data_2l1o_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 2l1o _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 120.942 0.401 . . . . 0.0 110.115 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 2.1 m -112.28 155.15 24.55 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.937 1.295 . . . . 0.0 109.512 -173.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.44 -10.09 22.62 Favored 'General case' 0 C--N 1.344 0.35 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -178.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.0 p 73.77 -54.93 0.68 Allowed 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 129.489 3.116 . . . . 0.0 112.336 -171.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.86 -33.71 74.67 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 176.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.8 p -113.11 8.51 18.33 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 174.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.0 pttt 30.01 25.9 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 117.432 2.382 . . . . 0.0 117.432 -171.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.436 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -95.26 130.93 41.83 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.338 1.055 . . . . 0.0 108.864 -174.299 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -80.34 121.63 25.92 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 112.43 -2.168 . . . . 0.0 112.46 175.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.67 ' HB2' HD11 ' A' ' 21' ' ' LEU . 67.0 m-85 -119.85 157.17 29.24 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 113.024 -1.898 . . . . 0.0 110.712 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.3 mtm105 -103.45 40.33 1.43 Allowed 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 114.769 -1.105 . . . . 0.0 113.961 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.4 m -139.15 178.2 7.35 Favored 'General case' 0 N--CA 1.484 1.23 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.29 -174.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -124.16 -65.48 1.05 Allowed 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 120.802 0.334 . . . . 0.0 111.683 170.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -61.34 -37.31 82.82 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 115.161 -0.927 . . . . 0.0 113.145 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.54 -39.48 76.72 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 116.996 -1.478 . . . . 0.0 112.588 171.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.67 HD11 ' HB2' ' A' ' 15' ' ' PHE . 4.9 mp -68.78 -46.15 69.47 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 175.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.25 -51.81 39.8 Favored Glycine 0 N--CA 1.484 1.837 0 O-C-N 124.514 1.134 . . . . 0.0 111.213 175.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.98 -39.21 97.79 Favored Glycine 0 CA--C 1.539 1.547 0 CA-C-N 113.837 -1.182 . . . . 0.0 113.126 173.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.605 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.0 t60 -72.53 -34.81 67.83 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 -172.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.569 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 17.6 ttt -64.9 -41.13 95.85 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.874 1.27 . . . . 0.0 111.96 173.114 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -65.94 -31.4 72.3 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 174.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.605 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.5 OUTLIER -68.95 -14.17 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 N-CA-C 114.212 1.189 . . . . 0.0 114.212 173.742 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.569 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 9.9 m-70 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 . . . . . 0 N--CA 1.476 0.86 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.502 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 70.5 p -73.84 162.94 28.58 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 113.394 -1.73 . . . . 0.0 110.545 176.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.71 -2.92 27.3 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.6 p 68.83 -54.85 0.55 Allowed 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 128.736 2.815 . . . . 0.0 113.057 -168.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.27 -44.79 86.93 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 179.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.7 p -108.25 9.05 28.09 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 174.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 pttp 33.94 22.35 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 116.963 2.209 . . . . 0.0 116.963 -170.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.502 ' O ' ' HA ' ' A' ' 7' ' ' THR . 6.2 ttt-85 -81.11 133.36 35.46 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.862 0.865 . . . . 0.0 109.687 -174.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -78.85 111.01 14.57 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 112.684 -2.053 . . . . 0.0 111.835 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.472 ' HB2' HD12 ' A' ' 21' ' ' LEU . 89.7 m-85 -109.73 133.88 52.63 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 114.122 -1.399 . . . . 0.0 111.106 176.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.4 ttm-85 -84.99 44.46 1.08 Allowed 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 123.272 1.511 . . . . 0.0 110.362 173.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.6 m -148.89 160.69 43.02 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 114.348 -1.296 . . . . 0.0 112.782 -172.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -116.04 -68.49 0.92 Allowed 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 114.614 -1.175 . . . . 0.0 111.558 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -53.45 -49.26 67.77 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 113.391 0.885 . . . . 0.0 113.391 174.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.88 -26.99 69.05 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 114.432 -1.258 . . . . 0.0 113.631 176.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.472 HD12 ' HB2' ' A' ' 15' ' ' PHE . 5.2 tt -82.14 -52.01 7.41 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.062 0.945 . . . . 0.0 111.05 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.34 -47.25 83.94 Favored Glycine 0 N--CA 1.481 1.679 0 O-C-N 123.683 0.614 . . . . 0.0 112.212 177.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.36 -37.57 94.29 Favored Glycine 0 CA--C 1.539 1.549 0 CA-C-N 114.715 -0.743 . . . . 0.0 112.879 172.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.603 ' O ' HG12 ' A' ' 27' ' ' VAL . 1.9 t60 -72.2 -35.18 68.87 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -174.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.483 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -61.01 -42.97 99.47 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.071 1.748 . . . . 0.0 112.076 171.447 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -65.58 -36.15 82.91 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.361 0.664 . . . . 0.0 112.695 176.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.603 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.5 OUTLIER -66.56 -12.21 14.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 175.685 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.483 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 14.3 m-70 . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 176.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.437 ' HB3' HD23 ' A' ' 21' ' ' LEU . 2.6 m-85 . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.461 HG23 ' H ' ' A' ' 9' ' ' SER . 3.0 m -108.69 156.01 20.07 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.313 1.445 . . . . 0.0 109.77 -177.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.34 -8.26 23.57 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -178.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.461 ' H ' HG23 ' A' ' 7' ' ' THR . 21.4 p 72.92 -52.05 0.71 Allowed 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 129.608 3.163 . . . . 0.0 112.546 -170.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.41 -45.09 73.59 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.7 p -95.7 3.47 53.87 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 172.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.417 ' HA ' ' CG2' ' A' ' 7' ' ' THR . 8.7 ptmt 34.38 23.84 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 117.999 2.592 . . . . 0.0 117.999 -172.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.5 mtp85 -97.04 129.97 44.41 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.478 1.111 . . . . 0.0 110.437 -177.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -70.43 123.61 22.17 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 110.552 -3.022 . . . . 0.0 111.796 173.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.616 ' HB2' HD11 ' A' ' 21' ' ' LEU . 69.9 m-85 -121.27 166.7 13.64 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 113.325 -1.761 . . . . 0.0 110.245 176.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -107.28 31.62 5.25 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 -177.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.0 m -140.27 178.37 7.34 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.999 -171.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.49 -66.41 1.01 Allowed 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.325 171.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -59.46 -39.99 85.45 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.06 -37.6 66.96 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 117.676 -1.154 . . . . 0.0 112.713 172.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.616 HD11 ' HB2' ' A' ' 15' ' ' PHE . 6.4 mp -74.41 -43.65 55.41 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 176.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.16 -51.16 42.85 Favored Glycine 0 N--CA 1.481 1.664 0 O-C-N 124.454 1.097 . . . . 0.0 110.835 173.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.73 -39.46 97.51 Favored Glycine 0 CA--C 1.539 1.57 0 CA-C-N 113.673 -1.263 . . . . 0.0 113.256 173.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.603 ' O ' HG12 ' A' ' 27' ' ' VAL . 1.8 t60 -73.05 -33.53 65.73 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -172.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.542 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 1.4 tmm? -63.95 -41.51 97.56 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.588 1.555 . . . . 0.0 112.137 172.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -65.01 -33.63 76.51 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 174.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.603 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.5 OUTLIER -69.41 -9.01 11.54 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.972 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 174.622 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.542 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 11.4 m-70 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 113.855 1.058 . . . . 0.0 113.855 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.8 p -75.77 160.86 29.56 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 114.386 -1.279 . . . . 0.0 111.194 178.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.8 -4.64 24.63 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.5 p 70.28 -55.02 0.62 Allowed 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 128.697 2.799 . . . . 0.0 112.829 -169.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.29 -38.14 90.0 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 179.09 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.9 p -117.11 12.06 14.38 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 173.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.8 pttt 32.99 25.43 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 116.019 1.859 . . . . 0.0 116.019 -169.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -92.17 126.85 37.42 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.961 0.886 . . . . 0.0 110.67 -169.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -71.33 111.64 6.82 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 111.547 -2.57 . . . . 0.0 112.773 -176.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -109.72 131.85 54.68 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 113.561 -1.654 . . . . 0.0 112.52 176.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -83.61 39.43 0.68 Allowed 'General case' 0 N--CA 1.484 1.238 0 CA-C-N 114.172 -1.376 . . . . 0.0 112.458 170.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.472 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 75.1 m -136.75 137.98 40.46 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 114.588 -1.187 . . . . 0.0 111.095 -170.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.61 -78.55 0.16 Allowed 'General case' 0 N--CA 1.48 1.049 0 O-C-N 124.444 1.09 . . . . 0.0 110.498 169.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.42 -46.02 91.87 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 114.781 1.401 . . . . 0.0 114.781 178.332 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.472 ' HB3' ' HB3' ' A' ' 17' ' ' SER . . . -68.0 -0.14 4.12 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 176.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.6 tt -100.35 -54.21 2.92 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.629 0.772 . . . . 0.0 109.778 166.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.84 -48.18 67.96 Favored Glycine 0 N--CA 1.484 1.873 0 O-C-N 123.661 0.601 . . . . 0.0 112.644 177.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.67 -37.63 95.02 Favored Glycine 0 CA--C 1.537 1.443 0 CA-C-N 114.203 -0.999 . . . . 0.0 112.474 172.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.598 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.2 t60 -70.11 -35.18 73.95 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -178.364 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.492 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -61.84 -44.32 97.07 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.183 1.793 . . . . 0.0 111.828 171.872 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -65.78 -32.11 73.47 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 175.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.598 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.8 OUTLIER -68.18 -11.29 14.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 174.064 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.492 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 14.3 m-70 . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 177.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 . . . . . 0 N--CA 1.475 0.798 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.638 HG23 ' H ' ' A' ' 9' ' ' SER . 7.0 m -96.22 154.74 17.09 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.575 1.55 . . . . 0.0 109.991 -175.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.95 -13.81 16.76 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -178.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.638 ' H ' HG23 ' A' ' 7' ' ' THR . 20.9 p 74.03 -52.97 0.69 Allowed 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 129.419 3.087 . . . . 0.0 112.594 -171.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.24 -36.06 80.86 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 177.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.3 p -117.9 14.04 14.13 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 172.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 29.38 23.86 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 118.493 2.775 . . . . 0.0 118.493 -169.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.46 ' O ' ' HA ' ' A' ' 7' ' ' THR . 7.6 mtp-105 -85.13 140.76 30.7 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.846 1.258 . . . . 0.0 111.626 -178.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -88.61 115.84 26.43 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 111.346 -2.661 . . . . 0.0 110.957 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.776 ' HB2' HD12 ' A' ' 21' ' ' LEU . 47.6 m-85 -110.3 132.87 53.79 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 112.988 -1.915 . . . . 0.0 109.975 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.18 48.88 1.64 Allowed 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 113.271 -1.786 . . . . 0.0 109.191 174.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.413 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 30.4 m -156.2 158.74 38.12 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 114.335 -1.302 . . . . 0.0 112.46 -169.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.91 -69.41 0.86 Allowed 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 114.103 -1.408 . . . . 0.0 111.498 177.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -58.51 -52.75 64.33 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.915 0.886 . . . . 0.0 111.758 177.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.413 ' HB3' ' HB3' ' A' ' 17' ' ' SER . . . -54.16 -30.88 50.9 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 174.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.776 HD12 ' HB2' ' A' ' 15' ' ' PHE . 5.9 tt -81.14 -51.03 8.89 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.991 0.917 . . . . 0.0 112.046 177.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.53 -46.28 58.72 Favored Glycine 0 N--CA 1.483 1.796 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 176.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.05 -37.64 95.27 Favored Glycine 0 CA--C 1.539 1.57 0 CA-C-N 113.927 -1.137 . . . . 0.0 112.834 170.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.646 ' O ' HG12 ' A' ' 27' ' ' VAL . 1.7 t60 -72.05 -35.62 69.37 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -171.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.466 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -61.33 -43.92 98.06 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 126.16 1.784 . . . . 0.0 111.747 172.657 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -65.34 -34.46 78.39 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 176.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.646 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -62.63 -16.4 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 175.077 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.466 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 17.3 m-70 . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 178.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.409 ' HB2' HD13 ' A' ' 21' ' ' LEU . 91.0 m-85 . . . . . 0 N--CA 1.475 0.788 0 CA-C-O 121.69 0.757 . . . . 0.0 112.48 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.662 HG23 ' H ' ' A' ' 9' ' ' SER . 92.4 m -90.49 151.51 21.34 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 113.644 -1.616 . . . . 0.0 109.955 177.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.77 -15.22 18.53 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -177.17 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.662 ' H ' HG23 ' A' ' 7' ' ' THR 0.27 16.4 p 77.29 -56.03 0.53 Allowed 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 128.623 2.769 . . . . 0.0 111.905 -172.335 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -59.88 -39.73 86.27 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 175.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 26.3 p -106.98 6.69 29.36 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 118.442 -1.303 . . . . 0.0 108.311 176.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.541 ' HA ' HG21 ' A' ' 7' ' ' THR . 0.0 OUTLIER 33.01 23.34 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 117.626 2.454 . . . . 0.0 117.626 -169.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.4 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 8.3 mtp85 -98.91 141.88 31.12 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 114.337 -1.301 . . . . 0.0 110.974 -175.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -91.94 117.08 29.47 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 111.455 -2.612 . . . . 0.0 110.744 -176.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.853 ' HB2' HD12 ' A' ' 21' ' ' LEU . 3.5 m-85 -106.4 134.77 49.02 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 113.967 -1.469 . . . . 0.0 111.056 177.036 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.566 ' H ' ' HD3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -81.02 40.14 0.53 Allowed 'General case' 0 N--CA 1.482 1.137 0 CA-C-O 123.786 1.755 . . . . 0.0 112.002 170.373 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.513 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 41.6 m -139.28 158.92 43.32 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 113.701 -1.59 . . . . 0.0 111.631 -171.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -114.66 -73.47 0.65 Allowed 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 114.405 -1.271 . . . . 0.0 111.216 174.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.96 -41.68 98.27 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.513 ' HB3' ' HB3' ' A' ' 17' ' ' SER . . . -58.42 -36.05 73.0 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 118.368 -0.825 . . . . 0.0 113.027 173.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.853 HD12 ' HB2' ' A' ' 15' ' ' PHE . 6.0 tt -75.2 -48.57 22.87 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.523 0.729 . . . . 0.0 112.227 179.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.97 -48.44 58.03 Favored Glycine 0 N--CA 1.483 1.823 0 O-C-N 124.034 0.834 . . . . 0.0 111.487 174.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.34 -35.68 91.99 Favored Glycine 0 CA--C 1.539 1.567 0 CA-C-N 113.844 -1.178 . . . . 0.0 113.28 171.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.635 ' O ' HG12 ' A' ' 27' ' ' VAL . 1.8 t60 -72.39 -35.95 68.56 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -172.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.485 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 9.9 ttt -62.49 -42.61 99.61 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.981 1.313 . . . . 0.0 111.843 172.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -63.22 -36.07 82.44 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 174.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.635 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.4 OUTLIER -65.53 -15.32 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 176.034 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.485 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 8.9 m-70 . . . . . 0 N--CA 1.454 -0.239 0 C-N-CA 123.048 0.539 . . . . 0.0 109.583 178.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 . . . . . 0 N--CA 1.479 1.011 0 CA-C-O 120.569 0.223 . . . . 0.0 111.357 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.588 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 74.8 p -98.32 161.7 13.56 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 125.085 1.354 . . . . 0.0 111.366 177.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.416 ' HA ' HD22 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -97.33 -6.52 34.09 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -175.72 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.2 p 68.95 -54.5 0.56 Allowed 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 128.786 2.834 . . . . 0.0 112.934 -168.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.38 -36.81 84.94 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 178.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.2 p -116.77 8.54 13.7 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 173.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.7 pttt 36.17 16.67 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 117.21 2.3 . . . . 0.0 117.21 -170.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.588 ' O ' ' HA ' ' A' ' 7' ' ' THR . 2.4 tpp180 -77.19 136.82 38.59 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.22 1.008 . . . . 0.0 110.172 -173.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -75.79 121.54 22.74 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 113.415 -1.72 . . . . 0.0 112.272 173.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.649 ' HB2' HD12 ' A' ' 21' ' ' LEU . 75.3 m-85 -115.61 160.69 19.68 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-N 112.901 -1.954 . . . . 0.0 109.965 175.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.4 mtt85 -115.23 35.59 4.29 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 114.891 -1.05 . . . . 0.0 113.498 -177.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.525 ' OG ' ' HB3' ' A' ' 20' ' ' ALA . 16.9 p -169.23 139.58 2.23 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 115.179 -0.919 . . . . 0.0 113.368 -176.004 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.11 -55.65 15.39 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 113.91 -1.495 . . . . 0.0 114.047 -179.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -68.87 -46.98 67.04 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 -178.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.525 ' HB3' ' OG ' ' A' ' 17' ' ' SER . . . -66.7 -4.19 8.36 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 174.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.649 HD12 ' HB2' ' A' ' 15' ' ' PHE . 3.7 tt -99.31 -51.51 3.78 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 118.613 -0.708 . . . . 0.0 111.867 166.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.95 -47.48 72.31 Favored Glycine 0 N--CA 1.484 1.869 0 O-C-N 123.424 0.453 . . . . 0.0 112.258 176.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.81 -39.31 96.5 Favored Glycine 0 CA--C 1.536 1.381 0 CA-C-N 113.988 -1.106 . . . . 0.0 112.551 172.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.614 ' O ' HG12 ' A' ' 27' ' ' VAL . 3.2 t60 -70.69 -34.28 71.81 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 117.382 0.591 . . . . 0.0 109.595 -177.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.493 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 0.6 OUTLIER -63.95 -44.78 91.79 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.098 0.959 . . . . 0.0 111.918 172.047 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -63.86 -33.13 75.0 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 176.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.614 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -67.19 -11.65 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 173.521 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.493 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 15.7 m-70 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 175.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 . . . . . 0 N--CA 1.476 0.863 0 CA-C-O 121.775 0.798 . . . . 0.0 112.769 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.662 HG23 ' H ' ' A' ' 9' ' ' SER . 90.4 m -88.16 153.66 21.07 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 113.362 -1.745 . . . . 0.0 110.603 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.98 -14.89 17.68 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 -177.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.662 ' H ' HG23 ' A' ' 7' ' ' THR . 22.7 p 75.97 -53.22 0.62 Allowed 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 129.753 3.221 . . . . 0.0 111.976 -172.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.41 -35.55 80.78 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 113.936 -1.483 . . . . 0.0 114.857 177.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 13' ' ' ARG . 31.3 p -114.21 10.65 17.32 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 173.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.552 ' HA ' HG21 ' A' ' 7' ' ' THR . 10.5 pttp 32.67 18.45 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 118.339 2.718 . . . . 0.0 118.339 -169.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.456 ' O ' ' HA ' ' A' ' 7' ' ' THR . 31.4 ttm-85 -91.89 140.22 29.89 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.4 1.08 . . . . 0.0 109.976 -172.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -86.51 119.34 26.66 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 111.41 -2.632 . . . . 0.0 112.048 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.717 ' HB2' HD12 ' A' ' 21' ' ' LEU . 83.2 m-85 -113.73 131.28 56.24 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 113.24 -1.8 . . . . 0.0 110.73 177.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -75.43 31.69 0.1 Allowed 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 114.626 -1.17 . . . . 0.0 112.893 169.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.432 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 19.9 m -133.97 158.52 43.3 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.391 1.076 . . . . 0.0 112.069 -169.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.42 -67.92 0.96 Allowed 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 114.084 -1.416 . . . . 0.0 111.345 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -58.32 -52.55 65.12 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.833 0.853 . . . . 0.0 111.632 177.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.432 ' HB3' ' HB3' ' A' ' 17' ' ' SER . . . -55.48 -31.57 62.11 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 175.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.717 HD12 ' HB2' ' A' ' 15' ' ' PHE . 5.8 tt -80.28 -50.61 9.97 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.83 0.852 . . . . 0.0 112.047 179.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.1 -46.73 69.45 Favored Glycine 0 N--CA 1.484 1.852 0 O-C-N 123.886 0.741 . . . . 0.0 111.508 176.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.51 -37.62 94.99 Favored Glycine 0 CA--C 1.54 1.637 0 CA-C-N 113.922 -1.139 . . . . 0.0 112.74 171.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.65 ' O ' HG12 ' A' ' 27' ' ' VAL . 1.6 t60 -72.1 -36.62 69.52 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -172.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.424 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -59.45 -43.54 93.15 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.414 1.885 . . . . 0.0 111.264 172.301 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -65.91 -37.2 85.46 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 177.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.65 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -61.4 -17.23 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 114.236 1.199 . . . . 0.0 114.236 175.8 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.424 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 14.8 m-70 . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.467 ' O ' ' HA ' ' A' ' 14' ' ' GLU . 79.4 m-85 . . . . . 0 N--CA 1.474 0.751 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.571 HG23 ' H ' ' A' ' 9' ' ' SER . 8.1 m -104.72 154.34 20.12 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 125.95 1.7 . . . . 0.0 109.863 -176.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.23 -14.47 18.46 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -176.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.571 ' H ' HG23 ' A' ' 7' ' ' THR . 20.0 p 75.52 -53.03 0.65 Allowed 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 129.441 3.097 . . . . 0.0 112.337 -172.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.39 -31.9 73.29 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 177.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.0 p -115.26 9.36 15.71 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 173.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 pttp 31.34 25.42 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 117.519 2.414 . . . . 0.0 117.519 -171.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 ttm-85 -105.07 140.13 38.71 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.976 0.894 . . . . 0.0 110.329 -172.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.467 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -80.07 123.89 28.26 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 112.924 -1.944 . . . . 0.0 112.821 178.258 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -114.02 154.11 28.23 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 113.035 -1.893 . . . . 0.0 111.648 176.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -109.27 46.15 1.01 Allowed 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 114.713 -1.13 . . . . 0.0 113.907 -174.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.629 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 21.1 p -174.42 140.81 0.66 Allowed 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 115.17 -0.923 . . . . 0.0 113.083 -177.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.87 -55.81 11.48 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 114.789 -1.096 . . . . 0.0 112.954 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -48.07 64.0 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.516 ' HB3' ' OG ' ' A' ' 17' ' ' SER . . . -71.71 4.44 3.22 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 174.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.629 ' HB2' ' O ' ' A' ' 17' ' ' SER . 0.4 OUTLIER -101.86 -53.14 3.02 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.885 0.874 . . . . 0.0 111.421 163.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.19 -46.93 84.69 Favored Glycine 0 N--CA 1.483 1.794 0 O-C-N 123.512 0.508 . . . . 0.0 112.546 176.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.15 -38.88 95.78 Favored Glycine 0 CA--C 1.537 1.416 0 CA-C-N 114.233 -0.983 . . . . 0.0 112.454 172.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.612 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.3 t60 -69.76 -36.34 75.69 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 117.479 0.64 . . . . 0.0 109.622 -177.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.46 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -59.67 -45.35 92.33 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.597 1.959 . . . . 0.0 111.381 172.345 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -66.05 -31.19 71.93 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 176.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.612 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.5 OUTLIER -69.84 -8.48 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 173.44 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.46 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 10.6 m-70 . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 176.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.475 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 41.5 p -71.0 159.97 33.78 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 113.533 -1.667 . . . . 0.0 110.805 174.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -104.34 -5.3 21.89 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -177.186 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.0 p 69.84 -54.73 0.6 Allowed 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 128.655 2.782 . . . . 0.0 112.491 -169.