C-N-CA 123.063 0.545 . . . . 74.12 110.324 173.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.52 ' HG3' HG23 ' A' ' 113' ' ' ILE . 79.3 mt-10 -70.88 -33.48 70.64 Favored 'General case' 0 C--O 1.247 0.93 0 C-N-CA 124.109 0.964 . . . . 75.41 110.175 -174.156 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -61.53 -59.05 10.47 Favored Glycine 0 C--N 1.35 1.321 0 CA-C-N 114.82 -1.082 . . . . 33.04 112.169 174.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 37.6 ttp -54.32 -44.02 71.69 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.131 0.972 . . . . 65.51 111.9 -179.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1002 ' ' THR . . . . . . . . . . . . . 30.7 p -65.89 -53.95 32.9 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 119.016 -0.516 . . . . 72.4 111.346 -178.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1003 ' ' THR . . . . . . . . . . . . . 98.0 m -57.26 -46.0 83.47 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-O 120.85 0.357 . . . . 64.2 111.415 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 73.1 mtt-85 -55.83 -63.5 1.16 Allowed 'General case' 0 C--N 1.345 0.406 0 CA-C-N 114.759 -1.109 . . . . 74.01 110.936 178.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . 0.578 ' HB3' HD11 ' A' ' 86' ' ' LEU . 36.8 mt -61.88 -41.79 98.29 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 123.991 0.807 . . . . 75.43 112.069 -174.15 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1006 ' ' THR . . . . . . . . . . . . . 44.2 p -61.25 -52.61 64.02 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 117.953 0.342 . . . . 62.15 110.986 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1007 ' ' ARG . . . . . . . . . . . . . 28.2 ttt180 -66.47 -26.17 67.06 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.836 0.454 . . . . 73.12 110.983 178.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1008 ' ' TRP . . . . . 0.499 ' O ' ' HG ' ' A' 1012 ' ' LEU . 0.0 OUTLIER -71.49 -36.13 71.01 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.887 0.875 . . . . 70.41 109.545 175.898 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1009 ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' 1005 ' ' LEU . 84.6 mt -73.38 -31.46 63.93 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 109.123 -0.695 . . . . 70.15 109.123 179.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 96.4 m -65.58 -44.76 85.69 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 114.607 -1.179 . . . . 54.43 110.344 172.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -71.25 -28.91 64.5 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.638 0.775 . . . . 73.2 111.097 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1012 ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' 1008 ' ' TRP . 19.0 mt -70.33 -48.65 55.51 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 115.731 -0.668 . . . . 73.23 109.319 175.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 22.1 t70 -73.7 -22.32 59.96 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.92 -0.582 . . . . 75.24 110.938 -177.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1014 ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -68.92 -43.96 74.09 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.387 -0.597 . . . . 74.14 109.387 170.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1015 ' ' PHE . . . . . . . . . . . . . 50.4 t80 -56.35 -57.76 10.87 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 123.871 0.732 . . . . 74.01 109.525 173.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1016 ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -43.7 -52.15 6.69 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.251 1.42 . . . . 61.04 112.207 176.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1017 ' ' ALA . . . . . 0.42 ' O ' ' HG ' ' A' 1021 ' ' LEU . . . -62.31 -61.67 2.29 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.631 0.773 . . . . 75.24 111.534 -178.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 18.5 mmmt -57.81 -40.85 80.94 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.065 1.346 . . . . 62.41 112.511 -177.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1019 ' ' MET . . . . . 0.659 ' SD ' HD11 ' A' ' 72' ' ' LEU . 1.3 ppp? -79.18 -30.32 43.41 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.846 -0.615 . . . . 70.33 109.653 -172.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1020 ' ' ALA . . . . . . . . . . . . . . . -66.84 -31.31 71.84 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 123.127 0.267 . . . . 71.43 110.471 169.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1021 ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' 1017 ' ' ALA . 96.1 mt -70.56 -29.95 66.54 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-O 118.379 -0.819 . . . . 54.15 111.77 175.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1022 ' ' LEU . . . . . 0.523 ' HG ' ' HA ' ' A' 1019 ' ' MET . 94.5 mt -50.41 106.37 0.63 Allowed Pre-proline 0 N--CA 1.505 2.322 0 CA-C-N 118.211 0.459 . . . . 71.22 111.252 175.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1023 ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -92.56 26.66 0.39 Allowed 'Trans proline' 0 C--N 1.381 2.253 0 C-N-CA 123.089 2.526 . . . . 65.13 113.747 -173.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -118.43 -58.66 1.96 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.704 0.802 . . . . 72.22 109.736 -177.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1025 ' ' VAL . . . . . . . . . . . . . 16.0 m . . . . . 0 C--O 1.256 1.406 0 C-N-CA 124.33 1.052 . . . . 73.14 109.667 -179.751 . . . . . . . . 0 0 . 1 stop_ save_