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.07 -38.92 84.28 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.505 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 4.4 p -119.29 12.54 12.57 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 174.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 28.13 29.12 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 117.235 2.309 . . . . 0.0 117.235 -168.079 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.505 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -80.86 120.75 25.1 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.842 1.657 . . . . 0.0 110.791 -177.453 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -74.34 111.73 9.8 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 112.819 -1.991 . . . . 0.0 111.634 177.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.582 ' CG ' HD21 ' A' ' 21' ' ' LEU . 7.4 m-85 -110.34 132.1 54.48 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 114.592 -1.185 . . . . 0.0 113.547 176.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -77.86 47.36 0.63 Allowed 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 123.566 1.65 . . . . 0.0 112.047 169.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.2 m -153.03 158.36 41.87 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 113.727 -1.579 . . . . 0.0 111.803 -171.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -114.71 -71.76 0.73 Allowed 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 113.748 -1.569 . . . . 0.0 110.879 174.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -63.88 -42.58 97.45 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 -178.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.76 -40.33 79.5 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 173.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.582 HD21 ' CG ' ' A' ' 15' ' ' PHE . 3.1 tm? -72.0 -42.84 65.96 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.767 0.827 . . . . 0.0 112.241 176.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.63 -48.92 68.07 Favored Glycine 0 N--CA 1.482 1.736 0 C-N-CA 123.606 0.622 . . . . 0.0 112.474 174.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.59 -37.65 94.54 Favored Glycine 0 CA--C 1.54 1.596 0 CA-C-N 114.917 -0.642 . . . . 0.0 112.984 172.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.6 ' O ' HG12 ' A' ' 27' ' ' VAL . 3.3 t60 -71.93 -35.69 69.72 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.094 0.558 . . . . 0.0 109.615 -174.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.466 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -61.77 -45.16 95.1 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.173 1.789 . . . . 0.0 111.656 171.678 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -63.31 -39.17 93.81 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 176.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.6 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.5 OUTLIER -63.76 -7.97 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 176.466 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.466 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 12.6 m-70 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 175.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.439 ' HB ' ' HA ' ' A' ' 12' ' ' LYS . 79.4 p -78.74 162.97 25.78 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 114.224 -1.353 . . . . 0.0 110.832 176.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.44 -4.15 29.5 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -178.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.265 17.1 p 67.81 -58.91 0.43 Allowed 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 127.434 2.294 . . . . 0.0 112.788 -167.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -58.95 -42.47 89.9 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.868 1.432 . . . . 0.0 114.868 176.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.5 p -116.02 12.66 15.71 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.439 ' HA ' ' HB ' ' A' ' 7' ' ' THR . 0.0 OUTLIER 28.63 26.94 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 118.131 2.641 . . . . 0.0 118.131 -169.56 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.5 ttm-85 -83.42 131.65 35.02 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 121.985 0.898 . . . . 0.0 110.028 -176.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -72.26 110.91 7.03 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 112.031 -2.349 . . . . 0.0 112.641 175.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -105.18 131.77 52.24 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 112.718 -2.037 . . . . 0.0 111.013 173.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.03 24.78 0.89 Allowed 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 113.118 -1.856 . . . . 0.0 113.217 176.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.481 ' OG ' ' HB3' ' A' ' 20' ' ' ALA . 34.7 p -160.5 133.6 6.62 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-O 122.566 1.174 . . . . 0.0 113.792 -167.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.0 -66.97 0.46 Allowed 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 112.568 -2.105 . . . . 0.0 114.105 -178.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -64.17 -42.06 96.86 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 114.225 1.195 . . . . 0.0 114.225 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.481 ' HB3' ' OG ' ' A' ' 17' ' ' SER . . . -68.89 -6.42 27.14 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 174.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.475 ' HB2' ' O ' ' A' ' 17' ' ' SER . 2.7 tt -94.52 -52.87 4.12 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 118.61 -0.709 . . . . 0.0 110.642 166.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.32 -49.14 70.33 Favored Glycine 0 N--CA 1.485 1.938 0 O-C-N 123.436 0.46 . . . . 0.0 113.4 177.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.9 -39.31 97.88 Favored Glycine 0 CA--C 1.536 1.384 0 CA-C-N 114.191 -1.005 . . . . 0.0 111.84 173.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.628 ' O ' HG12 ' A' ' 27' ' ' VAL . 4.6 t60 -72.4 -37.13 68.76 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 -176.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.523 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -62.82 -42.4 99.71 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.864 1.666 . . . . 0.0 112.1 172.728 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -66.2 -34.25 77.59 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 175.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.628 HG12 ' O ' ' A' ' 24' ' ' HIS 0.251 0.5 OUTLIER -64.38 -15.09 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 172.632 . . . . . . . . 4 4 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.523 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 10.3 m-70 . . . . . 0 C--N 1.343 0.296 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.423 ' O ' ' HA ' ' A' ' 14' ' ' GLU . 99.6 m-85 . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 121.079 0.466 . . . . 0.0 112.024 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.607 HG23 ' H ' ' A' ' 9' ' ' SER . 16.4 m -102.92 157.71 16.78 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.414 1.486 . . . . 0.0 109.687 -177.175 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.14 -10.8 18.53 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -176.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.607 ' H ' HG23 ' A' ' 7' ' ' THR . 18.2 p 74.09 -53.0 0.69 Allowed 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 129.438 3.095 . . . . 0.0 112.373 -171.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.34 -43.97 89.22 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 178.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.8 p -98.99 5.96 46.92 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 119.128 -1.029 . . . . 0.0 108.257 173.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 32.12 25.47 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 118.038 2.607 . . . . 0.0 118.038 -170.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.535 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -97.16 145.3 26.15 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 114.099 -1.409 . . . . 0.0 110.052 -177.051 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.423 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 4.4 mt-10 -100.18 125.79 46.37 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 113.066 -1.879 . . . . 0.0 110.851 -178.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.621 ' HB2' HD11 ' A' ' 21' ' ' LEU . 26.1 m-85 -124.02 160.51 27.49 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 112.689 -2.05 . . . . 0.0 111.146 -176.05 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.29 61.21 0.6 Allowed 'General case' 0 N--CA 1.489 1.486 0 CA-C-O 122.685 1.231 . . . . 0.0 113.69 -178.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.505 ' O ' HD13 ' A' ' 21' ' ' LEU . 58.5 m -159.36 164.14 34.98 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -178.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -118.35 7.18 11.92 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 115.621 1.711 . . . . 0.0 115.621 174.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -130.69 -51.79 1.06 Allowed 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.119 0.968 . . . . 0.0 112.63 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -47.09 -42.26 18.64 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 117.675 -1.155 . . . . 0.0 112.713 171.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.621 HD11 ' HB2' ' A' ' 15' ' ' PHE . 5.9 mp -65.4 -50.01 67.09 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 176.146 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.54 -49.39 65.21 Favored Glycine 0 N--CA 1.481 1.673 0 O-C-N 124.076 0.86 . . . . 0.0 111.274 178.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.23 -39.59 97.9 Favored Glycine 0 CA--C 1.538 1.522 0 CA-C-N 113.717 -1.242 . . . . 0.0 112.624 172.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.622 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.3 t60 -72.54 -35.19 67.99 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -173.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.554 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 14.3 ttp -66.09 -39.66 90.18 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.099 1.36 . . . . 0.0 112.372 173.321 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -62.96 -39.43 94.66 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.991 174.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.4 OUTLIER -63.66 -14.54 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 176.13 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.554 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 9.3 m-70 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 176.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 N--CA 1.476 0.852 0 CA-C-O 122.03 0.919 . . . . 0.0 112.943 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.637 HG23 ' HA ' ' A' ' 12' ' ' LYS . 0.8 OUTLIER -110.91 155.55 22.48 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 112.921 -1.945 . . . . 0.0 108.163 -169.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.64 -13.4 20.35 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -177.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.263 17.7 p 74.39 -56.28 0.64 Allowed 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 128.576 2.75 . . . . 0.0 112.238 -171.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -59.67 -38.51 81.68 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 175.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.6 p -114.25 10.54 17.24 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 118.991 -1.084 . . . . 0.0 108.27 176.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.637 ' HA ' HG23 ' A' ' 7' ' ' THR . 0.2 OUTLIER 27.7 29.75 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 118.609 2.818 . . . . 0.0 118.609 -170.414 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.5 ttm-85 -93.17 133.85 35.94 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 -176.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -80.21 122.52 26.95 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 112.824 -1.989 . . . . 0.0 111.376 176.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -114.1 160.38 18.99 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 112.723 -2.035 . . . . 0.0 111.913 175.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -97.61 26.32 5.1 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-N 113.051 -1.886 . . . . 0.0 114.894 -174.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.1 p -176.96 136.99 0.22 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -175.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.85 -49.06 72.03 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 113.514 -1.675 . . . . 0.0 114.153 -176.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -68.61 -38.84 80.89 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.54 -37.44 70.5 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 117.752 -1.118 . . . . 0.0 111.116 171.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.7 mt -70.69 -47.36 60.27 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 171.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.85 -47.14 48.22 Favored Glycine 0 N--CA 1.483 1.799 0 O-C-N 123.929 0.768 . . . . 0.0 112.201 175.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.06 -43.22 73.61 Favored Glycine 0 CA--C 1.538 1.478 0 CA-C-N 114.226 -0.987 . . . . 0.0 113.733 173.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.61 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.9 t60 -71.74 -35.24 70.07 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -172.059 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.5 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -63.34 -45.3 91.88 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 126.48 1.912 . . . . 0.0 111.029 172.608 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -65.56 -26.99 68.11 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 174.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.61 HG12 ' O ' ' A' ' 24' ' ' HIS 0.259 0.4 OUTLIER -72.5 -12.13 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 172.413 . . . . . . . . 4 4 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.5 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 8.8 m-70 . . . . . 0 N--CA 1.453 -0.323 0 C-N-CA 123.685 0.794 . . . . 0.0 109.663 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.408 ' HB2' ' CD1' ' A' ' 21' ' ' LEU . 92.4 m-85 . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 121.619 0.724 . . . . 0.0 112.467 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.622 HG23 ' H ' ' A' ' 9' ' ' SER . 8.4 m -100.17 154.94 18.04 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 113.295 -1.775 . . . . 0.0 109.433 -175.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.68 -12.4 19.19 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -177.208 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.622 ' H ' HG23 ' A' ' 7' ' ' THR . 22.2 p 73.56 -53.06 0.7 Allowed 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 129.492 3.117 . . . . 0.0 112.449 -171.222 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.47 -37.38 87.09 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 177.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.8 p -108.81 9.49 26.81 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 173.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 29.71 27.48 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 118.115 2.635 . . . . 0.0 118.115 -171.052 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.413 ' O ' ' HA ' ' A' ' 7' ' ' THR . 1.5 mtp-105 -102.93 148.83 25.17 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.141 1.376 . . . . 0.0 110.796 -174.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -95.33 121.31 36.86 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 112.578 -2.101 . . . . 0.0 113.158 -177.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -111.0 162.1 15.19 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 112.052 -2.34 . . . . 0.0 112.075 178.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -111.27 40.85 1.98 Allowed 'General case' 0 N--CA 1.484 1.243 0 CA-C-N 113.468 -1.696 . . . . 0.0 114.772 -176.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.558 ' OG ' ' HB3' ' A' ' 20' ' ' ALA . 15.0 p -176.76 137.37 0.25 Allowed 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 -178.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.24 -54.27 31.89 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 114.137 -1.392 . . . . 0.0 113.751 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -68.1 -43.64 77.99 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -178.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.558 ' HB3' ' OG ' ' A' ' 17' ' ' SER . . . -69.81 -2.12 11.24 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 173.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.408 ' CD1' ' HB2' ' A' ' 6' ' ' TYR . 6.1 mt -93.22 -50.39 5.51 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 158.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.29 -49.59 55.84 Favored Glycine 0 N--CA 1.484 1.889 0 O-C-N 123.843 0.714 . . . . 0.0 112.072 176.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.23 -39.76 96.27 Favored Glycine 0 CA--C 1.537 1.455 0 CA-C-N 113.877 -1.162 . . . . 0.0 112.784 173.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.626 ' O ' HG12 ' A' ' 27' ' ' VAL . 3.0 t60 -70.25 -35.65 73.93 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -175.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.574 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 21.1 ttm -63.94 -41.09 97.71 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.365 1.466 . . . . 0.0 112.066 173.041 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -60.82 -40.0 91.13 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 173.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.626 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -64.7 -10.53 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 176.506 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.574 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 7.3 m-70 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 177.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 121.82 0.819 . . . . 0.0 111.616 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.603 HG23 ' H ' ' A' ' 9' ' ' SER . 8.1 m -86.58 155.62 20.38 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 125.907 1.683 . . . . 0.0 109.715 -176.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.93 -8.93 19.29 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -177.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.603 ' H ' HG23 ' A' ' 7' ' ' THR . 18.9 p 73.92 -54.18 0.68 Allowed 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 129.219 3.008 . . . . 0.0 112.246 -171.066 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.74 -46.97 76.86 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 178.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.9 p -96.98 7.81 45.84 Favored 'General case' 0 C--N 1.343 0.324 0 C-N-CA 118.9 -1.12 . . . . 0.0 108.305 174.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.0 pttt 34.33 20.31 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 117.034 2.235 . . . . 0.0 117.034 -170.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' A' ' 7' ' ' THR . 3.1 ttm-85 -95.26 136.34 35.73 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.68 0.752 . . . . 0.0 109.689 -172.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -84.05 120.88 26.67 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 112.855 -1.975 . . . . 0.0 110.385 178.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.585 ' HB2' HD11 ' A' ' 21' ' ' LEU . 81.6 m-85 -116.76 144.2 44.75 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 114.434 -1.257 . . . . 0.0 112.256 178.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.5 ttp85 -85.67 38.11 0.73 Allowed 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 113.883 -1.508 . . . . 0.0 113.578 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.5 m -149.1 177.19 9.82 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.101 -178.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -122.38 -63.79 1.25 Allowed 'General case' 0 N--CA 1.481 1.08 0 O-C-N 124.023 0.827 . . . . 0.0 112.658 175.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -60.16 -36.54 77.79 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 178.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.41 -34.57 64.51 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 118.373 -0.822 . . . . 0.0 112.345 170.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.585 HD11 ' HB2' ' A' ' 15' ' ' PHE . 8.3 mp -80.31 -44.86 18.83 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.722 1.209 . . . . 0.0 113.252 -178.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.63 -51.9 36.24 Favored Glycine 0 N--CA 1.484 1.848 0 O-C-N 124.496 1.122 . . . . 0.0 110.892 173.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.49 -39.46 97.71 Favored Glycine 0 CA--C 1.54 1.632 0 CA-C-N 113.557 -1.322 . . . . 0.0 113.311 173.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.633 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.1 t60 -73.49 -37.5 65.69 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -173.104 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.611 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 8.9 ttp -65.58 -38.54 89.82 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.72 1.208 . . . . 0.0 111.506 173.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -61.74 -32.62 72.87 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 171.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.633 HG12 ' O ' ' A' ' 24' ' ' HIS 0.264 0.3 OUTLIER -67.6 -15.68 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 174.901 . . . . . . . . 4 4 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.611 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 8.1 m-70 . . . . . 0 N--CA 1.452 -0.332 0 C-N-CA 123.479 0.712 . . . . 0.0 109.618 -178.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.435 ' O ' ' HA ' ' A' ' 14' ' ' GLU . 57.8 m-85 . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 122.111 0.958 . . . . 0.0 112.392 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.497 HG23 ' HA ' ' A' ' 12' ' ' LYS . 2.2 m -101.49 152.35 20.87 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 112.794 -2.003 . . . . 0.0 108.284 -174.14 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.36 -11.46 27.72 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 -177.207 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.9 p 73.71 -53.14 0.69 Allowed 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 129.478 3.111 . . . . 0.0 112.294 -171.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.58 -42.29 95.71 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 177.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 32.1 p -108.81 10.86 26.54 Favored 'General case' 0 C--N 1.342 0.276 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 173.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.497 ' HA ' HG23 ' A' ' 7' ' ' THR . 23.7 pttt 32.55 26.89 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 117.598 2.444 . . . . 0.0 117.598 -172.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -101.08 137.25 39.7 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.591 0.756 . . . . 0.0 109.999 -172.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 1.8 mt-10 -82.8 122.69 28.53 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 112.932 -1.94 . . . . 0.0 114.0 -178.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.424 ' HB2' HD12 ' A' ' 21' ' ' LEU . 11.5 m-85 -110.89 155.41 22.66 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 111.44 -2.618 . . . . 0.0 111.268 178.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.65 38.35 2.18 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-N 114.328 -1.305 . . . . 0.0 113.044 -178.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.501 ' OG ' ' HB3' ' A' ' 20' ' ' ALA . 30.5 p -169.65 139.18 1.98 Allowed 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 115.295 -0.866 . . . . 0.0 113.187 -174.074 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.47 -58.15 4.34 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 114.427 -1.261 . . . . 0.0 113.396 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.93 -48.21 77.46 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.501 ' HB3' ' OG ' ' A' ' 17' ' ' SER . . . -71.38 2.52 4.77 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 174.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.491 ' HB2' ' O ' ' A' ' 17' ' ' SER . 3.1 tt -101.07 -51.11 3.61 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.303 0.641 . . . . 0.0 110.87 165.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.46 -48.49 75.74 Favored Glycine 0 N--CA 1.484 1.887 0 O-C-N 123.473 0.483 . . . . 0.0 112.373 175.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.82 -38.31 95.95 Favored Glycine 0 CA--C 1.537 1.451 0 CA-C-N 114.366 -0.917 . . . . 0.0 112.48 173.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.61 ' O ' HG12 ' A' ' 27' ' ' VAL . 3.5 t60 -69.67 -36.37 75.97 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -178.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.555 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 2.7 ttp -64.55 -39.32 93.53 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.801 1.24 . . . . 0.0 112.355 172.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -64.54 -35.73 81.93 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 174.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.61 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.5 OUTLIER -68.08 -9.03 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 174.12 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.555 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 8.3 m-70 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 176.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.562 HG21 ' HA ' ' A' ' 12' ' ' LYS . 32.2 m -86.8 151.22 23.55 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 113.247 -1.797 . . . . 0.0 110.307 176.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.8 -13.96 18.21 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 114.894 -1.048 . . . . 0.0 108.374 -175.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.561 ' H ' HG23 ' A' ' 7' ' ' THR . 21.3 p 76.25 -52.49 0.61 Allowed 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 129.935 3.294 . . . . 0.0 111.967 -172.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.82 -37.21 85.62 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 178.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.7 p -108.02 5.68 26.35 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 171.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.562 ' HA ' HG21 ' A' ' 7' ' ' THR . 12.5 ptmt 34.63 22.87 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 117.74 2.496 . . . . 0.0 117.74 -170.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.69 135.42 41.13 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 114.437 -1.256 . . . . 0.0 110.296 -172.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -83.41 118.68 23.89 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 111.429 -2.623 . . . . 0.0 110.535 -178.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.514 ' HB2' HD11 ' A' ' 21' ' ' LEU . 72.7 m-85 -115.3 140.83 48.77 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 113.909 -1.496 . . . . 0.0 112.044 178.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.5 ttp180 -86.88 46.72 1.4 Allowed 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 113.692 -1.595 . . . . 0.0 112.526 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.8 m -155.56 -178.89 7.6 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.948 -179.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -126.87 -61.81 1.15 Allowed 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.641 175.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -60.04 -41.14 91.64 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.3 -29.83 58.99 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 114.978 -1.01 . . . . 0.0 113.201 171.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.514 HD11 ' HB2' ' A' ' 15' ' ' PHE . 8.3 mp -85.46 -44.98 12.26 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.664 1.186 . . . . 0.0 113.388 -177.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.1 -49.82 48.08 Favored Glycine 0 N--CA 1.482 1.741 0 O-C-N 124.48 1.113 . . . . 0.0 110.77 172.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.32 -40.89 99.48 Favored Glycine 0 CA--C 1.539 1.588 0 CA-C-N 113.574 -1.313 . . . . 0.0 113.322 172.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.631 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.2 t60 -72.82 -36.78 67.59 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -172.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.557 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 1.4 tmm? -64.52 -37.67 88.36 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.412 1.485 . . . . 0.0 111.97 173.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -65.78 -35.07 79.66 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 174.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.631 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.4 OUTLIER -67.11 -12.74 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 N-CA-C 114.552 1.316 . . . . 0.0 114.552 174.02 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.557 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 8.5 m-70 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 177.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 . . . . . 0 N--CA 1.474 0.737 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.666 HG23 ' H ' ' A' ' 9' ' ' SER . 96.9 m -81.14 151.08 28.43 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 113.938 -1.483 . . . . 0.0 111.323 175.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.67 -15.78 18.42 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -177.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.666 ' H ' HG23 ' A' ' 7' ' ' THR 0.265 16.0 p 76.25 -56.55 0.57 Allowed 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 128.665 2.786 . . . . 0.0 112.146 -172.065 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -57.86 -37.79 74.54 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.714 1.375 . . . . 0.0 114.714 175.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.0 p -113.84 12.66 18.26 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 118.46 -1.296 . . . . 0.0 108.265 177.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.514 ' HA ' HG21 ' A' ' 7' ' ' THR . 0.0 OUTLIER 32.43 23.13 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 117.876 2.547 . . . . 0.0 117.876 -171.563 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.499 ' O ' ' HA ' ' A' ' 7' ' ' THR . 2.9 mtp-105 -99.03 146.57 25.91 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.731 1.213 . . . . 0.0 112.032 -173.187 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -89.12 115.64 26.79 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 112.297 -2.229 . . . . 0.0 111.546 -178.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.747 ' HB2' HD12 ' A' ' 21' ' ' LEU . 24.7 m-85 -106.45 138.2 43.07 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 114.019 -1.446 . . . . 0.0 111.651 173.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.4 ptt-85 -93.47 28.42 2.27 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 113.296 -1.775 . . . . 0.0 113.056 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.6 p -147.36 138.93 24.0 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -171.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.04 -73.02 0.19 Allowed 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 114.835 -1.075 . . . . 0.0 112.989 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -59.85 -48.83 80.09 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.012 0.925 . . . . 0.0 112.497 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.42 -4.79 8.95 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 115.875 1.806 . . . . 0.0 115.875 177.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.747 HD12 ' HB2' ' A' ' 15' ' ' PHE . 6.4 tt -99.68 -52.86 3.34 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 118.517 -0.754 . . . . 0.0 111.308 163.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.78 -48.44 56.83 Favored Glycine 0 N--CA 1.483 1.831 0 CA-C-O 121.518 0.51 . . . . 0.0 112.099 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.71 -36.93 93.73 Favored Glycine 0 CA--C 1.537 1.437 0 CA-C-N 113.492 -1.354 . . . . 0.0 112.61 171.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.644 ' O ' HG12 ' A' ' 27' ' ' VAL . 1.7 t60 -69.58 -35.94 75.81 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 117.893 0.846 . . . . 0.0 109.592 -177.328 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.49 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 9.3 ttt -62.73 -42.11 99.5 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.35 1.46 . . . . 0.0 111.971 173.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -66.75 -29.27 69.2 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 174.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.644 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -66.99 -15.02 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 172.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.49 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 13.2 m-70 . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 178.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 . . . . . 0 N--CA 1.478 0.96 0 CA-C-O 121.27 0.557 . . . . 0.0 111.84 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.588 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 29.7 m -93.91 154.54 17.64 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 113.88 -1.509 . . . . 0.0 111.039 178.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.34 -16.81 16.79 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 -175.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.56 ' H ' HG23 ' A' ' 7' ' ' THR . 20.9 p 76.42 -52.6 0.6 Allowed 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 129.837 3.255 . . . . 0.0 112.138 -172.446 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.99 -40.44 94.96 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 115.019 1.489 . . . . 0.0 115.019 178.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.5 p -109.29 12.52 24.76 Favored 'General case' 0 C--N 1.343 0.292 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 172.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.45 ' HA ' HG21 ' A' ' 7' ' ' THR . 4.5 pttm 34.61 14.97 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 118.566 2.802 . . . . 0.0 118.566 -170.051 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.588 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -80.83 150.25 29.22 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.706 1.202 . . . . 0.0 110.101 -172.577 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -106.63 118.08 35.72 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 112.991 -1.913 . . . . 0.0 109.919 -176.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.488 ' HB2' HD11 ' A' ' 21' ' ' LEU . 35.3 m-85 -121.94 155.56 35.25 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 113.033 -1.894 . . . . 0.0 111.977 -176.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -108.08 56.61 0.63 Allowed 'General case' 0 N--CA 1.487 1.382 0 CA-C-N 113.092 -1.867 . . . . 0.0 113.003 -175.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.535 ' O ' HD13 ' A' ' 21' ' ' LEU . 58.8 m -162.44 163.69 27.53 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.726 -176.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -121.36 18.6 11.42 Favored 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 115.208 1.559 . . . . 0.0 115.208 176.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.567 ' HG3' ' H ' ' A' ' 20' ' ' ALA . 21.7 pt20 -134.52 -57.25 0.84 Allowed 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.926 0.89 . . . . 0.0 112.628 -176.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.567 ' H ' ' HG3' ' A' ' 19' ' ' GLN . . . -48.91 -37.0 18.51 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 114.52 -1.218 . . . . 0.0 112.78 171.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.535 HD13 ' O ' ' A' ' 17' ' ' SER . 7.2 mp -68.89 -51.09 43.92 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 177.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.62 -49.45 65.3 Favored Glycine 0 N--CA 1.481 1.65 0 O-C-N 124.332 1.02 . . . . 0.0 111.198 177.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.07 -42.23 99.72 Favored Glycine 0 CA--C 1.539 1.542 0 CA-C-N 114.005 -1.097 . . . . 0.0 112.933 173.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.605 ' O ' HG12 ' A' ' 27' ' ' VAL . 3.2 t60 -72.4 -37.58 68.64 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -174.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.563 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 4.0 tmm? -65.13 -38.03 89.34 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.366 1.467 . . . . 0.0 111.884 174.192 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -66.63 -35.35 79.97 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 174.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.605 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.9 OUTLIER -65.68 -16.67 20.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 173.46 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.563 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 7.9 m-70 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 178.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.45 HG23 ' H ' ' A' ' 9' ' ' SER . 3.0 m -85.59 154.71 21.54 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 112.611 -2.086 . . . . 0.0 108.78 -178.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.22 -11.49 18.72 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -178.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.45 ' H ' HG23 ' A' ' 7' ' ' THR 0.263 18.1 p 74.3 -57.0 0.63 Allowed 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 128.555 2.742 . . . . 0.0 112.096 -171.26 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -58.58 -36.81 74.56 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 175.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.7 p -113.45 10.24 18.22 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 119.03 -1.068 . . . . 0.0 108.259 177.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt 32.32 24.46 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 117.415 2.376 . . . . 0.0 117.415 -171.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.3 ttm-85 -101.15 131.4 47.12 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 122.015 0.912 . . . . 0.0 108.559 -172.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -81.66 118.3 22.7 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 111.243 -2.708 . . . . 0.0 110.956 -177.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -113.79 136.8 52.46 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 113.391 -1.731 . . . . 0.0 112.104 177.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.8 ptt180 -83.27 37.89 0.58 Allowed 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 113.469 -1.696 . . . . 0.0 111.887 173.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.4 m -139.68 159.32 42.45 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 114.047 -1.433 . . . . 0.0 112.243 -170.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.66 -75.12 0.59 Allowed 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 113.943 -1.481 . . . . 0.0 110.85 175.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? -61.7 -43.2 99.3 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -178.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.83 -41.29 86.53 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 172.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -74.74 -39.78 61.65 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.517 0.727 . . . . 0.0 112.765 178.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.19 -47.61 80.31 Favored Glycine 0 N--CA 1.482 1.747 0 O-C-N 123.794 0.684 . . . . 0.0 111.784 172.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.66 -37.09 92.92 Favored Glycine 0 N--CA 1.48 1.63 0 CA-C-N 114.768 -0.716 . . . . 0.0 112.925 172.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.63 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.2 t60 -72.12 -36.9 69.55 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -174.128 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.53 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 9.5 ttp -62.27 -41.75 98.75 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.334 1.054 . . . . 0.0 112.123 172.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -70.16 -22.93 62.92 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 175.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.63 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.4 OUTLIER -72.55 -14.91 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 170.115 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.53 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 11.1 m-70 . . . . . 0 N--CA 1.454 -0.27 0 C-N-CA 123.39 0.676 . . . . 0.0 109.648 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.598 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . . . . . . 0 C--O 1.231 0.084 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.437 ' CD1' ' C ' ' A' ' 1' ' ' TRP . 0.2 OUTLIER -134.23 89.59 27.62 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 108.121 . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.48 168.23 16.89 Favored 'Trans proline' 0 CA--C 1.549 1.235 0 C-N-CA 123.652 2.901 . . . . 0.0 114.449 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -68.46 -52.4 0.46 Allowed 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 122.14 1.893 . . . . 0.0 115.278 177.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.3 ptt-85 -90.0 22.93 2.98 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -175.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 8.4 p 178.16 146.19 0.14 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.983 1.313 . . . . 0.0 111.086 -169.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -139.55 163.32 32.86 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 114.447 -1.251 . . . . 0.0 110.115 -170.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.598 ' OG1' ' O ' ' A' ' 0' ' ' ACE . 2.1 m -112.28 155.15 24.55 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.937 1.295 . . . . 0.0 109.512 -173.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.44 -10.09 22.62 Favored 'General case' 0 C--N 1.344 0.35 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -178.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.0 p 73.77 -54.93 0.68 Allowed 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 129.489 3.116 . . . . 0.0 112.336 -171.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.86 -33.71 74.67 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 176.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.8 p -113.11 8.51 18.33 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 174.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.0 pttt 30.01 25.9 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 117.432 2.382 . . . . 0.0 117.432 -171.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.436 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -95.26 130.93 41.83 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.338 1.055 . . . . 0.0 108.864 -174.299 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -80.34 121.63 25.92 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 112.43 -2.168 . . . . 0.0 112.46 175.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.67 ' HB2' HD11 ' A' ' 21' ' ' LEU . 67.0 m-85 -119.85 157.17 29.24 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 113.024 -1.898 . . . . 0.0 110.712 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.3 mtm105 -103.45 40.33 1.43 Allowed 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 114.769 -1.105 . . . . 0.0 113.961 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.4 m -139.15 178.2 7.35 Favored 'General case' 0 N--CA 1.484 1.23 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.29 -174.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -124.16 -65.48 1.05 Allowed 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 120.802 0.334 . . . . 0.0 111.683 170.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -61.34 -37.31 82.82 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 115.161 -0.927 . . . . 0.0 113.145 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.54 -39.48 76.72 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 116.996 -1.478 . . . . 0.0 112.588 171.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.67 HD11 ' HB2' ' A' ' 15' ' ' PHE . 4.9 mp -68.78 -46.15 69.47 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 175.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.25 -51.81 39.8 Favored Glycine 0 N--CA 1.484 1.837 0 O-C-N 124.514 1.134 . . . . 0.0 111.213 175.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.98 -39.21 97.79 Favored Glycine 0 CA--C 1.539 1.547 0 CA-C-N 113.837 -1.182 . . . . 0.0 113.126 173.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.605 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.0 t60 -72.53 -34.81 67.83 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 -172.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.569 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 17.6 ttt -64.9 -41.13 95.85 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.874 1.27 . . . . 0.0 111.96 173.114 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -65.94 -31.4 72.3 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 174.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.605 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.5 OUTLIER -68.95 -14.17 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 N-CA-C 114.212 1.189 . . . . 0.0 114.212 173.742 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.569 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 9.9 m-70 -59.39 131.31 50.58 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.67 95.17 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 124.325 1.05 . . . . 0.0 110.844 175.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 60.49 169.79 0.09 Allowed 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 114.062 -1.427 . . . . 0.0 111.853 -176.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -75.67 -59.77 2.61 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 114.886 -1.052 . . . . 0.0 112.933 169.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 41.72 33.27 0.31 Allowed 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 127.163 2.185 . . . . 0.0 116.447 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -160.41 -176.43 5.6 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.501 1.521 . . . . 0.0 108.598 -171.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.14 -142.52 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.477 1.111 . . . . 0.0 110.059 177.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.4 mt 70.06 121.38 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 126.691 1.996 . . . . 0.0 110.45 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.4 -44.68 84.72 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 114.494 -1.23 . . . . 0.0 113.672 -174.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -127.51 -60.52 1.18 Allowed 'General case' 0 N--CA 1.483 1.181 0 CA-C-O 117.674 -1.155 . . . . 0.0 112.279 171.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.899 0 O-C-N 123.851 0.72 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.024 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.536 ' CD1' ' N ' ' A' ' 1' ' ' TRP . 0.0 OUTLIER 172.22 142.43 0.13 Allowed Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -69.11 158.65 57.0 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 124.279 3.319 . . . . 0.0 112.881 176.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -65.86 -36.25 32.15 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 123.116 2.544 . . . . 0.0 114.06 174.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -88.6 129.62 35.45 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.866 0.866 . . . . 0.0 110.128 175.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.434 ' HB3' ' HB3' ' A' ' 14' ' ' GLU . 0.4 OUTLIER 58.35 150.2 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.528 1.131 . . . . 0.0 113.715 -175.322 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -126.99 145.68 50.62 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 173.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.502 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 70.5 p -73.84 162.94 28.58 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 113.394 -1.73 . . . . 0.0 110.545 176.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.71 -2.92 27.3 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.6 p 68.83 -54.85 0.55 Allowed 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 128.736 2.815 . . . . 0.0 113.057 -168.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.27 -44.79 86.93 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 179.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.7 p -108.25 9.05 28.09 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 174.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 pttp 33.94 22.35 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 116.963 2.209 . . . . 0.0 116.963 -170.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.502 ' O ' ' HA ' ' A' ' 7' ' ' THR . 6.2 ttt-85 -81.11 133.36 35.46 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.862 0.865 . . . . 0.0 109.687 -174.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.434 ' HB3' ' HB3' ' A' ' 5' ' ' SER . 27.0 mt-10 -78.85 111.01 14.57 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 112.684 -2.053 . . . . 0.0 111.835 178.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.472 ' HB2' HD12 ' A' ' 21' ' ' LEU . 89.7 m-85 -109.73 133.88 52.63 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 114.122 -1.399 . . . . 0.0 111.106 176.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.4 ttm-85 -84.99 44.46 1.08 Allowed 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 123.272 1.511 . . . . 0.0 110.362 173.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.6 m -148.89 160.69 43.02 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 114.348 -1.296 . . . . 0.0 112.782 -172.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -116.04 -68.49 0.92 Allowed 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 114.614 -1.175 . . . . 0.0 111.558 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -53.45 -49.26 67.77 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 113.391 0.885 . . . . 0.0 113.391 174.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.88 -26.99 69.05 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 114.432 -1.258 . . . . 0.0 113.631 176.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.472 HD12 ' HB2' ' A' ' 15' ' ' PHE . 5.2 tt -82.14 -52.01 7.41 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.062 0.945 . . . . 0.0 111.05 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.34 -47.25 83.94 Favored Glycine 0 N--CA 1.481 1.679 0 O-C-N 123.683 0.614 . . . . 0.0 112.212 177.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.36 -37.57 94.29 Favored Glycine 0 CA--C 1.539 1.549 0 CA-C-N 114.715 -0.743 . . . . 0.0 112.879 172.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.603 ' O ' HG12 ' A' ' 27' ' ' VAL . 1.9 t60 -72.2 -35.18 68.87 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -174.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.483 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -61.01 -42.97 99.47 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.071 1.748 . . . . 0.0 112.076 171.447 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -65.58 -36.15 82.91 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.361 0.664 . . . . 0.0 112.695 176.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.603 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.5 OUTLIER -66.56 -12.21 14.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 175.685 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.483 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 14.3 m-70 -57.87 146.21 32.7 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 176.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -173.21 93.5 0.1 Allowed 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.243 1.017 . . . . 0.0 112.47 176.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.53 144.43 50.42 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 114.81 -1.086 . . . . 0.0 112.853 174.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.42 174.25 7.38 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 113.297 -1.774 . . . . 0.0 109.934 169.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 47.12 -154.41 0.06 Allowed 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.157 1.383 . . . . 0.0 111.788 -177.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 57.57 134.69 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 126.541 1.937 . . . . 0.0 115.463 176.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -143.89 90.35 2.12 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 114.338 -1.301 . . . . 0.0 111.556 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.7 mp 64.86 143.33 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 112.615 -2.084 . . . . 0.0 112.7 -176.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -87.56 105.63 17.46 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 178.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -151.23 88.94 1.47 Allowed 'General case' 0 C--O 1.27 2.139 0 CA-C-N 113.653 -1.612 . . . . 0.0 114.434 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.445 1 CA-C-N 26.804 -41.089 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.745 ' O ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.232 0.144 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.525 ' CG ' ' O ' ' A' ' 1' ' ' TRP . 4.0 p-90 -40.15 95.93 0.1 Allowed Pre-proline 0 C--N 1.323 -0.573 0 O-C-N 124.515 1.135 . . . . 0.0 107.996 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.845 ' HD2' ' HH ' ' A' ' 6' ' ' TYR . 74.3 Cg_endo -66.45 147.58 82.71 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 123.318 2.679 . . . . 0.0 112.062 177.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -76.34 72.06 5.59 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.012 2.474 . . . . 0.0 111.94 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -143.61 -176.64 5.04 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.685 1.594 . . . . 0.0 110.863 -178.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.5 p -60.87 147.58 42.47 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 122.146 0.975 . . . . 0.0 112.643 173.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.845 ' HH ' ' HD2' ' A' ' 2' ' ' PRO . 2.6 m-85 -132.69 156.65 46.61 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 113.346 -1.752 . . . . 0.0 114.016 -178.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.461 HG23 ' H ' ' A' ' 9' ' ' SER . 3.0 m -108.69 156.01 20.07 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.313 1.445 . . . . 0.0 109.77 -177.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.34 -8.26 23.57 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -178.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.461 ' H ' HG23 ' A' ' 7' ' ' THR . 21.4 p 72.92 -52.05 0.71 Allowed 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 129.608 3.163 . . . . 0.0 112.546 -170.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.41 -45.09 73.59 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.7 p -95.7 3.47 53.87 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 172.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.417 ' HA ' ' CG2' ' A' ' 7' ' ' THR . 8.7 ptmt 34.38 23.84 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 117.999 2.592 . . . . 0.0 117.999 -172.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.5 mtp85 -97.04 129.97 44.41 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.478 1.111 . . . . 0.0 110.437 -177.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -70.43 123.61 22.17 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 110.552 -3.022 . . . . 0.0 111.796 173.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.616 ' HB2' HD11 ' A' ' 21' ' ' LEU . 69.9 m-85 -121.27 166.7 13.64 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 113.325 -1.761 . . . . 0.0 110.245 176.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -107.28 31.62 5.25 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 -177.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.0 m -140.27 178.37 7.34 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.999 -171.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.49 -66.41 1.01 Allowed 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.325 171.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -59.46 -39.99 85.45 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.06 -37.6 66.96 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 117.676 -1.154 . . . . 0.0 112.713 172.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.616 HD11 ' HB2' ' A' ' 15' ' ' PHE . 6.4 mp -74.41 -43.65 55.41 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 176.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.16 -51.16 42.85 Favored Glycine 0 N--CA 1.481 1.664 0 O-C-N 124.454 1.097 . . . . 0.0 110.835 173.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.73 -39.46 97.51 Favored Glycine 0 CA--C 1.539 1.57 0 CA-C-N 113.673 -1.263 . . . . 0.0 113.256 173.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.603 ' O ' HG12 ' A' ' 27' ' ' VAL . 1.8 t60 -73.05 -33.53 65.73 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -172.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.542 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 1.4 tmm? -63.95 -41.51 97.56 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.588 1.555 . . . . 0.0 112.137 172.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -65.01 -33.63 76.51 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 174.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.603 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.5 OUTLIER -69.41 -9.01 11.54 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.972 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 174.622 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.542 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 11.4 m-70 -62.91 176.94 0.62 Allowed 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.4 ttp85 67.42 98.16 0.05 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.503 1.521 . . . . 0.0 110.831 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.2 mtt180 56.8 85.55 0.08 Allowed 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 113.095 -1.866 . . . . 0.0 114.109 -175.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -48.38 -47.6 37.34 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 113.139 -1.846 . . . . 0.0 114.963 -178.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 57.02 -77.92 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.839 1.655 . . . . 0.0 114.439 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -131.91 74.49 1.59 Allowed 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 122.81 1.29 . . . . 0.0 109.194 172.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.95 82.15 8.24 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 114.653 -1.158 . . . . 0.0 108.539 -177.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 66.01 106.67 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 112.081 -2.327 . . . . 0.0 112.513 -175.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -118.44 139.61 51.14 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 113.507 -1.679 . . . . 0.0 108.963 -177.319 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 mt 56.07 25.38 8.86 Favored 'General case' 0 C--O 1.27 2.159 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 176.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.438 1 CA-C-N 92.015 -11.448 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.075 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 178.6 133.95 0.23 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.617 1.198 . . . . 0.0 107.906 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -63.65 152.43 80.43 Favored 'Trans proline' 0 N--CA 1.483 0.886 0 C-N-CA 123.318 2.679 . . . . 0.0 110.682 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -72.55 -160.38 0.09 OUTLIER 'Trans proline' 0 CA--C 1.543 0.942 0 C-N-CA 122.091 1.861 . . . . 0.0 112.523 176.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 66.31 -151.12 0.22 Allowed 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 126.547 1.939 . . . . 0.0 111.044 177.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 p -67.25 144.32 56.0 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.84 0.856 . . . . 0.0 112.347 175.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -118.26 150.75 38.93 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 113.855 1.058 . . . . 0.0 113.855 -176.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.8 p -75.77 160.86 29.56 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 114.386 -1.279 . . . . 0.0 111.194 178.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.8 -4.64 24.63 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.5 p 70.28 -55.02 0.62 Allowed 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 128.697 2.799 . . . . 0.0 112.829 -169.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.29 -38.14 90.0 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 179.09 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.9 p -117.11 12.06 14.38 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 173.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.8 pttt 32.99 25.43 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 116.019 1.859 . . . . 0.0 116.019 -169.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -92.17 126.85 37.42 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.961 0.886 . . . . 0.0 110.67 -169.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -71.33 111.64 6.82 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 111.547 -2.57 . . . . 0.0 112.773 -176.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -109.72 131.85 54.68 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 113.561 -1.654 . . . . 0.0 112.52 176.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -83.61 39.43 0.68 Allowed 'General case' 0 N--CA 1.484 1.238 0 CA-C-N 114.172 -1.376 . . . . 0.0 112.458 170.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.472 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 75.1 m -136.75 137.98 40.46 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 114.588 -1.187 . . . . 0.0 111.095 -170.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.61 -78.55 0.16 Allowed 'General case' 0 N--CA 1.48 1.049 0 O-C-N 124.444 1.09 . . . . 0.0 110.498 169.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.42 -46.02 91.87 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 114.781 1.401 . . . . 0.0 114.781 178.332 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.472 ' HB3' ' HB3' ' A' ' 17' ' ' SER . . . -68.0 -0.14 4.12 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 176.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.6 tt -100.35 -54.21 2.92 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.629 0.772 . . . . 0.0 109.778 166.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.84 -48.18 67.96 Favored Glycine 0 N--CA 1.484 1.873 0 O-C-N 123.661 0.601 . . . . 0.0 112.644 177.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.67 -37.63 95.02 Favored Glycine 0 CA--C 1.537 1.443 0 CA-C-N 114.203 -0.999 . . . . 0.0 112.474 172.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.598 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.2 t60 -70.11 -35.18 73.95 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -178.364 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.492 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -61.84 -44.32 97.07 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.183 1.793 . . . . 0.0 111.828 171.872 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -65.78 -32.11 73.47 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 175.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.598 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.8 OUTLIER -68.18 -11.29 14.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 174.064 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.492 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 14.3 m-70 -61.16 120.62 10.68 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 177.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -172.53 52.14 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 177.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 52.17 80.76 0.09 Allowed 'General case' 0 N--CA 1.485 1.288 0 CA-C-O 122.633 1.206 . . . . 0.0 111.331 -174.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -75.43 -58.94 2.98 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.172 -178.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.8 -31.56 6.69 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 173.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -152.64 152.34 31.66 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.249 1.42 . . . . 0.0 110.273 177.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.98 105.7 6.12 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 114.052 -1.431 . . . . 0.0 109.515 176.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.0 mt 63.66 119.13 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.294 0 O-C-N 124.982 1.426 . . . . 0.0 113.092 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.27 94.72 1.0 Allowed 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.09 -175.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.25 43.37 0.08 Allowed 'General case' 0 C--O 1.27 2.141 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 176.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.431 1 CA-C-N 34.015 -37.812 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.035 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 11.0 m0 66.34 142.91 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 108.003 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.28 150.63 71.34 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 123.511 2.807 . . . . 0.0 112.917 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -65.89 -9.0 21.46 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 123.387 2.725 . . . . 0.0 115.498 175.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -58.29 -179.71 0.06 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.574 1.15 . . . . 0.0 111.403 176.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.78 130.61 33.36 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.758 0.823 . . . . 0.0 113.042 -176.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -111.56 154.83 24.25 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 114.038 -1.437 . . . . 0.0 113.06 -176.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.638 HG23 ' H ' ' A' ' 9' ' ' SER . 7.0 m -96.22 154.74 17.09 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.575 1.55 . . . . 0.0 109.991 -175.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.95 -13.81 16.76 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -178.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.638 ' H ' HG23 ' A' ' 7' ' ' THR . 20.9 p 74.03 -52.97 0.69 Allowed 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 129.419 3.087 . . . . 0.0 112.594 -171.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.24 -36.06 80.86 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 177.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.3 p -117.9 14.04 14.13 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 172.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 29.38 23.86 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 118.493 2.775 . . . . 0.0 118.493 -169.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.46 ' O ' ' HA ' ' A' ' 7' ' ' THR . 7.6 mtp-105 -85.13 140.76 30.7 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.846 1.258 . . . . 0.0 111.626 -178.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -88.61 115.84 26.43 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 111.346 -2.661 . . . . 0.0 110.957 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.776 ' HB2' HD12 ' A' ' 21' ' ' LEU . 47.6 m-85 -110.3 132.87 53.79 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 112.988 -1.915 . . . . 0.0 109.975 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.18 48.88 1.64 Allowed 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 113.271 -1.786 . . . . 0.0 109.191 174.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.413 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 30.4 m -156.2 158.74 38.12 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 114.335 -1.302 . . . . 0.0 112.46 -169.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.91 -69.41 0.86 Allowed 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 114.103 -1.408 . . . . 0.0 111.498 177.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -58.51 -52.75 64.33 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.915 0.886 . . . . 0.0 111.758 177.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.413 ' HB3' ' HB3' ' A' ' 17' ' ' SER . . . -54.16 -30.88 50.9 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 174.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.776 HD12 ' HB2' ' A' ' 15' ' ' PHE . 5.9 tt -81.14 -51.03 8.89 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.991 0.917 . . . . 0.0 112.046 177.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.53 -46.28 58.72 Favored Glycine 0 N--CA 1.483 1.796 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 176.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.05 -37.64 95.27 Favored Glycine 0 CA--C 1.539 1.57 0 CA-C-N 113.927 -1.137 . . . . 0.0 112.834 170.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.646 ' O ' HG12 ' A' ' 27' ' ' VAL . 1.7 t60 -72.05 -35.62 69.37 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -171.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.466 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -61.33 -43.92 98.06 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 126.16 1.784 . . . . 0.0 111.747 172.657 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -65.34 -34.46 78.39 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 176.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.646 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -62.63 -16.4 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 175.077 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.466 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 17.3 m-70 -59.52 -63.8 1.17 Allowed 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 178.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.76 71.35 0.32 Allowed 'General case' 0 N--CA 1.48 1.066 0 CA-C-O 122.766 1.269 . . . . 0.0 113.334 176.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.2 mpp_? 46.46 74.78 0.14 Allowed 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 115.785 1.772 . . . . 0.0 115.785 -171.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.413 ' OD2' ' HA ' ' A' ' 28' ' ' HIS . 26.5 m-20 -81.13 -70.01 0.56 Allowed 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 113.531 -1.668 . . . . 0.0 115.104 177.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.4 ttt180 54.34 80.94 0.11 Allowed 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 126.001 1.721 . . . . 0.0 112.555 -178.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 46.28 81.06 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 123.342 1.544 . . . . 0.0 114.201 -176.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -102.58 91.27 4.14 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 113.166 -1.834 . . . . 0.0 111.183 -174.525 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 46.5 45.26 13.81 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 113.75 -1.568 . . . . 0.0 114.55 -178.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -155.02 151.27 28.24 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 114.648 -1.16 . . . . 0.0 112.276 -168.159 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tt -120.95 94.23 4.28 Favored 'General case' 0 C--O 1.27 2.168 0 CA-C-O 116.964 -1.493 . . . . 0.0 112.345 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.448 1 CA-C-N 98.041 -8.709 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.042 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 5.8 m0 72.44 145.9 0.11 Allowed Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -68.03 158.77 55.93 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 124.226 3.284 . . . . 0.0 113.428 176.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.55 -38.57 14.12 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 123.474 2.782 . . . . 0.0 113.935 173.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.8 mtt180 -94.18 129.27 40.84 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 121.803 0.811 . . . . 0.0 113.075 176.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.4 p 57.99 151.28 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 111.598 -2.546 . . . . 0.0 111.998 -171.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.409 ' HB2' HD13 ' A' ' 21' ' ' LEU . 91.0 m-85 -126.44 148.33 49.67 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 114.355 -1.293 . . . . 0.0 112.48 175.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.662 HG23 ' H ' ' A' ' 9' ' ' SER . 92.4 m -90.49 151.51 21.34 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 113.644 -1.616 . . . . 0.0 109.955 177.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.77 -15.22 18.53 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -177.17 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.662 ' H ' HG23 ' A' ' 7' ' ' THR 0.27 16.4 p 77.29 -56.03 0.53 Allowed 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 128.623 2.769 . . . . 0.0 111.905 -172.335 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -59.88 -39.73 86.27 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 175.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 26.3 p -106.98 6.69 29.36 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 118.442 -1.303 . . . . 0.0 108.311 176.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.541 ' HA ' HG21 ' A' ' 7' ' ' THR . 0.0 OUTLIER 33.01 23.34 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 117.626 2.454 . . . . 0.0 117.626 -169.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.4 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 8.3 mtp85 -98.91 141.88 31.12 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 114.337 -1.301 . . . . 0.0 110.974 -175.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -91.94 117.08 29.47 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 111.455 -2.612 . . . . 0.0 110.744 -176.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.853 ' HB2' HD12 ' A' ' 21' ' ' LEU . 3.5 m-85 -106.4 134.77 49.02 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 113.967 -1.469 . . . . 0.0 111.056 177.036 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.566 ' H ' ' HD3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -81.02 40.14 0.53 Allowed 'General case' 0 N--CA 1.482 1.137 0 CA-C-O 123.786 1.755 . . . . 0.0 112.002 170.373 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.513 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 41.6 m -139.28 158.92 43.32 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 113.701 -1.59 . . . . 0.0 111.631 -171.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -114.66 -73.47 0.65 Allowed 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 114.405 -1.271 . . . . 0.0 111.216 174.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.96 -41.68 98.27 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.513 ' HB3' ' HB3' ' A' ' 17' ' ' SER . . . -58.42 -36.05 73.0 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 118.368 -0.825 . . . . 0.0 113.027 173.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.853 HD12 ' HB2' ' A' ' 15' ' ' PHE . 6.0 tt -75.2 -48.57 22.87 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.523 0.729 . . . . 0.0 112.227 179.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.97 -48.44 58.03 Favored Glycine 0 N--CA 1.483 1.823 0 O-C-N 124.034 0.834 . . . . 0.0 111.487 174.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.34 -35.68 91.99 Favored Glycine 0 CA--C 1.539 1.567 0 CA-C-N 113.844 -1.178 . . . . 0.0 113.28 171.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.635 ' O ' HG12 ' A' ' 27' ' ' VAL . 1.8 t60 -72.39 -35.95 68.56 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -172.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.485 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 9.9 ttt -62.49 -42.61 99.61 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.981 1.313 . . . . 0.0 111.843 172.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -63.22 -36.07 82.44 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 174.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.635 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.4 OUTLIER -65.53 -15.32 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 176.034 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.485 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 8.9 m-70 -59.72 -76.21 0.05 OUTLIER 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.048 0.539 . . . . 0.0 109.583 178.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -173.55 129.09 0.43 Allowed 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 176.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.5 ttt180 65.59 147.81 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.862 0 O-C-N 126.376 2.298 . . . . 0.0 112.517 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -104.82 93.48 4.76 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 113.366 -1.743 . . . . 0.0 111.283 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.402 HH21 ' HE3' ' A' ' 25' ' ' MET . 64.8 mtm180 -59.51 147.53 36.45 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 114.442 -1.254 . . . . 0.0 111.731 175.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.4 133.2 40.45 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 114.776 -1.102 . . . . 0.0 112.238 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -111.9 118.43 35.48 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 114.262 -1.336 . . . . 0.0 109.245 -177.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 60.26 85.86 0.1 Allowed 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 113.273 -1.785 . . . . 0.0 113.157 -176.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -119.66 157.62 28.11 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 113.518 -1.674 . . . . 0.0 111.762 -179.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 mp -97.52 79.02 2.7 Favored 'General case' 0 C--O 1.27 2.167 0 CA-C-O 117.022 -1.466 . . . . 0.0 113.912 174.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.425 1 CA-C-N 64.985 -23.734 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.011 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 16.9 t-105 -143.36 60.54 8.92 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 108.025 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -73.81 150.46 44.43 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 122.118 1.879 . . . . 0.0 111.383 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -71.07 44.34 0.53 Allowed 'Trans proline' 0 CA--C 1.547 1.164 0 C-N-CA 123.45 2.767 . . . . 0.0 116.082 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -164.06 28.03 0.08 Allowed 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.604 1.562 . . . . 0.0 113.873 177.033 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.659 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 96.2 p -166.95 135.68 2.75 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.787 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -144.08 165.27 28.26 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 124.932 1.395 . . . . 0.0 111.357 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.588 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 74.8 p -98.32 161.7 13.56 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 125.085 1.354 . . . . 0.0 111.366 177.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.416 ' HA ' HD22 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -97.33 -6.52 34.09 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -175.72 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.2 p 68.95 -54.5 0.56 Allowed 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 128.786 2.834 . . . . 0.0 112.934 -168.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.38 -36.81 84.94 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 178.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.2 p -116.77 8.54 13.7 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 173.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.7 pttt 36.17 16.67 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 117.21 2.3 . . . . 0.0 117.21 -170.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.588 ' O ' ' HA ' ' A' ' 7' ' ' THR . 2.4 tpp180 -77.19 136.82 38.59 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.22 1.008 . . . . 0.0 110.172 -173.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -75.79 121.54 22.74 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 113.415 -1.72 . . . . 0.0 112.272 173.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.659 ' O ' ' HA ' ' A' ' 5' ' ' SER . 75.3 m-85 -115.61 160.69 19.68 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-N 112.901 -1.954 . . . . 0.0 109.965 175.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.4 mtt85 -115.23 35.59 4.29 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 114.891 -1.05 . . . . 0.0 113.498 -177.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.525 ' OG ' ' HB3' ' A' ' 20' ' ' ALA . 16.9 p -169.23 139.58 2.23 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 115.179 -0.919 . . . . 0.0 113.368 -176.004 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.11 -55.65 15.39 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 113.91 -1.495 . . . . 0.0 114.047 -179.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -68.87 -46.98 67.04 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 -178.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.525 ' HB3' ' OG ' ' A' ' 17' ' ' SER . . . -66.7 -4.19 8.36 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 174.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.649 HD12 ' HB2' ' A' ' 15' ' ' PHE . 3.7 tt -99.31 -51.51 3.78 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 118.613 -0.708 . . . . 0.0 111.867 166.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.95 -47.48 72.31 Favored Glycine 0 N--CA 1.484 1.869 0 O-C-N 123.424 0.453 . . . . 0.0 112.258 176.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.81 -39.31 96.5 Favored Glycine 0 CA--C 1.536 1.381 0 CA-C-N 113.988 -1.106 . . . . 0.0 112.551 172.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.614 ' O ' HG12 ' A' ' 27' ' ' VAL . 3.2 t60 -70.69 -34.28 71.81 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 117.382 0.591 . . . . 0.0 109.595 -177.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.493 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 0.6 OUTLIER -63.95 -44.78 91.79 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.098 0.959 . . . . 0.0 111.918 172.047 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -63.86 -33.13 75.0 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 176.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.614 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -67.19 -11.65 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 173.521 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.493 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 15.7 m-70 -62.11 176.91 0.52 Allowed 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 175.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 56.59 68.14 0.9 Allowed 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -175.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -163.13 112.94 1.35 Allowed 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 113.856 -1.52 . . . . 0.0 109.461 177.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.18 90.31 2.93 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 115.086 -0.961 . . . . 0.0 111.337 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.56 90.38 0.2 Allowed 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 114.036 -1.438 . . . . 0.0 111.772 -179.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -169.43 142.3 2.61 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.068 1.347 . . . . 0.0 110.181 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -165.83 85.28 0.34 Allowed 'General case' 0 N--CA 1.481 1.109 0 O-C-N 124.616 1.198 . . . . 0.0 108.624 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 35.0 mt 55.19 -175.6 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 114.274 -1.33 . . . . 0.0 112.948 -177.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -111.86 91.45 3.66 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 121.663 0.744 . . . . 0.0 110.296 175.291 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.1 mp 65.85 94.77 0.06 Allowed 'General case' 0 C--O 1.27 2.153 0 N-CA-C 115.783 1.771 . . . . 0.0 115.783 -177.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.435 1 CA-C-N 25.99 -41.459 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.161 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 61.6 t-105 63.21 75.72 0.39 Allowed Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.468 1.105 . . . . 0.0 108.019 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -75.03 149.85 37.16 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 123.519 2.813 . . . . 0.0 112.037 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -71.03 -39.94 3.73 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.968 2.446 . . . . 0.0 114.038 175.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 36.8 mtp85 -98.73 132.23 44.27 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.215 1.006 . . . . 0.0 109.423 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.554 ' HB2' ' HB2' ' A' ' 14' ' ' GLU . 4.8 p 60.77 128.75 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 126.769 2.028 . . . . 0.0 112.732 -170.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -125.22 145.63 49.89 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 113.501 -1.682 . . . . 0.0 112.769 177.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.662 HG23 ' H ' ' A' ' 9' ' ' SER . 90.4 m -88.16 153.66 21.07 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 113.362 -1.745 . . . . 0.0 110.603 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.98 -14.89 17.68 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 -177.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.662 ' H ' HG23 ' A' ' 7' ' ' THR . 22.7 p 75.97 -53.22 0.62 Allowed 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 129.753 3.221 . . . . 0.0 111.976 -172.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.41 -35.55 80.78 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 113.936 -1.483 . . . . 0.0 114.857 177.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 13' ' ' ARG . 31.3 p -114.21 10.65 17.32 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 173.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.552 ' HA ' HG21 ' A' ' 7' ' ' THR . 10.5 pttp 32.67 18.45 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 118.339 2.718 . . . . 0.0 118.339 -169.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.456 ' O ' ' HA ' ' A' ' 7' ' ' THR . 31.4 ttm-85 -91.89 140.22 29.89 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.4 1.08 . . . . 0.0 109.976 -172.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.554 ' HB2' ' HB2' ' A' ' 5' ' ' SER . 1.1 pm0 -86.51 119.34 26.66 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 111.41 -2.632 . . . . 0.0 112.048 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.717 ' HB2' HD12 ' A' ' 21' ' ' LEU . 83.2 m-85 -113.73 131.28 56.24 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 113.24 -1.8 . . . . 0.0 110.73 177.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -75.43 31.69 0.1 Allowed 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 114.626 -1.17 . . . . 0.0 112.893 169.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.432 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 19.9 m -133.97 158.52 43.3 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.391 1.076 . . . . 0.0 112.069 -169.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.42 -67.92 0.96 Allowed 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 114.084 -1.416 . . . . 0.0 111.345 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -58.32 -52.55 65.12 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.833 0.853 . . . . 0.0 111.632 177.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.432 ' HB3' ' HB3' ' A' ' 17' ' ' SER . . . -55.48 -31.57 62.11 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 175.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.717 HD12 ' HB2' ' A' ' 15' ' ' PHE . 5.8 tt -80.28 -50.61 9.97 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.83 0.852 . . . . 0.0 112.047 179.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.1 -46.73 69.45 Favored Glycine 0 N--CA 1.484 1.852 0 O-C-N 123.886 0.741 . . . . 0.0 111.508 176.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.51 -37.62 94.99 Favored Glycine 0 CA--C 1.54 1.637 0 CA-C-N 113.922 -1.139 . . . . 0.0 112.74 171.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.65 ' O ' HG12 ' A' ' 27' ' ' VAL . 1.6 t60 -72.1 -36.62 69.52 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -172.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.424 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -59.45 -43.54 93.15 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.414 1.885 . . . . 0.0 111.264 172.301 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -65.91 -37.2 85.46 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 177.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.65 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -61.4 -17.23 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 114.236 1.199 . . . . 0.0 114.236 175.8 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.424 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 14.8 m-70 -59.17 -62.54 1.81 Allowed 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 177.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.4 mtt85 52.06 120.58 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 116.431 2.011 . . . . 0.0 116.431 -171.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.8 mtm180 -74.43 71.06 1.78 Allowed 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 122.484 1.135 . . . . 0.0 113.414 172.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.5 p30 -135.54 21.83 3.38 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 113.238 -1.801 . . . . 0.0 114.7 176.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -135.31 136.33 41.5 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 107.294 -1.372 . . . . 0.0 107.294 177.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.22 144.84 44.89 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.642 171.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -46.32 -48.9 18.18 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 -174.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 42.9 mt 45.06 68.34 0.58 Allowed 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.678 1.591 . . . . 0.0 113.105 174.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.99 144.55 56.14 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 114.512 -1.222 . . . . 0.0 111.173 -175.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 1.085 ' CG ' ' N ' ' A' ' 38' ' ' NH2 . 0.4 OUTLIER -109.75 -96.38 0.4 Allowed 'General case' 0 C--O 1.27 2.171 0 CA-C-N 113.646 -1.616 . . . . 0.0 113.868 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . 1.085 ' N ' ' CG ' ' A' ' 37' ' ' LEU . . . . . . . . 0 C--N 1.302 -1.464 1 CA-C-N 78.841 -17.436 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.526 ' O ' ' CG ' ' A' ' 1' ' ' TRP . . . . . . . . 0 C--O 1.231 0.1 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.526 ' CG ' ' O ' ' A' ' 0' ' ' ACE . 1.4 m0 163.05 139.24 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.451 ' HG2' ' HB2' ' A' ' 5' ' ' SER . 53.5 Cg_endo -68.84 151.98 73.92 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 123.389 2.726 . . . . 0.0 113.656 177.064 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -63.8 -59.29 0.21 Allowed 'Trans proline' 0 N--CA 1.478 0.605 0 C-N-CA 123.366 2.711 . . . . 0.0 114.793 -179.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.79 33.68 2.25 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 -178.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.587 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 17.3 m -157.45 141.44 16.05 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.18 -175.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.467 ' O ' ' HA ' ' A' ' 14' ' ' GLU . 79.4 m-85 -141.63 172.97 11.96 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.371 1.068 . . . . 0.0 112.748 -179.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.571 HG23 ' H ' ' A' ' 9' ' ' SER . 8.1 m -104.72 154.34 20.12 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 125.95 1.7 . . . . 0.0 109.863 -176.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.23 -14.47 18.46 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -176.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.571 ' H ' HG23 ' A' ' 7' ' ' THR . 20.0 p 75.52 -53.03 0.65 Allowed 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 129.441 3.097 . . . . 0.0 112.337 -172.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.39 -31.9 73.29 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 177.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.0 p -115.26 9.36 15.71 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 173.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 pttp 31.34 25.42 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 117.519 2.414 . . . . 0.0 117.519 -171.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 ttm-85 -105.07 140.13 38.71 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.976 0.894 . . . . 0.0 110.329 -172.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.467 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -80.07 123.89 28.26 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 112.924 -1.944 . . . . 0.0 112.821 178.258 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.587 ' O ' ' HA ' ' A' ' 5' ' ' SER . 8.1 m-85 -114.02 154.11 28.23 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 113.035 -1.893 . . . . 0.0 111.648 176.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -109.27 46.15 1.01 Allowed 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 114.713 -1.13 . . . . 0.0 113.907 -174.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.629 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 21.1 p -174.42 140.81 0.66 Allowed 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 115.17 -0.923 . . . . 0.0 113.083 -177.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.87 -55.81 11.48 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 114.789 -1.096 . . . . 0.0 112.954 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -48.07 64.0 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.516 ' HB3' ' OG ' ' A' ' 17' ' ' SER . . . -71.71 4.44 3.22 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 174.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.629 ' HB2' ' O ' ' A' ' 17' ' ' SER . 0.4 OUTLIER -101.86 -53.14 3.02 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.885 0.874 . . . . 0.0 111.421 163.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.19 -46.93 84.69 Favored Glycine 0 N--CA 1.483 1.794 0 O-C-N 123.512 0.508 . . . . 0.0 112.546 176.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.15 -38.88 95.78 Favored Glycine 0 CA--C 1.537 1.416 0 CA-C-N 114.233 -0.983 . . . . 0.0 112.454 172.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.612 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.3 t60 -69.76 -36.34 75.69 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 117.479 0.64 . . . . 0.0 109.622 -177.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.46 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -59.67 -45.35 92.33 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.597 1.959 . . . . 0.0 111.381 172.345 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -66.05 -31.19 71.93 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 176.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.612 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.5 OUTLIER -69.84 -8.48 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 173.44 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.46 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 10.6 m-70 -65.71 -178.68 0.58 Allowed 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 176.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 32.1 ptt180 178.11 136.28 0.08 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 126.129 1.772 . . . . 0.0 107.802 177.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -59.66 131.93 52.43 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.413 167.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -158.34 134.67 9.38 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 114.141 -1.39 . . . . 0.0 107.905 -178.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.99 -159.32 0.07 Allowed 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 125.983 1.713 . . . . 0.0 112.889 -174.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.64 -79.98 0.05 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.643 0.777 . . . . 0.0 111.099 169.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -168.71 88.49 0.21 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.306 1.442 . . . . 0.0 109.462 173.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.314 1.6 pp 42.24 -145.01 0.06 Allowed 'General case' 0 N--CA 1.484 1.245 0 CA-C-O 117.06 -1.448 . . . . 0.0 113.171 -178.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 46.83 90.3 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 172.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 mp 60.71 35.15 19.78 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.606 1.162 . . . . 0.0 113.937 -167.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.032 1 CA-C-N 83.978 -15.101 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.645 ' O ' ' CG ' ' A' ' 1' ' ' TRP . . . . . . . . 0 C--O 1.23 0.062 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.645 ' CG ' ' O ' ' A' ' 0' ' ' ACE . 0.8 OUTLIER 61.32 132.26 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -70.62 155.32 63.33 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 123.769 2.979 . . . . 0.0 112.58 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -62.3 -18.11 60.84 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.26 2.64 . . . . 0.0 114.681 174.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 26.0 ptt180 -108.35 116.46 32.0 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.436 1.494 . . . . 0.0 109.32 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.2 m 63.1 154.59 0.05 OUTLIER 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -117.16 131.9 56.78 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 176.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.475 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 41.5 p -71.0 159.97 33.78 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 113.533 -1.667 . . . . 0.0 110.805 174.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -104.34 -5.3 21.89 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -177.186 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.0 p 69.84 -54.73 0.6 Allowed 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 128.655 2.782 . . . . 0.0 112.491 -169.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.07 -38.92 84.28 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.505 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 4.4 p -119.29 12.54 12.57 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 174.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 28.13 29.12 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 117.235 2.309 . . . . 0.0 117.235 -168.079 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.505 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -80.86 120.75 25.1 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.842 1.657 . . . . 0.0 110.791 -177.453 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -74.34 111.73 9.8 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 112.819 -1.991 . . . . 0.0 111.634 177.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.582 ' CG ' HD21 ' A' ' 21' ' ' LEU . 7.4 m-85 -110.34 132.1 54.48 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 114.592 -1.185 . . . . 0.0 113.547 176.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -77.86 47.36 0.63 Allowed 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 123.566 1.65 . . . . 0.0 112.047 169.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.2 m -153.03 158.36 41.87 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 113.727 -1.579 . . . . 0.0 111.803 -171.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -114.71 -71.76 0.73 Allowed 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 113.748 -1.569 . . . . 0.0 110.879 174.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -63.88 -42.58 97.45 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 -178.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.76 -40.33 79.5 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 173.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.582 HD21 ' CG ' ' A' ' 15' ' ' PHE . 3.1 tm? -72.0 -42.84 65.96 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.767 0.827 . . . . 0.0 112.241 176.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.63 -48.92 68.07 Favored Glycine 0 N--CA 1.482 1.736 0 C-N-CA 123.606 0.622 . . . . 0.0 112.474 174.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.59 -37.65 94.54 Favored Glycine 0 CA--C 1.54 1.596 0 CA-C-N 114.917 -0.642 . . . . 0.0 112.984 172.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.6 ' O ' HG12 ' A' ' 27' ' ' VAL . 3.3 t60 -71.93 -35.69 69.72 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.094 0.558 . . . . 0.0 109.615 -174.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.466 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -61.77 -45.16 95.1 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.173 1.789 . . . . 0.0 111.656 171.678 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -63.31 -39.17 93.81 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 176.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.6 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.5 OUTLIER -63.76 -7.97 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 176.466 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.466 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 12.6 m-70 -62.65 -21.56 65.79 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 175.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.6 mmt-85 60.1 56.04 3.49 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.598 -1.314 . . . . 0.0 113.978 173.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -171.46 158.55 5.26 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.572 -174.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 76.42 -136.06 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 126.957 2.103 . . . . 0.0 109.466 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -54.15 143.34 22.88 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.676 1.59 . . . . 0.0 111.922 172.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 59.83 109.23 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 125.642 1.577 . . . . 0.0 113.47 -175.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -64.5 -72.54 0.14 Allowed 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 114.265 -1.334 . . . . 0.0 112.667 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.4 mt 46.34 65.53 1.17 Allowed 'General case' 0 N--CA 1.483 1.208 0 CA-C-O 123.101 1.429 . . . . 0.0 114.555 178.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -135.51 162.15 33.46 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 113.227 -1.806 . . . . 0.0 110.043 -175.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.22 65.89 0.0 OUTLIER 'General case' 0 C--O 1.253 1.26 0 N-CA-C 115.394 1.628 . . . . 0.0 115.394 176.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.051 1 CA-C-N 27.931 -40.577 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -117.36 79.18 11.4 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.532 1.145 . . . . 0.0 108.1 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.542 ' HG2' ' CE2' ' A' ' 6' ' ' TYR . 62.2 Cg_endo -69.13 152.85 72.55 Favored 'Trans proline' 0 CA--C 1.544 0.991 0 C-N-CA 122.759 2.306 . . . . 0.0 112.133 179.478 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -69.01 -173.44 0.61 Allowed 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 122.669 2.246 . . . . 0.0 111.983 176.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.2 mtm180 64.74 164.14 0.14 Allowed 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 125.234 1.414 . . . . 0.0 113.532 -173.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.445 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 49.5 m -63.45 136.24 57.47 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 114.312 -1.313 . . . . 0.0 112.467 176.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.542 ' CE2' ' HG2' ' A' ' 2' ' ' PRO . 67.9 m-85 -133.53 154.31 50.94 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 114.521 -1.218 . . . . 0.0 114.149 175.004 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.439 ' HB ' ' HA ' ' A' ' 12' ' ' LYS . 79.4 p -78.74 162.97 25.78 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 114.224 -1.353 . . . . 0.0 110.832 176.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.44 -4.15 29.5 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -178.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.265 17.1 p 67.81 -58.91 0.43 Allowed 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 127.434 2.294 . . . . 0.0 112.788 -167.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -58.95 -42.47 89.9 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.868 1.432 . . . . 0.0 114.868 176.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.5 p -116.02 12.66 15.71 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.439 ' HA ' ' HB ' ' A' ' 7' ' ' THR . 0.0 OUTLIER 28.63 26.94 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 118.131 2.641 . . . . 0.0 118.131 -169.56 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.5 ttm-85 -83.42 131.65 35.02 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 121.985 0.898 . . . . 0.0 110.028 -176.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -72.26 110.91 7.03 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 112.031 -2.349 . . . . 0.0 112.641 175.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.445 ' O ' ' HA ' ' A' ' 5' ' ' SER . 18.7 m-85 -105.18 131.77 52.24 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 112.718 -2.037 . . . . 0.0 111.013 173.019 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.03 24.78 0.89 Allowed 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 113.118 -1.856 . . . . 0.0 113.217 176.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.481 ' OG ' ' HB3' ' A' ' 20' ' ' ALA . 34.7 p -160.5 133.6 6.62 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-O 122.566 1.174 . . . . 0.0 113.792 -167.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.0 -66.97 0.46 Allowed 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 112.568 -2.105 . . . . 0.0 114.105 -178.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -64.17 -42.06 96.86 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 114.225 1.195 . . . . 0.0 114.225 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.481 ' HB3' ' OG ' ' A' ' 17' ' ' SER . . . -68.89 -6.42 27.14 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 174.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.475 ' HB2' ' O ' ' A' ' 17' ' ' SER . 2.7 tt -94.52 -52.87 4.12 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 118.61 -0.709 . . . . 0.0 110.642 166.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.32 -49.14 70.33 Favored Glycine 0 N--CA 1.485 1.938 0 O-C-N 123.436 0.46 . . . . 0.0 113.4 177.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.9 -39.31 97.88 Favored Glycine 0 CA--C 1.536 1.384 0 CA-C-N 114.191 -1.005 . . . . 0.0 111.84 173.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.628 ' O ' HG12 ' A' ' 27' ' ' VAL . 4.6 t60 -72.4 -37.13 68.76 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 -176.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.523 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -62.82 -42.4 99.71 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.864 1.666 . . . . 0.0 112.1 172.728 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -66.2 -34.25 77.59 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 175.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.628 HG12 ' O ' ' A' ' 24' ' ' HIS 0.251 0.5 OUTLIER -64.38 -15.09 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 172.632 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.523 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 10.3 m-70 -59.67 -34.47 72.89 Favored 'General case' 0 C--N 1.343 0.296 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.017 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -171.24 120.18 0.5 Allowed 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.81 78.02 0.29 Allowed 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 125.775 1.63 . . . . 0.0 113.922 176.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -84.46 -51.91 6.56 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 113.692 -1.594 . . . . 0.0 112.04 178.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 87.7 mtm-85 -121.68 138.7 54.23 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.694 0.798 . . . . 0.0 110.646 177.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -130.4 -60.74 0.99 Allowed 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 113.774 -1.557 . . . . 0.0 112.362 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.99 -70.37 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.453 1.501 . . . . 0.0 109.548 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.4 mt 60.5 173.6 0.1 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 125.105 1.362 . . . . 0.0 110.968 -176.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.2 mtm-85 -40.0 -44.14 1.68 Allowed 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 177.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -129.72 177.04 7.53 Favored 'General case' 0 C--O 1.255 1.371 0 CA-C-O 116.185 -1.864 . . . . 0.0 112.376 175.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.07 0 CA-C-N 108.86 -3.791 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.025 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -138.95 88.41 13.5 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.409 ' HG2' ' O ' ' A' ' 5' ' ' SER . 73.1 Cg_endo -70.25 150.23 64.93 Favored 'Trans proline' 0 CA--C 1.543 0.973 0 C-N-CA 123.773 2.982 . . . . 0.0 112.518 177.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -69.88 -86.43 0.0 OUTLIER 'Trans proline' 0 CA--C 1.544 0.985 0 C-N-CA 123.341 2.694 . . . . 0.0 113.556 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.1 mmt180 -98.65 56.45 1.11 Allowed 'General case' 0 N--CA 1.478 0.969 0 CA-C-O 122.28 1.038 . . . . 0.0 111.956 -178.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.409 ' O ' ' HG2' ' A' ' 2' ' ' PRO . 65.3 p -179.04 156.68 0.81 Allowed 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 114.157 -1.383 . . . . 0.0 111.853 -175.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.423 ' O ' ' HA ' ' A' ' 14' ' ' GLU . 99.6 m-85 -135.65 155.15 50.89 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 113.904 -1.498 . . . . 0.0 112.024 175.223 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.607 HG23 ' H ' ' A' ' 9' ' ' SER . 16.4 m -102.92 157.71 16.78 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.414 1.486 . . . . 0.0 109.687 -177.175 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.14 -10.8 18.53 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -176.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.607 ' H ' HG23 ' A' ' 7' ' ' THR . 18.2 p 74.09 -53.0 0.69 Allowed 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 129.438 3.095 . . . . 0.0 112.373 -171.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.34 -43.97 89.22 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 178.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.8 p -98.99 5.96 46.92 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 119.128 -1.029 . . . . 0.0 108.257 173.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 32.12 25.47 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 118.038 2.607 . . . . 0.0 118.038 -170.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.535 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -97.16 145.3 26.15 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 114.099 -1.409 . . . . 0.0 110.052 -177.051 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.423 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 4.4 mt-10 -100.18 125.79 46.37 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 113.066 -1.879 . . . . 0.0 110.851 -178.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.621 ' HB2' HD11 ' A' ' 21' ' ' LEU . 26.1 m-85 -124.02 160.51 27.49 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 112.689 -2.05 . . . . 0.0 111.146 -176.05 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.29 61.21 0.6 Allowed 'General case' 0 N--CA 1.489 1.486 0 CA-C-O 122.685 1.231 . . . . 0.0 113.69 -178.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.505 ' O ' HD13 ' A' ' 21' ' ' LEU . 58.5 m -159.36 164.14 34.98 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -178.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -118.35 7.18 11.92 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 115.621 1.711 . . . . 0.0 115.621 174.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -130.69 -51.79 1.06 Allowed 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.119 0.968 . . . . 0.0 112.63 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -47.09 -42.26 18.64 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 117.675 -1.155 . . . . 0.0 112.713 171.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.621 HD11 ' HB2' ' A' ' 15' ' ' PHE . 5.9 mp -65.4 -50.01 67.09 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 176.146 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.54 -49.39 65.21 Favored Glycine 0 N--CA 1.481 1.673 0 O-C-N 124.076 0.86 . . . . 0.0 111.274 178.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.23 -39.59 97.9 Favored Glycine 0 CA--C 1.538 1.522 0 CA-C-N 113.717 -1.242 . . . . 0.0 112.624 172.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.622 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.3 t60 -72.54 -35.19 67.99 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -173.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.554 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 14.3 ttp -66.09 -39.66 90.18 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.099 1.36 . . . . 0.0 112.372 173.321 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -62.96 -39.43 94.66 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.991 174.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.4 OUTLIER -63.66 -14.54 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 176.13 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.554 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 9.3 m-70 -60.26 -83.3 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 176.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? 172.01 91.58 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 126.781 2.033 . . . . 0.0 111.305 178.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -77.56 81.41 4.02 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-O 122.666 1.222 . . . . 0.0 112.182 170.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -100.03 92.96 5.5 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 113.898 -1.501 . . . . 0.0 110.27 176.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.58 142.1 28.3 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 113.768 -1.56 . . . . 0.0 111.195 176.068 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -110.76 178.33 4.39 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 112.932 -1.94 . . . . 0.0 109.202 178.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.81 -142.06 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.074 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.647 170.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 67.95 120.82 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 126.21 1.804 . . . . 0.0 111.761 -170.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 38' ' ' NH2 . 13.9 ttt-85 -114.67 -55.48 2.48 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 113.89 -1.505 . . . . 0.0 112.599 178.627 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 mt -63.53 88.91 0.04 OUTLIER 'General case' 0 C--O 1.27 2.171 0 CA-C-O 116.773 -1.584 . . . . 0.0 113.975 174.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . 0.414 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . . . . . . 0 C--N 1.303 -1.434 1 CA-C-N 92.352 -11.295 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.046 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 7.8 m95 68.8 141.41 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.481 ' HD2' ' HH ' ' A' ' 6' ' ' TYR . 64.3 Cg_endo -66.8 159.23 52.41 Favored 'Trans proline' 0 CA--C 1.544 0.984 0 C-N-CA 124.317 3.345 . . . . 0.0 113.111 175.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -60.4 -31.05 92.17 Favored 'Trans proline' 0 N--CA 1.482 0.839 0 C-N-CA 123.541 2.827 . . . . 0.0 114.7 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -169.87 169.74 8.13 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.544 1.937 . . . . 0.0 107.629 -179.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.52 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 21.4 t 60.98 148.27 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.179 0 O-C-N 124.675 1.234 . . . . 0.0 112.697 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.481 ' HH ' ' HD2' ' A' ' 2' ' ' PRO . 1.5 m-85 -154.35 167.8 28.76 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 113.41 -1.723 . . . . 0.0 112.943 -179.382 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.637 HG23 ' HA ' ' A' ' 12' ' ' LYS . 0.8 OUTLIER -110.91 155.55 22.48 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 112.921 -1.945 . . . . 0.0 108.163 -169.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.64 -13.4 20.35 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -177.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.263 17.7 p 74.39 -56.28 0.64 Allowed 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 128.576 2.75 . . . . 0.0 112.238 -171.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -59.67 -38.51 81.68 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 175.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.6 p -114.25 10.54 17.24 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 118.991 -1.084 . . . . 0.0 108.27 176.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.637 ' HA ' HG23 ' A' ' 7' ' ' THR . 0.2 OUTLIER 27.7 29.75 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 118.609 2.818 . . . . 0.0 118.609 -170.414 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.5 ttm-85 -93.17 133.85 35.94 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 -176.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -80.21 122.52 26.95 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 112.824 -1.989 . . . . 0.0 111.376 176.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.52 ' O ' ' HA ' ' A' ' 5' ' ' SER . 20.8 m-85 -114.1 160.38 18.99 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 112.723 -2.035 . . . . 0.0 111.913 175.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -97.61 26.32 5.1 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-N 113.051 -1.886 . . . . 0.0 114.894 -174.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.1 p -176.96 136.99 0.22 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -175.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.85 -49.06 72.03 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 113.514 -1.675 . . . . 0.0 114.153 -176.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -68.61 -38.84 80.89 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.54 -37.44 70.5 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 117.752 -1.118 . . . . 0.0 111.116 171.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.7 mt -70.69 -47.36 60.27 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 171.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.85 -47.14 48.22 Favored Glycine 0 N--CA 1.483 1.799 0 O-C-N 123.929 0.768 . . . . 0.0 112.201 175.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.06 -43.22 73.61 Favored Glycine 0 CA--C 1.538 1.478 0 CA-C-N 114.226 -0.987 . . . . 0.0 113.733 173.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.61 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.9 t60 -71.74 -35.24 70.07 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -172.059 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.5 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -63.34 -45.3 91.88 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 126.48 1.912 . . . . 0.0 111.029 172.608 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -65.56 -26.99 68.11 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 174.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.61 HG12 ' O ' ' A' ' 24' ' ' HIS 0.259 0.4 OUTLIER -72.5 -12.13 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 172.413 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.5 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 8.8 m-70 -59.25 93.87 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.685 0.794 . . . . 0.0 109.663 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 37.76 62.86 0.85 Allowed 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 123.415 1.579 . . . . 0.0 113.23 -178.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.6 mmt85 -124.79 164.64 19.55 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 113.83 -1.532 . . . . 0.0 113.617 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -164.28 -45.26 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 112.998 -1.91 . . . . 0.0 111.19 -179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 46.24 73.5 0.17 Allowed 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 125.754 1.622 . . . . 0.0 112.952 177.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 46.52 91.28 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 113.376 -1.738 . . . . 0.0 112.543 -170.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -35.05 -51.06 0.52 Allowed 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 115.043 1.497 . . . . 0.0 115.043 -174.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.631 ' HG ' ' HG2' ' A' ' 36' ' ' ARG . 15.5 tp 65.84 -75.99 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.794 1.638 . . . . 0.0 111.631 178.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.631 ' HG2' ' HG ' ' A' ' 35' ' ' LEU . 12.0 ptt180 -176.11 110.88 0.1 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 127.276 2.231 . . . . 0.0 109.493 -176.28 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.941 HD21 ' HN1' ' A' ' 38' ' ' NH2 . 0.2 OUTLIER -165.32 164.59 19.81 Favored 'General case' 0 C--O 1.27 2.154 0 CA-C-N 114.824 -1.08 . . . . 0.0 113.909 178.097 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . 0.941 ' HN1' HD21 ' A' ' 37' ' ' LEU . . . . . . . . 0 C--N 1.303 -1.421 1 CA-C-N 56.447 -27.615 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.048 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 172.17 140.23 0.11 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 108.005 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -63.13 150.29 89.03 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 122.963 2.442 . . . . 0.0 111.895 175.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.64 ' HA ' ' HH ' ' A' ' 6' ' ' TYR . 97.7 Cg_endo -71.75 -166.74 0.26 Allowed 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 122.63 2.22 . . . . 0.0 110.924 170.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? 61.21 92.89 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 125.482 1.513 . . . . 0.0 111.946 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 5.5 p 57.25 151.85 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 112.712 -2.04 . . . . 0.0 113.416 -172.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.64 ' HH ' ' HA ' ' A' ' 3' ' ' PRO . 92.4 m-85 -139.72 159.93 41.05 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 114.064 -1.425 . . . . 0.0 112.467 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.622 HG23 ' H ' ' A' ' 9' ' ' SER . 8.4 m -100.17 154.94 18.04 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 113.295 -1.775 . . . . 0.0 109.433 -175.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.68 -12.4 19.19 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -177.208 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.622 ' H ' HG23 ' A' ' 7' ' ' THR . 22.2 p 73.56 -53.06 0.7 Allowed 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 129.492 3.117 . . . . 0.0 112.449 -171.222 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.47 -37.38 87.09 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 177.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.8 p -108.81 9.49 26.81 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 173.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 29.71 27.48 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 118.115 2.635 . . . . 0.0 118.115 -171.052 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.413 ' O ' ' HA ' ' A' ' 7' ' ' THR . 1.5 mtp-105 -102.93 148.83 25.17 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.141 1.376 . . . . 0.0 110.796 -174.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -95.33 121.31 36.86 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 112.578 -2.101 . . . . 0.0 113.158 -177.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.45 ' O ' ' HA ' ' A' ' 5' ' ' SER . 7.4 m-85 -111.0 162.1 15.19 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 112.052 -2.34 . . . . 0.0 112.075 178.051 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -111.27 40.85 1.98 Allowed 'General case' 0 N--CA 1.484 1.243 0 CA-C-N 113.468 -1.696 . . . . 0.0 114.772 -176.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.558 ' OG ' ' HB3' ' A' ' 20' ' ' ALA . 15.0 p -176.76 137.37 0.25 Allowed 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 -178.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.24 -54.27 31.89 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 114.137 -1.392 . . . . 0.0 113.751 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -68.1 -43.64 77.99 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -178.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.558 ' HB3' ' OG ' ' A' ' 17' ' ' SER . . . -69.81 -2.12 11.24 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 173.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.408 ' CD1' ' HB2' ' A' ' 6' ' ' TYR . 6.1 mt -93.22 -50.39 5.51 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 158.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.29 -49.59 55.84 Favored Glycine 0 N--CA 1.484 1.889 0 O-C-N 123.843 0.714 . . . . 0.0 112.072 176.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.23 -39.76 96.27 Favored Glycine 0 CA--C 1.537 1.455 0 CA-C-N 113.877 -1.162 . . . . 0.0 112.784 173.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.626 ' O ' HG12 ' A' ' 27' ' ' VAL . 3.0 t60 -70.25 -35.65 73.93 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -175.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.574 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 21.1 ttm -63.94 -41.09 97.71 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.365 1.466 . . . . 0.0 112.066 173.041 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -60.82 -40.0 91.13 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 173.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.626 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -64.7 -10.53 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 176.506 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.574 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 7.3 m-70 -63.34 -22.57 66.96 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 177.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 34.6 ttt85 66.52 71.75 0.39 Allowed 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 124.029 1.871 . . . . 0.0 110.641 178.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.96 171.42 8.11 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 111.961 -2.381 . . . . 0.0 111.543 176.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 40.5 t0 65.23 79.65 0.25 Allowed 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 125.743 1.617 . . . . 0.0 110.993 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -133.09 117.29 17.36 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 113.493 -1.685 . . . . 0.0 110.469 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 62.18 -59.74 0.12 Allowed 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 127.528 2.331 . . . . 0.0 114.55 -177.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -163.96 -47.59 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.472 1.909 . . . . 0.0 112.782 176.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.6 mt 50.85 -171.76 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.301 1.04 . . . . 0.0 113.007 -175.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.31 -46.33 16.34 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 115.56 -0.745 . . . . 0.0 112.727 175.081 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.4 mt 52.38 121.83 0.0 OUTLIER 'General case' 0 C--O 1.27 2.172 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 -175.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.43 1 CA-C-N 100.022 -7.808 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.003 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -174.5 132.26 0.5 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.615 1.197 . . . . 0.0 108.013 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -68.59 162.5 40.69 Favored 'Trans proline' 0 CA--C 1.545 1.05 0 C-N-CA 124.255 3.303 . . . . 0.0 113.626 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -63.69 -21.35 69.94 Favored 'Trans proline' 0 N--CA 1.484 0.934 0 C-N-CA 123.877 3.051 . . . . 0.0 114.77 172.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.16 169.75 0.16 Allowed 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.712 1.605 . . . . 0.0 112.85 170.373 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.7 m -44.42 146.42 0.7 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.713 1.205 . . . . 0.0 114.03 175.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -114.49 142.71 46.04 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 113.871 -1.513 . . . . 0.0 111.616 -173.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.603 HG23 ' H ' ' A' ' 9' ' ' SER . 8.1 m -86.58 155.62 20.38 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 125.907 1.683 . . . . 0.0 109.715 -176.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.93 -8.93 19.29 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -177.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.603 ' H ' HG23 ' A' ' 7' ' ' THR . 18.9 p 73.92 -54.18 0.68 Allowed 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 129.219 3.008 . . . . 0.0 112.246 -171.066 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.74 -46.97 76.86 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 178.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.9 p -96.98 7.81 45.84 Favored 'General case' 0 C--N 1.343 0.324 0 C-N-CA 118.9 -1.12 . . . . 0.0 108.305 174.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.0 pttt 34.33 20.31 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 117.034 2.235 . . . . 0.0 117.034 -170.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' A' ' 7' ' ' THR . 3.1 ttm-85 -95.26 136.34 35.73 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.68 0.752 . . . . 0.0 109.689 -172.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -84.05 120.88 26.67 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 112.855 -1.975 . . . . 0.0 110.385 178.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.585 ' HB2' HD11 ' A' ' 21' ' ' LEU . 81.6 m-85 -116.76 144.2 44.75 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 114.434 -1.257 . . . . 0.0 112.256 178.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.5 ttp85 -85.67 38.11 0.73 Allowed 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 113.883 -1.508 . . . . 0.0 113.578 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.5 m -149.1 177.19 9.82 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.101 -178.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -122.38 -63.79 1.25 Allowed 'General case' 0 N--CA 1.481 1.08 0 O-C-N 124.023 0.827 . . . . 0.0 112.658 175.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -60.16 -36.54 77.79 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 178.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.41 -34.57 64.51 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 118.373 -0.822 . . . . 0.0 112.345 170.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.585 HD11 ' HB2' ' A' ' 15' ' ' PHE . 8.3 mp -80.31 -44.86 18.83 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.722 1.209 . . . . 0.0 113.252 -178.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.63 -51.9 36.24 Favored Glycine 0 N--CA 1.484 1.848 0 O-C-N 124.496 1.122 . . . . 0.0 110.892 173.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.49 -39.46 97.71 Favored Glycine 0 CA--C 1.54 1.632 0 CA-C-N 113.557 -1.322 . . . . 0.0 113.311 173.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.633 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.1 t60 -73.49 -37.5 65.69 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -173.104 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.611 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 8.9 ttp -65.58 -38.54 89.82 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.72 1.208 . . . . 0.0 111.506 173.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -61.74 -32.62 72.87 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 171.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.633 HG12 ' O ' ' A' ' 24' ' ' HIS 0.264 0.3 OUTLIER -67.6 -15.68 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 174.901 . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.611 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 8.1 m-70 -62.93 96.67 0.09 Allowed 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.479 0.712 . . . . 0.0 109.618 -178.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 52.54 45.55 28.38 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-O 123.479 1.609 . . . . 0.0 112.796 174.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -134.46 161.53 34.77 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 114.483 -1.235 . . . . 0.0 111.358 -177.63 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.6 t70 69.7 92.96 0.08 Allowed 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 126.636 1.974 . . . . 0.0 112.271 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.2 mtp180 -119.71 88.84 3.01 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 114.329 -1.305 . . . . 0.0 110.739 177.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -137.32 148.28 46.21 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 112.815 -1.993 . . . . 0.0 109.99 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.32 90.76 2.65 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 123.903 0.752 . . . . 0.0 110.379 178.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 mt 54.84 103.83 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -178.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -60.98 -55.46 32.62 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 179.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.81 49.95 1.57 Allowed 'General case' 0 C--O 1.27 2.138 0 CA-C-O 116.661 -1.638 . . . . 0.0 112.766 177.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.445 1 CA-C-N 47.701 -31.591 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.052 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 52.6 m0 65.89 91.72 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.17 . . . . 0.0 108.056 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.607 ' HG2' ' HB3' ' A' ' 5' ' ' SER . 90.4 Cg_endo -71.13 157.92 56.28 Favored 'Trans proline' 0 CA--C 1.545 1.063 0 C-N-CA 124.353 3.368 . . . . 0.0 113.503 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -64.04 151.57 84.73 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 122.893 2.395 . . . . 0.0 112.081 175.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 51.2 mtt85 53.18 24.94 3.94 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 116.174 1.916 . . . . 0.0 116.174 -175.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.607 ' HB3' ' HG2' ' A' ' 2' ' ' PRO . 32.2 t -158.62 140.91 14.09 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 113.853 -1.521 . . . . 0.0 109.14 -173.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.435 ' O ' ' HA ' ' A' ' 14' ' ' GLU . 57.8 m-85 -147.37 168.49 21.69 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 113.843 -1.526 . . . . 0.0 112.392 176.367 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.497 HG23 ' HA ' ' A' ' 12' ' ' LYS . 2.2 m -101.49 152.35 20.87 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 112.794 -2.003 . . . . 0.0 108.284 -174.14 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.36 -11.46 27.72 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 -177.207 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.9 p 73.71 -53.14 0.69 Allowed 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 129.478 3.111 . . . . 0.0 112.294 -171.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.58 -42.29 95.71 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 177.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 32.1 p -108.81 10.86 26.54 Favored 'General case' 0 C--N 1.342 0.276 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 173.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.497 ' HA ' HG23 ' A' ' 7' ' ' THR . 23.7 pttt 32.55 26.89 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 117.598 2.444 . . . . 0.0 117.598 -172.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -101.08 137.25 39.7 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.591 0.756 . . . . 0.0 109.999 -172.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 1.8 mt-10 -82.8 122.69 28.53 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 112.932 -1.94 . . . . 0.0 114.0 -178.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.568 ' O ' ' HA ' ' A' ' 5' ' ' SER . 11.5 m-85 -110.89 155.41 22.66 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 111.44 -2.618 . . . . 0.0 111.268 178.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.65 38.35 2.18 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-N 114.328 -1.305 . . . . 0.0 113.044 -178.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.501 ' OG ' ' HB3' ' A' ' 20' ' ' ALA . 30.5 p -169.65 139.18 1.98 Allowed 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 115.295 -0.866 . . . . 0.0 113.187 -174.074 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.47 -58.15 4.34 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 114.427 -1.261 . . . . 0.0 113.396 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.93 -48.21 77.46 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.501 ' HB3' ' OG ' ' A' ' 17' ' ' SER . . . -71.38 2.52 4.77 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 174.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.491 ' HB2' ' O ' ' A' ' 17' ' ' SER . 3.1 tt -101.07 -51.11 3.61 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.303 0.641 . . . . 0.0 110.87 165.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.46 -48.49 75.74 Favored Glycine 0 N--CA 1.484 1.887 0 O-C-N 123.473 0.483 . . . . 0.0 112.373 175.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.82 -38.31 95.95 Favored Glycine 0 CA--C 1.537 1.451 0 CA-C-N 114.366 -0.917 . . . . 0.0 112.48 173.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.61 ' O ' HG12 ' A' ' 27' ' ' VAL . 3.5 t60 -69.67 -36.37 75.97 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -178.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.555 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 2.7 ttp -64.55 -39.32 93.53 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.801 1.24 . . . . 0.0 112.355 172.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -64.54 -35.73 81.93 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 174.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.61 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.5 OUTLIER -68.08 -9.03 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 174.12 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.555 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 8.3 m-70 -63.0 168.22 4.19 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 176.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -178.16 121.23 0.1 Allowed 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.909 1.284 . . . . 0.0 109.458 -178.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 60.01 166.45 0.07 Allowed 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 122.289 1.043 . . . . 0.0 113.255 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -103.86 130.45 51.44 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.455 178.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.6 ptt85 -160.97 156.3 24.61 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 113.37 -1.741 . . . . 0.0 110.27 176.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.05 -178.33 0.1 Allowed 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.671 170.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.4 ttt180 -66.25 -133.4 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.081 0 O-C-N 122.195 -0.316 . . . . 0.0 111.749 175.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 61.74 54.2 2.99 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-O 123.084 1.421 . . . . 0.0 113.006 -173.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? -73.31 153.53 40.51 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 113.956 -1.474 . . . . 0.0 109.815 175.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.2 tt 68.64 44.6 1.17 Allowed 'General case' 0 C--O 1.27 2.158 0 C-N-CA 124.887 1.275 . . . . 0.0 113.789 -177.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.458 1 CA-C-N 24.355 -42.202 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.638 ' O ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.229 -0.001 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.486 ' HA ' ' HD2' ' A' ' 2' ' ' PRO . 86.9 m95 -40.2 98.12 0.16 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 107.987 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.638 ' HD3' ' O ' ' A' ' 0' ' ' ACE . 95.0 Cg_endo -69.09 150.02 71.82 Favored 'Trans proline' 0 CA--C 1.543 0.96 0 C-N-CA 123.839 3.026 . . . . 0.0 112.579 177.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -70.3 -42.62 2.72 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 123.152 2.568 . . . . 0.0 114.1 175.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -84.39 121.18 27.18 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.044 0.538 . . . . 0.0 110.629 175.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.8 m 56.63 164.64 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.128 0 O-C-N 125.219 1.574 . . . . 0.0 112.573 -177.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -130.33 145.63 51.81 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 115.12 -0.945 . . . . 0.0 113.268 173.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.562 HG21 ' HA ' ' A' ' 12' ' ' LYS . 32.2 m -86.8 151.22 23.55 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 113.247 -1.797 . . . . 0.0 110.307 176.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.8 -13.96 18.21 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 114.894 -1.048 . . . . 0.0 108.374 -175.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.561 ' H ' HG23 ' A' ' 7' ' ' THR . 21.3 p 76.25 -52.49 0.61 Allowed 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 129.935 3.294 . . . . 0.0 111.967 -172.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.82 -37.21 85.62 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 178.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.7 p -108.02 5.68 26.35 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 171.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.562 ' HA ' HG21 ' A' ' 7' ' ' THR . 12.5 ptmt 34.63 22.87 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 117.74 2.496 . . . . 0.0 117.74 -170.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.69 135.42 41.13 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 114.437 -1.256 . . . . 0.0 110.296 -172.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -83.41 118.68 23.89 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 111.429 -2.623 . . . . 0.0 110.535 -178.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.514 ' HB2' HD11 ' A' ' 21' ' ' LEU . 72.7 m-85 -115.3 140.83 48.77 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 113.909 -1.496 . . . . 0.0 112.044 178.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.5 ttp180 -86.88 46.72 1.4 Allowed 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 113.692 -1.595 . . . . 0.0 112.526 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.8 m -155.56 -178.89 7.6 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.948 -179.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -126.87 -61.81 1.15 Allowed 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.641 175.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -60.04 -41.14 91.64 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.3 -29.83 58.99 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 114.978 -1.01 . . . . 0.0 113.201 171.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.514 HD11 ' HB2' ' A' ' 15' ' ' PHE . 8.3 mp -85.46 -44.98 12.26 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.664 1.186 . . . . 0.0 113.388 -177.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.1 -49.82 48.08 Favored Glycine 0 N--CA 1.482 1.741 0 O-C-N 124.48 1.113 . . . . 0.0 110.77 172.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.32 -40.89 99.48 Favored Glycine 0 CA--C 1.539 1.588 0 CA-C-N 113.574 -1.313 . . . . 0.0 113.322 172.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.631 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.2 t60 -72.82 -36.78 67.59 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -172.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.557 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 1.4 tmm? -64.52 -37.67 88.36 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.412 1.485 . . . . 0.0 111.97 173.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -65.78 -35.07 79.66 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 174.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.631 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.4 OUTLIER -67.11 -12.74 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 N-CA-C 114.552 1.316 . . . . 0.0 114.552 174.02 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.557 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 8.5 m-70 -62.57 160.12 14.51 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 177.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -171.98 54.34 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 CA-C-O 122.958 1.361 . . . . 0.0 114.144 178.251 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.471 ' HG2' ' HG3' ' A' ' 32' ' ' ARG . 19.4 ttt180 -134.79 108.29 7.88 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.279 -0.873 . . . . 0.0 113.121 -175.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -78.79 -53.14 7.41 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 114.386 -1.279 . . . . 0.0 112.543 176.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.471 ' HG3' ' HG2' ' A' ' 30' ' ' ARG . 79.2 mtm180 57.06 157.99 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 125.344 1.458 . . . . 0.0 114.238 -175.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -106.2 64.78 0.68 Allowed 'General case' 0 N--CA 1.477 0.898 0 CA-C-O 122.706 1.241 . . . . 0.0 110.361 177.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.14 -32.83 17.3 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 113.174 -1.83 . . . . 0.0 115.436 178.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.1 mt 59.82 92.73 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 125.576 1.55 . . . . 0.0 111.886 177.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 48.87 39.73 14.94 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 117.167 2.284 . . . . 0.0 117.167 178.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mt -147.35 94.52 2.4 Favored 'General case' 0 C--O 1.27 2.155 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -176.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.413 0 CA-C-N 116.587 -0.278 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.017 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -149.25 93.09 4.17 Favored Pre-proline 0 C--N 1.327 -0.409 0 O-C-N 124.59 1.181 . . . . 0.0 107.946 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -71.81 158.59 52.7 Favored 'Trans proline' 0 CA--C 1.543 0.968 0 C-N-CA 124.478 3.452 . . . . 0.0 112.591 177.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -67.67 -48.0 1.74 Allowed 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 123.007 2.471 . . . . 0.0 114.433 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.6 ptt180 -72.03 114.01 9.68 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.216 1.406 . . . . 0.0 111.741 176.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.2 m 55.82 158.51 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 114.956 -1.02 . . . . 0.0 112.945 -173.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -135.59 147.3 48.64 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 114.834 -1.075 . . . . 0.0 113.789 174.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.666 HG23 ' H ' ' A' ' 9' ' ' SER . 96.9 m -81.14 151.08 28.43 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 113.938 -1.483 . . . . 0.0 111.323 175.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.67 -15.78 18.42 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -177.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.666 ' H ' HG23 ' A' ' 7' ' ' THR 0.265 16.0 p 76.25 -56.55 0.57 Allowed 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 128.665 2.786 . . . . 0.0 112.146 -172.065 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -57.86 -37.79 74.54 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.714 1.375 . . . . 0.0 114.714 175.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.0 p -113.84 12.66 18.26 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 118.46 -1.296 . . . . 0.0 108.265 177.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.514 ' HA ' HG21 ' A' ' 7' ' ' THR . 0.0 OUTLIER 32.43 23.13 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 117.876 2.547 . . . . 0.0 117.876 -171.563 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.499 ' O ' ' HA ' ' A' ' 7' ' ' THR . 2.9 mtp-105 -99.03 146.57 25.91 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.731 1.213 . . . . 0.0 112.032 -173.187 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -89.12 115.64 26.79 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 112.297 -2.229 . . . . 0.0 111.546 -178.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.747 ' HB2' HD12 ' A' ' 21' ' ' LEU . 24.7 m-85 -106.45 138.2 43.07 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 114.019 -1.446 . . . . 0.0 111.651 173.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.4 ptt-85 -93.47 28.42 2.27 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 113.296 -1.775 . . . . 0.0 113.056 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.6 p -147.36 138.93 24.0 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -171.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.04 -73.02 0.19 Allowed 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 114.835 -1.075 . . . . 0.0 112.989 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -59.85 -48.83 80.09 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.012 0.925 . . . . 0.0 112.497 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.42 -4.79 8.95 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 115.875 1.806 . . . . 0.0 115.875 177.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.747 HD12 ' HB2' ' A' ' 15' ' ' PHE . 6.4 tt -99.68 -52.86 3.34 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 118.517 -0.754 . . . . 0.0 111.308 163.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.78 -48.44 56.83 Favored Glycine 0 N--CA 1.483 1.831 0 CA-C-O 121.518 0.51 . . . . 0.0 112.099 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.71 -36.93 93.73 Favored Glycine 0 CA--C 1.537 1.437 0 CA-C-N 113.492 -1.354 . . . . 0.0 112.61 171.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.644 ' O ' HG12 ' A' ' 27' ' ' VAL . 1.7 t60 -69.58 -35.94 75.81 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 117.893 0.846 . . . . 0.0 109.592 -177.328 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.49 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 9.3 ttt -62.73 -42.11 99.5 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.35 1.46 . . . . 0.0 111.971 173.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -66.75 -29.27 69.2 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 174.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.644 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -66.99 -15.02 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 172.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.49 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 13.2 m-70 -63.14 101.93 0.33 Allowed 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 178.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -178.41 72.95 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 124.97 1.308 . . . . 0.0 113.948 171.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.34 137.77 0.1 Allowed 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 126.085 1.754 . . . . 0.0 110.938 175.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 52.06 18.81 0.89 Allowed 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 115.56 1.689 . . . . 0.0 115.56 -172.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -130.69 113.15 13.8 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.845 1.258 . . . . 0.0 108.737 -176.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -164.22 165.77 21.69 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 113.721 -1.582 . . . . 0.0 109.725 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.26 -48.08 0.67 Allowed 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 127.136 2.174 . . . . 0.0 113.284 178.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.0 mt 71.17 94.68 0.07 Allowed 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 127.288 2.235 . . . . 0.0 112.119 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.76 85.21 6.14 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 114.678 -1.146 . . . . 0.0 110.368 179.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 46.21 55.89 6.8 Favored 'General case' 0 C--O 1.27 2.149 0 N-CA-C 116.229 1.937 . . . . 0.0 116.229 176.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.446 0 CA-C-N 113.392 -1.731 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.036 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 31.3 t-105 -173.72 72.37 0.36 Allowed Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -72.62 165.9 31.4 Favored 'Trans proline' 0 CA--C 1.545 1.075 0 C-N-CA 123.873 3.049 . . . . 0.0 112.224 -178.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -70.15 -24.32 28.0 Favored 'Trans proline' 0 CA--C 1.543 0.947 0 C-N-CA 123.162 2.575 . . . . 0.0 115.205 171.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 44.6 mmt-85 -51.05 178.92 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 125.516 1.526 . . . . 0.0 113.941 172.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.1 p -57.06 150.37 17.26 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.355 174.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -119.75 146.83 45.29 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 114.052 -1.431 . . . . 0.0 111.84 -175.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.588 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 29.7 m -93.91 154.54 17.64 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 113.88 -1.509 . . . . 0.0 111.039 178.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.34 -16.81 16.79 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 -175.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.56 ' H ' HG23 ' A' ' 7' ' ' THR . 20.9 p 76.42 -52.6 0.6 Allowed 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 129.837 3.255 . . . . 0.0 112.138 -172.446 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.99 -40.44 94.96 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 115.019 1.489 . . . . 0.0 115.019 178.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.5 p -109.29 12.52 24.76 Favored 'General case' 0 C--N 1.343 0.292 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 172.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.45 ' HA ' HG21 ' A' ' 7' ' ' THR . 4.5 pttm 34.61 14.97 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 118.566 2.802 . . . . 0.0 118.566 -170.051 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.588 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -80.83 150.25 29.22 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.706 1.202 . . . . 0.0 110.101 -172.577 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -106.63 118.08 35.72 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 112.991 -1.913 . . . . 0.0 109.919 -176.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.488 ' HB2' HD11 ' A' ' 21' ' ' LEU . 35.3 m-85 -121.94 155.56 35.25 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 113.033 -1.894 . . . . 0.0 111.977 -176.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -108.08 56.61 0.63 Allowed 'General case' 0 N--CA 1.487 1.382 0 CA-C-N 113.092 -1.867 . . . . 0.0 113.003 -175.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.535 ' O ' HD13 ' A' ' 21' ' ' LEU . 58.8 m -162.44 163.69 27.53 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.726 -176.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -121.36 18.6 11.42 Favored 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 115.208 1.559 . . . . 0.0 115.208 176.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.567 ' HG3' ' H ' ' A' ' 20' ' ' ALA . 21.7 pt20 -134.52 -57.25 0.84 Allowed 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.926 0.89 . . . . 0.0 112.628 -176.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.567 ' H ' ' HG3' ' A' ' 19' ' ' GLN . . . -48.91 -37.0 18.51 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 114.52 -1.218 . . . . 0.0 112.78 171.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.535 HD13 ' O ' ' A' ' 17' ' ' SER . 7.2 mp -68.89 -51.09 43.92 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 177.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.62 -49.45 65.3 Favored Glycine 0 N--CA 1.481 1.65 0 O-C-N 124.332 1.02 . . . . 0.0 111.198 177.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.07 -42.23 99.72 Favored Glycine 0 CA--C 1.539 1.542 0 CA-C-N 114.005 -1.097 . . . . 0.0 112.933 173.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.605 ' O ' HG12 ' A' ' 27' ' ' VAL . 3.2 t60 -72.4 -37.58 68.64 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -174.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.563 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 4.0 tmm? -65.13 -38.03 89.34 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.366 1.467 . . . . 0.0 111.884 174.192 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -66.63 -35.35 79.97 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 174.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.605 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.9 OUTLIER -65.68 -16.67 20.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 173.46 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.563 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 7.9 m-70 -57.49 139.12 54.16 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 178.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 45.89 20.67 0.08 Allowed 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -177.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -124.55 139.79 53.55 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 122.869 1.318 . . . . 0.0 111.279 -171.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -175.16 160.2 2.68 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 112.185 -2.279 . . . . 0.0 109.458 -175.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 48.1 mtm180 66.82 114.55 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.227 0 O-C-N 125.69 1.869 . . . . 0.0 111.705 -178.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -110.87 143.56 41.29 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 113.595 -1.638 . . . . 0.0 110.407 -177.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -74.29 -56.94 4.3 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 114.544 -1.207 . . . . 0.0 113.303 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.3 pp 34.96 60.4 0.66 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 125.623 1.569 . . . . 0.0 115.194 -175.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -50.04 -47.04 53.51 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 114.512 -1.222 . . . . 0.0 113.95 -173.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.5 tp -171.37 1.02 0.01 OUTLIER 'General case' 0 C--O 1.27 2.175 0 CA-C-O 117.4 -1.286 . . . . 0.0 111.958 173.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.442 1 CA-C-N 89.107 -12.77 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.017 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.425 ' HA ' ' HD2' ' A' ' 2' ' ' PRO . 14.4 p-90 -115.6 92.77 34.58 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 108.019 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 1' ' ' TRP . 97.3 Cg_endo -72.63 157.83 51.73 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 C-N-CA 124.359 3.373 . . . . 0.0 113.026 179.314 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -63.29 147.11 94.02 Favored 'Trans proline' 0 CA--C 1.537 0.652 0 C-N-CA 122.583 2.189 . . . . 0.0 112.249 174.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 51.6 mtt-85 49.59 37.54 12.76 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 115.702 1.741 . . . . 0.0 115.702 -177.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.84 145.63 3.66 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 114.845 -1.07 . . . . 0.0 112.325 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -130.31 138.82 50.65 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 113.669 -1.605 . . . . 0.0 114.033 175.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.45 HG23 ' H ' ' A' ' 9' ' ' SER . 3.0 m -85.59 154.71 21.54 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 112.611 -2.086 . . . . 0.0 108.78 -178.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.22 -11.49 18.72 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -178.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.45 ' H ' HG23 ' A' ' 7' ' ' THR 0.263 18.1 p 74.3 -57.0 0.63 Allowed 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 128.555 2.742 . . . . 0.0 112.096 -171.26 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -58.58 -36.81 74.56 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 175.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.7 p -113.45 10.24 18.22 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 119.03 -1.068 . . . . 0.0 108.259 177.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt 32.32 24.46 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 117.415 2.376 . . . . 0.0 117.415 -171.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.3 ttm-85 -101.15 131.4 47.12 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 122.015 0.912 . . . . 0.0 108.559 -172.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -81.66 118.3 22.7 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 111.243 -2.708 . . . . 0.0 110.956 -177.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -113.79 136.8 52.46 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 113.391 -1.731 . . . . 0.0 112.104 177.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.8 ptt180 -83.27 37.89 0.58 Allowed 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 113.469 -1.696 . . . . 0.0 111.887 173.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.4 m -139.68 159.32 42.45 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 114.047 -1.433 . . . . 0.0 112.243 -170.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.66 -75.12 0.59 Allowed 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 113.943 -1.481 . . . . 0.0 110.85 175.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? -61.7 -43.2 99.3 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -178.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.83 -41.29 86.53 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 172.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -74.74 -39.78 61.65 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.517 0.727 . . . . 0.0 112.765 178.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.19 -47.61 80.31 Favored Glycine 0 N--CA 1.482 1.747 0 O-C-N 123.794 0.684 . . . . 0.0 111.784 172.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.66 -37.09 92.92 Favored Glycine 0 N--CA 1.48 1.63 0 CA-C-N 114.768 -0.716 . . . . 0.0 112.925 172.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.63 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.2 t60 -72.12 -36.9 69.55 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -174.128 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.53 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 9.5 ttp -62.27 -41.75 98.75 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.334 1.054 . . . . 0.0 112.123 172.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -70.16 -22.93 62.92 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 175.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.63 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.4 OUTLIER -72.55 -14.91 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 170.115 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.53 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 11.1 m-70 -60.52 95.22 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.39 0.676 . . . . 0.0 109.648 179.245 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.419 ' O ' ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 40.87 43.63 1.76 Allowed 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 125.625 1.57 . . . . 0.0 112.224 -178.097 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.67 158.62 43.67 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.126 -171.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 65.66 137.75 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 125.851 1.66 . . . . 0.0 110.162 -171.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 67.56 -60.02 0.4 Allowed 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 126.051 1.741 . . . . 0.0 111.48 -176.32 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 56.27 -163.51 0.16 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.73 2.412 . . . . 0.0 111.108 -175.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -141.45 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 122.734 0.414 . . . . 0.0 111.689 170.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 64.25 175.49 0.18 Allowed 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 125.003 1.321 . . . . 0.0 111.424 -178.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -165.43 107.03 0.77 Allowed 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.552 1.141 . . . . 0.0 110.481 177.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 tt 65.85 56.64 0.87 Allowed 'General case' 0 C--O 1.27 2.173 0 CA-C-N 114.016 -1.447 . . . . 0.0 114.854 -179.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.432 1 CA-C-N 72.287 -20.415 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 120.942 0.401 . . . . 0.0 110.115 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.44 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 2.1 m -112.28 155.15 24.55 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.937 1.295 . . . . 0.0 109.512 -173.653 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.44 -10.09 22.62 Favored 'General case' 0 C--N 1.344 0.35 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -178.229 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.0 p 73.77 -54.93 0.68 Allowed 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 129.489 3.116 . . . . 0.0 112.336 -171.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.86 -33.71 74.67 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 176.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.8 p -113.11 8.51 18.33 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 174.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.0 pttt 30.01 25.9 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 117.432 2.382 . . . . 0.0 117.432 -171.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.44 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -95.26 130.93 41.83 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.338 1.055 . . . . 0.0 108.864 -174.299 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -80.34 121.63 25.92 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 112.43 -2.168 . . . . 0.0 112.46 175.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.749 ' HB2' HD11 ' A' ' 21' ' ' LEU . 67.0 m-85 -119.85 157.17 29.24 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 113.024 -1.898 . . . . 0.0 110.712 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.3 mtm105 -103.45 40.33 1.43 Allowed 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 114.769 -1.105 . . . . 0.0 113.961 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.4 m -139.15 178.2 7.35 Favored 'General case' 0 N--CA 1.484 1.23 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.29 -174.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -124.16 -65.48 1.05 Allowed 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 120.802 0.334 . . . . 0.0 111.683 170.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -61.34 -37.31 82.82 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 115.161 -0.927 . . . . 0.0 113.145 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.54 -39.48 76.72 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 116.996 -1.478 . . . . 0.0 112.588 171.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.749 HD11 ' HB2' ' A' ' 15' ' ' PHE . 4.9 mp -68.78 -46.15 69.47 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 175.19 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.25 -51.81 39.8 Favored Glycine 0 N--CA 1.484 1.837 0 O-C-N 124.514 1.134 . . . . 0.0 111.213 175.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.98 -39.21 97.79 Favored Glycine 0 CA--C 1.539 1.547 0 CA-C-N 113.837 -1.182 . . . . 0.0 113.126 173.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.605 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.0 t-80 -72.53 -34.81 67.83 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 -172.767 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 17.6 ttt -64.9 -41.13 95.85 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.874 1.27 . . . . 0.0 111.96 173.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -65.94 -31.4 72.3 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 174.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.605 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.5 OUTLIER -68.95 -14.17 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 N-CA-C 114.212 1.189 . . . . 0.0 114.212 173.742 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 42.5 m170 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.437 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 . . . . . 0 N--CA 1.476 0.86 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.514 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 70.5 p -73.84 162.94 28.58 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 113.394 -1.73 . . . . 0.0 110.545 176.564 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.71 -2.92 27.3 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.6 p 68.83 -54.85 0.55 Allowed 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 128.736 2.815 . . . . 0.0 113.057 -168.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.27 -44.79 86.93 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 179.096 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.7 p -108.25 9.05 28.09 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 174.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 pttp 33.94 22.35 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 116.963 2.209 . . . . 0.0 116.963 -170.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.514 ' O ' ' HA ' ' A' ' 7' ' ' THR . 6.2 ttt-85 -81.11 133.36 35.46 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.862 0.865 . . . . 0.0 109.687 -174.357 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -78.85 111.01 14.57 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 112.684 -2.053 . . . . 0.0 111.835 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.565 ' HB2' HD12 ' A' ' 21' ' ' LEU . 89.7 m-85 -109.73 133.88 52.63 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 114.122 -1.399 . . . . 0.0 111.106 176.604 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.4 ttm-85 -84.99 44.46 1.08 Allowed 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 123.272 1.511 . . . . 0.0 110.362 173.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.413 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 4.6 m -148.89 160.69 43.02 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 114.348 -1.296 . . . . 0.0 112.782 -172.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -116.04 -68.49 0.92 Allowed 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 114.614 -1.175 . . . . 0.0 111.558 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.424 ' H ' ' CD ' ' A' ' 19' ' ' GLN . 3.7 pm0 -53.45 -49.26 67.77 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 113.391 0.885 . . . . 0.0 113.391 174.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.413 ' HB3' ' HB3' ' A' ' 17' ' ' SER . . . -62.88 -26.99 69.05 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 114.432 -1.258 . . . . 0.0 113.631 176.62 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.565 HD12 ' HB2' ' A' ' 15' ' ' PHE . 5.2 tt -82.14 -52.01 7.41 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.062 0.945 . . . . 0.0 111.05 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.34 -47.25 83.94 Favored Glycine 0 N--CA 1.481 1.679 0 O-C-N 123.683 0.614 . . . . 0.0 112.212 177.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.36 -37.57 94.29 Favored Glycine 0 CA--C 1.539 1.549 0 CA-C-N 114.715 -0.743 . . . . 0.0 112.879 172.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.603 ' O ' HG12 ' A' ' 27' ' ' VAL . 1.7 t-80 -72.2 -35.18 68.87 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -174.465 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -42.97 99.47 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.071 1.748 . . . . 0.0 112.076 171.447 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -65.58 -36.15 82.91 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.361 0.664 . . . . 0.0 112.695 176.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.603 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.5 OUTLIER -66.56 -12.21 14.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 175.685 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 35.4 m170 . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 176.582 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.514 ' HB3' HD22 ' A' ' 21' ' ' LEU . 2.6 m-85 . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.505 HG22 ' H ' ' A' ' 9' ' ' SER . 3.0 m -108.69 156.01 20.07 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.313 1.445 . . . . 0.0 109.77 -177.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.34 -8.26 23.57 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -178.176 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.505 ' H ' HG22 ' A' ' 7' ' ' THR . 21.4 p 72.92 -52.05 0.71 Allowed 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 129.608 3.163 . . . . 0.0 112.546 -170.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.409 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.3 OUTLIER -68.41 -45.09 73.59 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.7 p -95.7 3.47 53.87 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 172.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt 34.38 23.84 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 117.999 2.592 . . . . 0.0 117.999 -172.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.5 mtp85 -97.04 129.97 44.41 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.478 1.111 . . . . 0.0 110.437 -177.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -70.43 123.61 22.17 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 110.552 -3.022 . . . . 0.0 111.796 173.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.691 ' HB2' HD11 ' A' ' 21' ' ' LEU . 69.9 m-85 -121.27 166.7 13.64 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 113.325 -1.761 . . . . 0.0 110.245 176.424 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -107.28 31.62 5.25 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 -177.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.0 m -140.27 178.37 7.34 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.999 -171.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.49 -66.41 1.01 Allowed 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.325 171.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -59.46 -39.99 85.45 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.06 -37.6 66.96 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 117.676 -1.154 . . . . 0.0 112.713 172.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.691 HD11 ' HB2' ' A' ' 15' ' ' PHE . 6.4 mp -74.41 -43.65 55.41 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 176.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.16 -51.16 42.85 Favored Glycine 0 N--CA 1.481 1.664 0 O-C-N 124.454 1.097 . . . . 0.0 110.835 173.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.73 -39.46 97.51 Favored Glycine 0 CA--C 1.539 1.57 0 CA-C-N 113.673 -1.263 . . . . 0.0 113.256 173.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.603 ' O ' HG12 ' A' ' 27' ' ' VAL . 1.7 t-80 -73.05 -33.53 65.73 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -172.685 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -63.95 -41.51 97.56 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.588 1.555 . . . . 0.0 112.137 172.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -65.01 -33.63 76.51 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 174.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.603 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.5 OUTLIER -69.41 -9.01 11.54 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.972 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 174.622 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.409 ' CE1' ' HB3' ' A' ' 10' ' ' PHE . 39.3 m170 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 113.855 1.058 . . . . 0.0 113.855 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.8 p -75.77 160.86 29.56 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 114.386 -1.279 . . . . 0.0 111.194 178.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.8 -4.64 24.63 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.5 p 70.28 -55.02 0.62 Allowed 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 128.697 2.799 . . . . 0.0 112.829 -169.303 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.29 -38.14 90.0 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 179.09 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.9 p -117.11 12.06 14.38 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 173.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.8 pttt 32.99 25.43 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 116.019 1.859 . . . . 0.0 116.019 -169.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -92.17 126.85 37.42 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.961 0.886 . . . . 0.0 110.67 -169.435 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -71.33 111.64 6.82 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 111.547 -2.57 . . . . 0.0 112.773 -176.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -109.72 131.85 54.68 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 113.561 -1.654 . . . . 0.0 112.52 176.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -83.61 39.43 0.68 Allowed 'General case' 0 N--CA 1.484 1.238 0 CA-C-N 114.172 -1.376 . . . . 0.0 112.458 170.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.444 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 75.1 m -136.75 137.98 40.46 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 114.588 -1.187 . . . . 0.0 111.095 -170.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.61 -78.55 0.16 Allowed 'General case' 0 N--CA 1.48 1.049 0 O-C-N 124.444 1.09 . . . . 0.0 110.498 169.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.42 -46.02 91.87 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 114.781 1.401 . . . . 0.0 114.781 178.332 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.444 ' HB3' ' HB3' ' A' ' 17' ' ' SER . . . -68.0 -0.14 4.12 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 176.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.6 tt -100.35 -54.21 2.92 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.629 0.772 . . . . 0.0 109.778 166.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.84 -48.18 67.96 Favored Glycine 0 N--CA 1.484 1.873 0 O-C-N 123.661 0.601 . . . . 0.0 112.644 177.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.67 -37.63 95.02 Favored Glycine 0 CA--C 1.537 1.443 0 CA-C-N 114.203 -0.999 . . . . 0.0 112.474 172.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.598 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.2 t-80 -70.11 -35.18 73.95 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -178.364 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -44.32 97.07 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.183 1.793 . . . . 0.0 111.828 171.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -65.78 -32.11 73.47 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 175.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.598 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.8 OUTLIER -68.18 -11.29 14.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 174.064 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 37.9 m170 . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 177.007 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 . . . . . 0 N--CA 1.475 0.798 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.656 HG22 ' H ' ' A' ' 9' ' ' SER . 7.0 m -96.22 154.74 17.09 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.575 1.55 . . . . 0.0 109.991 -175.311 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.95 -13.81 16.76 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -178.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.656 ' H ' HG22 ' A' ' 7' ' ' THR . 20.9 p 74.03 -52.97 0.69 Allowed 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 129.419 3.087 . . . . 0.0 112.594 -171.398 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.24 -36.06 80.86 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 177.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.3 p -117.9 14.04 14.13 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 172.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 29.38 23.86 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 118.493 2.775 . . . . 0.0 118.493 -169.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.468 ' O ' ' HA ' ' A' ' 7' ' ' THR . 7.6 mtp-105 -85.13 140.76 30.7 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.846 1.258 . . . . 0.0 111.626 -178.312 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -88.61 115.84 26.43 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 111.346 -2.661 . . . . 0.0 110.957 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.851 ' HB2' HD12 ' A' ' 21' ' ' LEU . 47.6 m-85 -110.3 132.87 53.79 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 112.988 -1.915 . . . . 0.0 109.975 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.18 48.88 1.64 Allowed 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 113.271 -1.786 . . . . 0.0 109.191 174.409 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.418 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 30.4 m -156.2 158.74 38.12 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 114.335 -1.302 . . . . 0.0 112.46 -169.581 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.91 -69.41 0.86 Allowed 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 114.103 -1.408 . . . . 0.0 111.498 177.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -58.51 -52.75 64.33 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.915 0.886 . . . . 0.0 111.758 177.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.418 ' HB3' ' HB3' ' A' ' 17' ' ' SER . . . -54.16 -30.88 50.9 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 174.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.851 HD12 ' HB2' ' A' ' 15' ' ' PHE . 5.9 tt -81.14 -51.03 8.89 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.991 0.917 . . . . 0.0 112.046 177.719 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.53 -46.28 58.72 Favored Glycine 0 N--CA 1.483 1.796 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 176.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.05 -37.64 95.27 Favored Glycine 0 CA--C 1.539 1.57 0 CA-C-N 113.927 -1.137 . . . . 0.0 112.834 170.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.646 ' O ' HG12 ' A' ' 27' ' ' VAL . 1.5 t-80 -72.05 -35.62 69.37 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -171.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.33 -43.92 98.06 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 126.16 1.784 . . . . 0.0 111.747 172.657 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -65.34 -34.46 78.39 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 176.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.646 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -62.63 -16.4 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 175.077 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 36.3 m170 . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 178.488 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.496 ' HB2' HD13 ' A' ' 21' ' ' LEU . 91.0 m-85 . . . . . 0 N--CA 1.475 0.788 0 CA-C-O 121.69 0.757 . . . . 0.0 112.48 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.661 HG22 ' H ' ' A' ' 9' ' ' SER . 92.4 m -90.49 151.51 21.34 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 113.644 -1.616 . . . . 0.0 109.955 177.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.77 -15.22 18.53 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -177.17 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.661 ' H ' HG22 ' A' ' 7' ' ' THR 0.27 16.4 p 77.29 -56.03 0.53 Allowed 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 128.623 2.769 . . . . 0.0 111.905 -172.335 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -59.88 -39.73 86.27 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 175.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.414 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 26.3 p -106.98 6.69 29.36 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 118.442 -1.303 . . . . 0.0 108.311 176.536 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.436 ' HA ' HG23 ' A' ' 7' ' ' THR . 0.0 OUTLIER 33.01 23.34 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 117.626 2.454 . . . . 0.0 117.626 -169.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.414 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 8.3 mtp85 -98.91 141.88 31.12 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 114.337 -1.301 . . . . 0.0 110.974 -175.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -91.94 117.08 29.47 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 111.455 -2.612 . . . . 0.0 110.744 -176.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.94 ' HB2' HD12 ' A' ' 21' ' ' LEU . 3.5 m-85 -106.4 134.77 49.02 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 113.967 -1.469 . . . . 0.0 111.056 177.036 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.614 ' H ' ' HD3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -81.02 40.14 0.53 Allowed 'General case' 0 N--CA 1.482 1.137 0 CA-C-O 123.786 1.755 . . . . 0.0 112.002 170.373 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.504 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 41.6 m -139.28 158.92 43.32 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 113.701 -1.59 . . . . 0.0 111.631 -171.27 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -114.66 -73.47 0.65 Allowed 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 114.405 -1.271 . . . . 0.0 111.216 174.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.96 -41.68 98.27 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.504 ' HB3' ' HB3' ' A' ' 17' ' ' SER . . . -58.42 -36.05 73.0 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 118.368 -0.825 . . . . 0.0 113.027 173.687 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.94 HD12 ' HB2' ' A' ' 15' ' ' PHE . 6.0 tt -75.2 -48.57 22.87 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.523 0.729 . . . . 0.0 112.227 179.05 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.97 -48.44 58.03 Favored Glycine 0 N--CA 1.483 1.823 0 O-C-N 124.034 0.834 . . . . 0.0 111.487 174.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.34 -35.68 91.99 Favored Glycine 0 CA--C 1.539 1.567 0 CA-C-N 113.844 -1.178 . . . . 0.0 113.28 171.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.635 ' O ' HG12 ' A' ' 27' ' ' VAL . 1.7 t-80 -72.39 -35.95 68.56 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -172.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.9 ttt -62.49 -42.61 99.61 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.981 1.313 . . . . 0.0 111.843 172.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -63.22 -36.07 82.44 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 174.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.635 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.4 OUTLIER -65.53 -15.32 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 176.034 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 44.1 m170 . . . . . 0 N--CA 1.454 -0.239 0 C-N-CA 123.048 0.539 . . . . 0.0 109.583 178.943 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 . . . . . 0 N--CA 1.479 1.011 0 CA-C-O 120.569 0.223 . . . . 0.0 111.357 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.585 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 74.8 p -98.32 161.7 13.56 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 125.085 1.354 . . . . 0.0 111.366 177.709 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.33 -6.52 34.09 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -175.72 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.2 p 68.95 -54.5 0.56 Allowed 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 128.786 2.834 . . . . 0.0 112.934 -168.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.38 -36.81 84.94 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 178.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.2 p -116.77 8.54 13.7 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 173.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.7 pttt 36.17 16.67 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 117.21 2.3 . . . . 0.0 117.21 -170.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.585 ' O ' ' HA ' ' A' ' 7' ' ' THR . 2.4 tpp180 -77.19 136.82 38.59 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.22 1.008 . . . . 0.0 110.172 -173.589 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -75.79 121.54 22.74 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 113.415 -1.72 . . . . 0.0 112.272 173.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.738 ' HB2' HD12 ' A' ' 21' ' ' LEU . 75.3 m-85 -115.61 160.69 19.68 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-N 112.901 -1.954 . . . . 0.0 109.965 175.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.4 mtt85 -115.23 35.59 4.29 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 114.891 -1.05 . . . . 0.0 113.498 -177.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.525 ' OG ' ' HB3' ' A' ' 20' ' ' ALA . 16.9 p -169.23 139.58 2.23 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 115.179 -0.919 . . . . 0.0 113.368 -176.004 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.11 -55.65 15.39 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 113.91 -1.495 . . . . 0.0 114.047 -179.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -68.87 -46.98 67.04 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 -178.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.525 ' HB3' ' OG ' ' A' ' 17' ' ' SER . . . -66.7 -4.19 8.36 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 174.016 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.738 HD12 ' HB2' ' A' ' 15' ' ' PHE . 3.7 tt -99.31 -51.51 3.78 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 118.613 -0.708 . . . . 0.0 111.867 166.583 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.95 -47.48 72.31 Favored Glycine 0 N--CA 1.484 1.869 0 O-C-N 123.424 0.453 . . . . 0.0 112.258 176.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.81 -39.31 96.5 Favored Glycine 0 CA--C 1.536 1.381 0 CA-C-N 113.988 -1.106 . . . . 0.0 112.551 172.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.614 ' O ' HG12 ' A' ' 27' ' ' VAL . 3.8 t-80 -70.69 -34.28 71.81 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 117.382 0.591 . . . . 0.0 109.595 -177.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -63.95 -44.78 91.79 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.098 0.959 . . . . 0.0 111.918 172.047 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -63.86 -33.13 75.0 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 176.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.614 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -67.19 -11.65 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 173.521 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 37.3 m170 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 175.725 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 . . . . . 0 N--CA 1.476 0.863 0 CA-C-O 121.775 0.798 . . . . 0.0 112.769 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.666 HG22 ' H ' ' A' ' 9' ' ' SER . 90.4 m -88.16 153.66 21.07 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 113.362 -1.745 . . . . 0.0 110.603 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.98 -14.89 17.68 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 -177.555 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.666 ' H ' HG22 ' A' ' 7' ' ' THR . 22.7 p 75.97 -53.22 0.62 Allowed 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 129.753 3.221 . . . . 0.0 111.976 -172.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.41 -35.55 80.78 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 113.936 -1.483 . . . . 0.0 114.857 177.298 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.423 ' SG ' ' HB3' ' A' ' 13' ' ' ARG . 31.3 p -114.21 10.65 17.32 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 173.632 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.496 ' HA ' HG23 ' A' ' 7' ' ' THR . 10.5 pttp 32.67 18.45 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 118.339 2.718 . . . . 0.0 118.339 -169.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.469 ' O ' ' HA ' ' A' ' 7' ' ' THR . 31.4 ttm-85 -91.89 140.22 29.89 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.4 1.08 . . . . 0.0 109.976 -172.388 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -86.51 119.34 26.66 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 111.41 -2.632 . . . . 0.0 112.048 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.807 ' HB2' HD12 ' A' ' 21' ' ' LEU . 83.2 m-85 -113.73 131.28 56.24 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 113.24 -1.8 . . . . 0.0 110.73 177.311 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -75.43 31.69 0.1 Allowed 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 114.626 -1.17 . . . . 0.0 112.893 169.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.43 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 19.9 m -133.97 158.52 43.3 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.391 1.076 . . . . 0.0 112.069 -169.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.42 -67.92 0.96 Allowed 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 114.084 -1.416 . . . . 0.0 111.345 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -58.32 -52.55 65.12 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.833 0.853 . . . . 0.0 111.632 177.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.43 ' HB3' ' HB3' ' A' ' 17' ' ' SER . . . -55.48 -31.57 62.11 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 175.536 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.807 HD12 ' HB2' ' A' ' 15' ' ' PHE . 5.8 tt -80.28 -50.61 9.97 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.83 0.852 . . . . 0.0 112.047 179.173 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.1 -46.73 69.45 Favored Glycine 0 N--CA 1.484 1.852 0 O-C-N 123.886 0.741 . . . . 0.0 111.508 176.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.51 -37.62 94.99 Favored Glycine 0 CA--C 1.54 1.637 0 CA-C-N 113.922 -1.139 . . . . 0.0 112.74 171.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.65 ' O ' HG12 ' A' ' 27' ' ' VAL . 1.3 t-80 -72.1 -36.62 69.52 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -172.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -43.54 93.15 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.414 1.885 . . . . 0.0 111.264 172.301 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -65.91 -37.2 85.46 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 177.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.65 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -61.4 -17.23 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 114.236 1.199 . . . . 0.0 114.236 175.8 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 40.6 m170 . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 177.841 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.481 ' O ' ' HA ' ' A' ' 14' ' ' GLU . 79.4 m-85 . . . . . 0 N--CA 1.474 0.751 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.595 HG22 ' H ' ' A' ' 9' ' ' SER . 8.1 m -104.72 154.34 20.12 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 125.95 1.7 . . . . 0.0 109.863 -176.53 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.23 -14.47 18.46 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -176.581 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.595 ' H ' HG22 ' A' ' 7' ' ' THR . 20.0 p 75.52 -53.03 0.65 Allowed 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 129.441 3.097 . . . . 0.0 112.337 -172.247 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.39 -31.9 73.29 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 177.232 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.0 p -115.26 9.36 15.71 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 173.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 pttp 31.34 25.42 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 117.519 2.414 . . . . 0.0 117.519 -171.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 ttm-85 -105.07 140.13 38.71 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.976 0.894 . . . . 0.0 110.329 -172.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.481 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -80.07 123.89 28.26 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 112.924 -1.944 . . . . 0.0 112.821 178.258 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.412 ' CZ ' ' CD2' ' A' ' 24' ' ' HIS . 8.1 m-85 -114.02 154.11 28.23 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 113.035 -1.893 . . . . 0.0 111.648 176.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -109.27 46.15 1.01 Allowed 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 114.713 -1.13 . . . . 0.0 113.907 -174.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.629 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 21.1 p -174.42 140.81 0.66 Allowed 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 115.17 -0.923 . . . . 0.0 113.083 -177.023 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.87 -55.81 11.48 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 114.789 -1.096 . . . . 0.0 112.954 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -48.07 64.0 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.516 ' HB3' ' OG ' ' A' ' 17' ' ' SER . . . -71.71 4.44 3.22 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 174.662 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.629 ' HB2' ' O ' ' A' ' 17' ' ' SER . 0.4 OUTLIER -101.86 -53.14 3.02 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.885 0.874 . . . . 0.0 111.421 163.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.19 -46.93 84.69 Favored Glycine 0 N--CA 1.483 1.794 0 O-C-N 123.512 0.508 . . . . 0.0 112.546 176.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.15 -38.88 95.78 Favored Glycine 0 CA--C 1.537 1.416 0 CA-C-N 114.233 -0.983 . . . . 0.0 112.454 172.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.612 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.2 t-80 -69.76 -36.34 75.69 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 117.479 0.64 . . . . 0.0 109.622 -177.338 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -45.35 92.33 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.597 1.959 . . . . 0.0 111.381 172.345 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -66.05 -31.19 71.93 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 176.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.612 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.5 OUTLIER -69.84 -8.48 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 173.44 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 43.5 m170 . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 176.45 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.489 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 41.5 p -71.0 159.97 33.78 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 113.533 -1.667 . . . . 0.0 110.805 174.629 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -104.34 -5.3 21.89 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -177.186 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.0 p 69.84 -54.73 0.6 Allowed 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 128.655 2.782 . . . . 0.0 112.491 -169.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.07 -38.92 84.28 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.506 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 4.4 p -119.29 12.54 12.57 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 174.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 28.13 29.12 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 117.235 2.309 . . . . 0.0 117.235 -168.079 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.506 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -80.86 120.75 25.1 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.842 1.657 . . . . 0.0 110.791 -177.453 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -74.34 111.73 9.8 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 112.819 -1.991 . . . . 0.0 111.634 177.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.582 ' CG ' HD23 ' A' ' 21' ' ' LEU . 7.4 m-85 -110.34 132.1 54.48 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 114.592 -1.185 . . . . 0.0 113.547 176.576 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -77.86 47.36 0.63 Allowed 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 123.566 1.65 . . . . 0.0 112.047 169.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.2 m -153.03 158.36 41.87 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 113.727 -1.579 . . . . 0.0 111.803 -171.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -114.71 -71.76 0.73 Allowed 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 113.748 -1.569 . . . . 0.0 110.879 174.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -63.88 -42.58 97.45 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 -178.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.76 -40.33 79.5 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 173.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.582 HD23 ' CG ' ' A' ' 15' ' ' PHE . 3.1 tm? -72.0 -42.84 65.96 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.767 0.827 . . . . 0.0 112.241 176.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.63 -48.92 68.07 Favored Glycine 0 N--CA 1.482 1.736 0 C-N-CA 123.606 0.622 . . . . 0.0 112.474 174.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.59 -37.65 94.54 Favored Glycine 0 CA--C 1.54 1.596 0 CA-C-N 114.917 -0.642 . . . . 0.0 112.984 172.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.6 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.6 t-80 -71.93 -35.69 69.72 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.094 0.558 . . . . 0.0 109.615 -174.125 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -45.16 95.1 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.173 1.789 . . . . 0.0 111.656 171.678 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -63.31 -39.17 93.81 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 176.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.6 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.5 OUTLIER -63.76 -7.97 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 176.466 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 35.1 m170 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 175.656 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.402 ' HB ' ' HA ' ' A' ' 12' ' ' LYS . 79.4 p -78.74 162.97 25.78 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 114.224 -1.353 . . . . 0.0 110.832 176.405 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.44 -4.15 29.5 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -178.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.265 17.1 p 67.81 -58.91 0.43 Allowed 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 127.434 2.294 . . . . 0.0 112.788 -167.731 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -58.95 -42.47 89.9 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.868 1.432 . . . . 0.0 114.868 176.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.5 p -116.02 12.66 15.71 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.402 ' HA ' ' HB ' ' A' ' 7' ' ' THR . 0.0 OUTLIER 28.63 26.94 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 118.131 2.641 . . . . 0.0 118.131 -169.56 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.4 ' O ' ' HA ' ' A' ' 7' ' ' THR . 21.5 ttm-85 -83.42 131.65 35.02 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 121.985 0.898 . . . . 0.0 110.028 -176.391 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -72.26 110.91 7.03 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 112.031 -2.349 . . . . 0.0 112.641 175.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -105.18 131.77 52.24 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 112.718 -2.037 . . . . 0.0 111.013 173.019 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.03 24.78 0.89 Allowed 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 113.118 -1.856 . . . . 0.0 113.217 176.776 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.489 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 34.7 p -160.5 133.6 6.62 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-O 122.566 1.174 . . . . 0.0 113.792 -167.613 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.0 -66.97 0.46 Allowed 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 112.568 -2.105 . . . . 0.0 114.105 -178.1 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -64.17 -42.06 96.86 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 114.225 1.195 . . . . 0.0 114.225 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.481 ' HB3' ' OG ' ' A' ' 17' ' ' SER . . . -68.89 -6.42 27.14 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 174.011 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.489 ' HB2' ' O ' ' A' ' 17' ' ' SER . 2.7 tt -94.52 -52.87 4.12 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 118.61 -0.709 . . . . 0.0 110.642 166.733 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.32 -49.14 70.33 Favored Glycine 0 N--CA 1.485 1.938 0 O-C-N 123.436 0.46 . . . . 0.0 113.4 177.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.9 -39.31 97.88 Favored Glycine 0 CA--C 1.536 1.384 0 CA-C-N 114.191 -1.005 . . . . 0.0 111.84 173.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.628 ' O ' HG12 ' A' ' 27' ' ' VAL . 5.2 t-80 -72.4 -37.13 68.76 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 -176.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -42.4 99.71 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.864 1.666 . . . . 0.0 112.1 172.728 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -66.2 -34.25 77.59 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 175.139 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.628 HG12 ' O ' ' A' ' 24' ' ' HIS 0.251 0.5 OUTLIER -64.38 -15.09 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 172.632 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 40.8 m170 . . . . . 0 C--N 1.343 0.296 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.017 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.426 ' O ' ' HA ' ' A' ' 14' ' ' GLU . 99.6 m-85 . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 121.079 0.466 . . . . 0.0 112.024 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.642 HG22 ' H ' ' A' ' 9' ' ' SER . 16.4 m -102.92 157.71 16.78 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.414 1.486 . . . . 0.0 109.687 -177.175 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.14 -10.8 18.53 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -176.59 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.642 ' H ' HG22 ' A' ' 7' ' ' THR . 18.2 p 74.09 -53.0 0.69 Allowed 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 129.438 3.095 . . . . 0.0 112.373 -171.525 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.34 -43.97 89.22 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 178.495 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.8 p -98.99 5.96 46.92 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 119.128 -1.029 . . . . 0.0 108.257 173.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 32.12 25.47 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 118.038 2.607 . . . . 0.0 118.038 -170.392 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.541 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -97.16 145.3 26.15 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 114.099 -1.409 . . . . 0.0 110.052 -177.051 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.426 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 4.4 mt-10 -100.18 125.79 46.37 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 113.066 -1.879 . . . . 0.0 110.851 -178.039 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.697 ' HB2' HD11 ' A' ' 21' ' ' LEU . 26.1 m-85 -124.02 160.51 27.49 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 112.689 -2.05 . . . . 0.0 111.146 -176.05 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.29 61.21 0.6 Allowed 'General case' 0 N--CA 1.489 1.486 0 CA-C-O 122.685 1.231 . . . . 0.0 113.69 -178.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.505 ' O ' HD13 ' A' ' 21' ' ' LEU . 58.5 m -159.36 164.14 34.98 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -178.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -118.35 7.18 11.92 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 115.621 1.711 . . . . 0.0 115.621 174.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -130.69 -51.79 1.06 Allowed 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.119 0.968 . . . . 0.0 112.63 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -47.09 -42.26 18.64 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 117.675 -1.155 . . . . 0.0 112.713 171.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.697 HD11 ' HB2' ' A' ' 15' ' ' PHE . 5.9 mp -65.4 -50.01 67.09 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 176.146 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.54 -49.39 65.21 Favored Glycine 0 N--CA 1.481 1.673 0 O-C-N 124.076 0.86 . . . . 0.0 111.274 178.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.23 -39.59 97.9 Favored Glycine 0 CA--C 1.538 1.522 0 CA-C-N 113.717 -1.242 . . . . 0.0 112.624 172.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.622 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.2 t-80 -72.54 -35.19 67.99 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -173.553 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 14.3 ttp -66.09 -39.66 90.18 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.099 1.36 . . . . 0.0 112.372 173.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -62.96 -39.43 94.66 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.991 174.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.4 OUTLIER -63.66 -14.54 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 176.13 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 44.7 m170 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 176.928 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 N--CA 1.476 0.852 0 CA-C-O 122.03 0.919 . . . . 0.0 112.943 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.568 HG22 ' HA ' ' A' ' 12' ' ' LYS . 0.8 OUTLIER -110.91 155.55 22.48 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 112.921 -1.945 . . . . 0.0 108.163 -169.951 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.64 -13.4 20.35 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -177.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.263 17.7 p 74.39 -56.28 0.64 Allowed 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 128.576 2.75 . . . . 0.0 112.238 -171.605 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -59.67 -38.51 81.68 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 175.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.6 p -114.25 10.54 17.24 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 118.991 -1.084 . . . . 0.0 108.27 176.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.568 ' HA ' HG22 ' A' ' 7' ' ' THR . 0.2 OUTLIER 27.7 29.75 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 118.609 2.818 . . . . 0.0 118.609 -170.414 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.5 ttm-85 -93.17 133.85 35.94 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 -176.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -80.21 122.52 26.95 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 112.824 -1.989 . . . . 0.0 111.376 176.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.471 ' HB2' HD11 ' A' ' 21' ' ' LEU . 20.8 m-85 -114.1 160.38 18.99 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 112.723 -2.035 . . . . 0.0 111.913 175.764 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -97.61 26.32 5.1 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-N 113.051 -1.886 . . . . 0.0 114.894 -174.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.1 p -176.96 136.99 0.22 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -175.436 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.85 -49.06 72.03 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 113.514 -1.675 . . . . 0.0 114.153 -176.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -68.61 -38.84 80.89 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.54 -37.44 70.5 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 117.752 -1.118 . . . . 0.0 111.116 171.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.471 HD11 ' HB2' ' A' ' 15' ' ' PHE . 6.7 mt -70.69 -47.36 60.27 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 171.099 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.85 -47.14 48.22 Favored Glycine 0 N--CA 1.483 1.799 0 O-C-N 123.929 0.768 . . . . 0.0 112.201 175.151 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.06 -43.22 73.61 Favored Glycine 0 CA--C 1.538 1.478 0 CA-C-N 114.226 -0.987 . . . . 0.0 113.733 173.553 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.61 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.9 t-80 -71.74 -35.24 70.07 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -172.059 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.407 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -63.34 -45.3 91.88 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 126.48 1.912 . . . . 0.0 111.029 172.608 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -65.56 -26.99 68.11 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 174.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.61 HG12 ' O ' ' A' ' 24' ' ' HIS 0.259 0.4 OUTLIER -72.5 -12.13 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 172.413 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 35.7 m170 . . . . . 0 N--CA 1.453 -0.323 0 C-N-CA 123.685 0.794 . . . . 0.0 109.663 179.288 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.493 ' HB2' ' CD1' ' A' ' 21' ' ' LEU . 92.4 m-85 . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 121.619 0.724 . . . . 0.0 112.467 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.637 HG22 ' H ' ' A' ' 9' ' ' SER . 8.4 m -100.17 154.94 18.04 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 113.295 -1.775 . . . . 0.0 109.433 -175.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.68 -12.4 19.19 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -177.208 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.637 ' H ' HG22 ' A' ' 7' ' ' THR . 22.2 p 73.56 -53.06 0.7 Allowed 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 129.492 3.117 . . . . 0.0 112.449 -171.222 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.47 -37.38 87.09 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 177.778 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.8 p -108.81 9.49 26.81 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 173.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 29.71 27.48 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 118.115 2.635 . . . . 0.0 118.115 -171.052 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.417 ' O ' ' HA ' ' A' ' 7' ' ' THR . 1.5 mtp-105 -102.93 148.83 25.17 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.141 1.376 . . . . 0.0 110.796 -174.726 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -95.33 121.31 36.86 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 112.578 -2.101 . . . . 0.0 113.158 -177.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.411 ' CZ ' ' CD2' ' A' ' 24' ' ' HIS . 7.4 m-85 -111.0 162.1 15.19 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 112.052 -2.34 . . . . 0.0 112.075 178.051 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -111.27 40.85 1.98 Allowed 'General case' 0 N--CA 1.484 1.243 0 CA-C-N 113.468 -1.696 . . . . 0.0 114.772 -176.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.558 ' OG ' ' HB3' ' A' ' 20' ' ' ALA . 15.0 p -176.76 137.37 0.25 Allowed 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 -178.518 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.24 -54.27 31.89 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 114.137 -1.392 . . . . 0.0 113.751 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -68.1 -43.64 77.99 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -178.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.558 ' HB3' ' OG ' ' A' ' 17' ' ' SER . . . -69.81 -2.12 11.24 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 173.429 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.493 ' CD1' ' HB2' ' A' ' 6' ' ' TYR . 6.1 mt -93.22 -50.39 5.51 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 158.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.29 -49.59 55.84 Favored Glycine 0 N--CA 1.484 1.889 0 O-C-N 123.843 0.714 . . . . 0.0 112.072 176.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.23 -39.76 96.27 Favored Glycine 0 CA--C 1.537 1.455 0 CA-C-N 113.877 -1.162 . . . . 0.0 112.784 173.377 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.626 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.9 t-80 -70.25 -35.65 73.93 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -175.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 21.1 ttm -63.94 -41.09 97.71 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.365 1.466 . . . . 0.0 112.066 173.041 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -60.82 -40.0 91.13 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 173.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.626 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -64.7 -10.53 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 176.506 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 44.1 m170 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 177.51 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 121.82 0.819 . . . . 0.0 111.616 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.632 HG22 ' H ' ' A' ' 9' ' ' SER . 8.1 m -86.58 155.62 20.38 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 125.907 1.683 . . . . 0.0 109.715 -176.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.93 -8.93 19.29 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -177.762 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.632 ' H ' HG22 ' A' ' 7' ' ' THR . 18.9 p 73.92 -54.18 0.68 Allowed 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 129.219 3.008 . . . . 0.0 112.246 -171.066 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.74 -46.97 76.86 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 178.619 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.9 p -96.98 7.81 45.84 Favored 'General case' 0 C--N 1.343 0.324 0 C-N-CA 118.9 -1.12 . . . . 0.0 108.305 174.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.0 pttt 34.33 20.31 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 117.034 2.235 . . . . 0.0 117.034 -170.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.432 ' O ' ' HA ' ' A' ' 7' ' ' THR . 3.1 ttm-85 -95.26 136.34 35.73 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.68 0.752 . . . . 0.0 109.689 -172.022 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -84.05 120.88 26.67 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 112.855 -1.975 . . . . 0.0 110.385 178.252 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.655 ' HB2' HD11 ' A' ' 21' ' ' LEU . 81.6 m-85 -116.76 144.2 44.75 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 114.434 -1.257 . . . . 0.0 112.256 178.741 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.5 ttp85 -85.67 38.11 0.73 Allowed 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 113.883 -1.508 . . . . 0.0 113.578 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.5 m -149.1 177.19 9.82 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.101 -178.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -122.38 -63.79 1.25 Allowed 'General case' 0 N--CA 1.481 1.08 0 O-C-N 124.023 0.827 . . . . 0.0 112.658 175.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -60.16 -36.54 77.79 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 178.169 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.41 -34.57 64.51 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 118.373 -0.822 . . . . 0.0 112.345 170.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.655 HD11 ' HB2' ' A' ' 15' ' ' PHE . 8.3 mp -80.31 -44.86 18.83 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.722 1.209 . . . . 0.0 113.252 -178.605 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.63 -51.9 36.24 Favored Glycine 0 N--CA 1.484 1.848 0 O-C-N 124.496 1.122 . . . . 0.0 110.892 173.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.49 -39.46 97.71 Favored Glycine 0 CA--C 1.54 1.632 0 CA-C-N 113.557 -1.322 . . . . 0.0 113.311 173.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.633 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.0 t-80 -73.49 -37.5 65.69 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -173.104 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 8.9 ttp -65.58 -38.54 89.82 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.72 1.208 . . . . 0.0 111.506 173.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -61.74 -32.62 72.87 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 171.271 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.633 HG12 ' O ' ' A' ' 24' ' ' HIS 0.264 0.3 OUTLIER -67.6 -15.68 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 174.901 . . . . . . . . 4 4 . 1 . 015 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 47.8 m170 . . . . . 0 N--CA 1.452 -0.332 0 C-N-CA 123.479 0.712 . . . . 0.0 109.618 -178.185 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.46 ' O ' ' HA ' ' A' ' 14' ' ' GLU . 57.8 m-85 . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 122.111 0.958 . . . . 0.0 112.392 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.485 HG22 ' HA ' ' A' ' 12' ' ' LYS . 2.2 m -101.49 152.35 20.87 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 112.794 -2.003 . . . . 0.0 108.284 -174.14 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.36 -11.46 27.72 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 -177.207 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.9 p 73.71 -53.14 0.69 Allowed 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 129.478 3.111 . . . . 0.0 112.294 -171.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.58 -42.29 95.71 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 177.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 32.1 p -108.81 10.86 26.54 Favored 'General case' 0 C--N 1.342 0.276 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 173.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.485 ' HA ' HG22 ' A' ' 7' ' ' THR . 23.7 pttt 32.55 26.89 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 117.598 2.444 . . . . 0.0 117.598 -172.577 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -101.08 137.25 39.7 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.591 0.756 . . . . 0.0 109.999 -172.282 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.46 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 1.8 mt-10 -82.8 122.69 28.53 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 112.932 -1.94 . . . . 0.0 114.0 -178.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.491 ' HB2' HD12 ' A' ' 21' ' ' LEU . 11.5 m-85 -110.89 155.41 22.66 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 111.44 -2.618 . . . . 0.0 111.268 178.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.65 38.35 2.18 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-N 114.328 -1.305 . . . . 0.0 113.044 -178.354 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.507 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 30.5 p -169.65 139.18 1.98 Allowed 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 115.295 -0.866 . . . . 0.0 113.187 -174.074 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.47 -58.15 4.34 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 114.427 -1.261 . . . . 0.0 113.396 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.93 -48.21 77.46 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.501 ' HB3' ' OG ' ' A' ' 17' ' ' SER . . . -71.38 2.52 4.77 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 174.575 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.507 ' HB2' ' O ' ' A' ' 17' ' ' SER . 3.1 tt -101.07 -51.11 3.61 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.303 0.641 . . . . 0.0 110.87 165.507 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.46 -48.49 75.74 Favored Glycine 0 N--CA 1.484 1.887 0 O-C-N 123.473 0.483 . . . . 0.0 112.373 175.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.82 -38.31 95.95 Favored Glycine 0 CA--C 1.537 1.451 0 CA-C-N 114.366 -0.917 . . . . 0.0 112.48 173.054 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.61 ' O ' HG12 ' A' ' 27' ' ' VAL . 3.7 t-80 -69.67 -36.37 75.97 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -178.489 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.7 ttp -64.55 -39.32 93.53 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.801 1.24 . . . . 0.0 112.355 172.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -64.54 -35.73 81.93 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 174.225 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.61 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.5 OUTLIER -68.08 -9.03 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 174.12 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 42.8 m170 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 176.322 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.552 HG22 ' H ' ' A' ' 9' ' ' SER . 32.2 m -86.8 151.22 23.55 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 113.247 -1.797 . . . . 0.0 110.307 176.81 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.8 -13.96 18.21 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 114.894 -1.048 . . . . 0.0 108.374 -175.445 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.552 ' H ' HG22 ' A' ' 7' ' ' THR . 21.3 p 76.25 -52.49 0.61 Allowed 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 129.935 3.294 . . . . 0.0 111.967 -172.313 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.82 -37.21 85.62 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 178.507 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.7 p -108.02 5.68 26.35 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 171.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.482 ' HA ' HG23 ' A' ' 7' ' ' THR . 12.5 ptmt 34.63 22.87 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 117.74 2.496 . . . . 0.0 117.74 -170.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.69 135.42 41.13 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 114.437 -1.256 . . . . 0.0 110.296 -172.811 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -83.41 118.68 23.89 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 111.429 -2.623 . . . . 0.0 110.535 -178.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.575 ' HB2' HD11 ' A' ' 21' ' ' LEU . 72.7 m-85 -115.3 140.83 48.77 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 113.909 -1.496 . . . . 0.0 112.044 178.657 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.5 ttp180 -86.88 46.72 1.4 Allowed 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 113.692 -1.595 . . . . 0.0 112.526 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.8 m -155.56 -178.89 7.6 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.948 -179.18 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -126.87 -61.81 1.15 Allowed 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.641 175.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -60.04 -41.14 91.64 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.3 -29.83 58.99 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 114.978 -1.01 . . . . 0.0 113.201 171.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.575 HD11 ' HB2' ' A' ' 15' ' ' PHE . 8.3 mp -85.46 -44.98 12.26 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.664 1.186 . . . . 0.0 113.388 -177.626 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.1 -49.82 48.08 Favored Glycine 0 N--CA 1.482 1.741 0 O-C-N 124.48 1.113 . . . . 0.0 110.77 172.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.32 -40.89 99.48 Favored Glycine 0 CA--C 1.539 1.588 0 CA-C-N 113.574 -1.313 . . . . 0.0 113.322 172.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.631 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.1 t-80 -72.82 -36.78 67.59 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -172.678 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -64.52 -37.67 88.36 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.412 1.485 . . . . 0.0 111.97 173.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -65.78 -35.07 79.66 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 174.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.631 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.4 OUTLIER -67.11 -12.74 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 N-CA-C 114.552 1.316 . . . . 0.0 114.552 174.02 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 45.3 m170 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 177.856 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 . . . . . 0 N--CA 1.474 0.737 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.65 HG22 ' H ' ' A' ' 9' ' ' SER . 96.9 m -81.14 151.08 28.43 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 113.938 -1.483 . . . . 0.0 111.323 175.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.67 -15.78 18.42 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -177.35 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.65 ' H ' HG22 ' A' ' 7' ' ' THR 0.265 16.0 p 76.25 -56.55 0.57 Allowed 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 128.665 2.786 . . . . 0.0 112.146 -172.065 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -57.86 -37.79 74.54 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.714 1.375 . . . . 0.0 114.714 175.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 26.0 p -113.84 12.66 18.26 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 118.46 -1.296 . . . . 0.0 108.265 177.094 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.432 ' HA ' HG23 ' A' ' 7' ' ' THR . 0.0 OUTLIER 32.43 23.13 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 117.876 2.547 . . . . 0.0 117.876 -171.563 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.515 ' O ' ' HA ' ' A' ' 7' ' ' THR . 2.9 mtp-105 -99.03 146.57 25.91 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.731 1.213 . . . . 0.0 112.032 -173.187 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -89.12 115.64 26.79 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 112.297 -2.229 . . . . 0.0 111.546 -178.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.831 ' HB2' HD12 ' A' ' 21' ' ' LEU . 24.7 m-85 -106.45 138.2 43.07 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 114.019 -1.446 . . . . 0.0 111.651 173.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.4 ptt-85 -93.47 28.42 2.27 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 113.296 -1.775 . . . . 0.0 113.056 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.6 p -147.36 138.93 24.0 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -171.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.04 -73.02 0.19 Allowed 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 114.835 -1.075 . . . . 0.0 112.989 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -59.85 -48.83 80.09 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.012 0.925 . . . . 0.0 112.497 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.42 -4.79 8.95 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 115.875 1.806 . . . . 0.0 115.875 177.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.831 HD12 ' HB2' ' A' ' 15' ' ' PHE . 6.4 tt -99.68 -52.86 3.34 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 118.517 -0.754 . . . . 0.0 111.308 163.729 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.78 -48.44 56.83 Favored Glycine 0 N--CA 1.483 1.831 0 CA-C-O 121.518 0.51 . . . . 0.0 112.099 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.71 -36.93 93.73 Favored Glycine 0 CA--C 1.537 1.437 0 CA-C-N 113.492 -1.354 . . . . 0.0 112.61 171.255 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.644 ' O ' HG12 ' A' ' 27' ' ' VAL . 1.4 t-80 -69.58 -35.94 75.81 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 117.893 0.846 . . . . 0.0 109.592 -177.328 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.3 ttt -62.73 -42.11 99.5 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.35 1.46 . . . . 0.0 111.971 173.317 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -66.75 -29.27 69.2 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 174.387 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.644 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -66.99 -15.02 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 172.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 42.5 m170 . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 178.959 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 . . . . . 0 N--CA 1.478 0.96 0 CA-C-O 121.27 0.557 . . . . 0.0 111.84 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.61 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 29.7 m -93.91 154.54 17.64 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 113.88 -1.509 . . . . 0.0 111.039 178.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.34 -16.81 16.79 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 -175.245 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.543 ' H ' HG22 ' A' ' 7' ' ' THR . 20.9 p 76.42 -52.6 0.6 Allowed 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 129.837 3.255 . . . . 0.0 112.138 -172.446 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.99 -40.44 94.96 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 115.019 1.489 . . . . 0.0 115.019 178.157 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.5 p -109.29 12.52 24.76 Favored 'General case' 0 C--N 1.343 0.292 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 172.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.5 pttm 34.61 14.97 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 118.566 2.802 . . . . 0.0 118.566 -170.051 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.61 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -80.83 150.25 29.22 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.706 1.202 . . . . 0.0 110.101 -172.577 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -106.63 118.08 35.72 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 112.991 -1.913 . . . . 0.0 109.919 -176.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.542 ' HB2' HD11 ' A' ' 21' ' ' LEU . 35.3 m-85 -121.94 155.56 35.25 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 113.033 -1.894 . . . . 0.0 111.977 -176.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -108.08 56.61 0.63 Allowed 'General case' 0 N--CA 1.487 1.382 0 CA-C-N 113.092 -1.867 . . . . 0.0 113.003 -175.371 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.535 ' O ' HD13 ' A' ' 21' ' ' LEU . 58.8 m -162.44 163.69 27.53 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.726 -176.605 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -121.36 18.6 11.42 Favored 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 115.208 1.559 . . . . 0.0 115.208 176.091 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.517 ' HG3' ' H ' ' A' ' 20' ' ' ALA . 21.7 pt20 -134.52 -57.25 0.84 Allowed 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.926 0.89 . . . . 0.0 112.628 -176.769 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.517 ' H ' ' HG3' ' A' ' 19' ' ' GLN . . . -48.91 -37.0 18.51 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 114.52 -1.218 . . . . 0.0 112.78 171.431 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.542 HD11 ' HB2' ' A' ' 15' ' ' PHE . 7.2 mp -68.89 -51.09 43.92 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 177.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.62 -49.45 65.3 Favored Glycine 0 N--CA 1.481 1.65 0 O-C-N 124.332 1.02 . . . . 0.0 111.198 177.016 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.07 -42.23 99.72 Favored Glycine 0 CA--C 1.539 1.542 0 CA-C-N 114.005 -1.097 . . . . 0.0 112.933 173.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.605 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.9 t-80 -72.4 -37.58 68.64 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -174.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.0 tmm? -65.13 -38.03 89.34 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.366 1.467 . . . . 0.0 111.884 174.192 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -66.63 -35.35 79.97 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 174.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.605 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.9 OUTLIER -65.68 -16.67 20.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 173.46 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 46.3 m170 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 178.971 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.484 HG22 ' H ' ' A' ' 9' ' ' SER . 3.0 m -85.59 154.71 21.54 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 112.611 -2.086 . . . . 0.0 108.78 -178.355 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.22 -11.49 18.72 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -178.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.484 ' H ' HG22 ' A' ' 7' ' ' THR 0.263 18.1 p 74.3 -57.0 0.63 Allowed 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 128.555 2.742 . . . . 0.0 112.096 -171.26 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -58.58 -36.81 74.56 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 175.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.7 p -113.45 10.24 18.22 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 119.03 -1.068 . . . . 0.0 108.259 177.11 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt 32.32 24.46 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 117.415 2.376 . . . . 0.0 117.415 -171.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.3 ttm-85 -101.15 131.4 47.12 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 122.015 0.912 . . . . 0.0 108.559 -172.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -81.66 118.3 22.7 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 111.243 -2.708 . . . . 0.0 110.956 -177.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -113.79 136.8 52.46 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 113.391 -1.731 . . . . 0.0 112.104 177.143 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.8 ptt180 -83.27 37.89 0.58 Allowed 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 113.469 -1.696 . . . . 0.0 111.887 173.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.4 m -139.68 159.32 42.45 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 114.047 -1.433 . . . . 0.0 112.243 -170.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.66 -75.12 0.59 Allowed 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 113.943 -1.481 . . . . 0.0 110.85 175.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? -61.7 -43.2 99.3 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -178.146 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.83 -41.29 86.53 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 172.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -74.74 -39.78 61.65 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.517 0.727 . . . . 0.0 112.765 178.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.19 -47.61 80.31 Favored Glycine 0 N--CA 1.482 1.747 0 O-C-N 123.794 0.684 . . . . 0.0 111.784 172.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.66 -37.09 92.92 Favored Glycine 0 N--CA 1.48 1.63 0 CA-C-N 114.768 -0.716 . . . . 0.0 112.925 172.23 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.63 ' O ' HG12 ' A' ' 27' ' ' VAL . 1.9 t-80 -72.12 -36.9 69.55 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -174.128 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.5 ttp -62.27 -41.75 98.75 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.334 1.054 . . . . 0.0 112.123 172.499 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -70.16 -22.93 62.92 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 175.642 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.63 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.4 OUTLIER -72.55 -14.91 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 170.115 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 43.4 m170 . . . . . 0 N--CA 1.454 -0.27 0 C-N-CA 123.39 0.676 . . . . 0.0 109.648 179.245 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.593 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . . . . . . 0 C--O 1.231 0.084 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.437 ' CD1' ' C ' ' A' ' 1' ' ' TRP . 0.2 OUTLIER -134.23 89.59 27.62 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 108.121 . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.48 168.23 16.89 Favored 'Trans proline' 0 CA--C 1.549 1.235 0 C-N-CA 123.652 2.901 . . . . 0.0 114.449 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -68.46 -52.4 0.46 Allowed 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 122.14 1.893 . . . . 0.0 115.278 177.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.3 ptt-85 -90.0 22.93 2.98 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -175.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 p 178.16 146.19 0.14 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.983 1.313 . . . . 0.0 111.086 -169.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -139.55 163.32 32.86 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 114.447 -1.251 . . . . 0.0 110.115 -170.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.593 ' OG1' ' O ' ' A' ' 0' ' ' ACE . 2.1 m -112.28 155.15 24.55 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.937 1.295 . . . . 0.0 109.512 -173.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.44 -10.09 22.62 Favored 'General case' 0 C--N 1.344 0.35 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -178.229 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.0 p 73.77 -54.93 0.68 Allowed 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 129.489 3.116 . . . . 0.0 112.336 -171.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.86 -33.71 74.67 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 176.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.8 p -113.11 8.51 18.33 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 174.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.0 pttt 30.01 25.9 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 117.432 2.382 . . . . 0.0 117.432 -171.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.44 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -95.26 130.93 41.83 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.338 1.055 . . . . 0.0 108.864 -174.299 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -80.34 121.63 25.92 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 112.43 -2.168 . . . . 0.0 112.46 175.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.749 ' HB2' HD11 ' A' ' 21' ' ' LEU . 67.0 m-85 -119.85 157.17 29.24 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 113.024 -1.898 . . . . 0.0 110.712 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.3 mtm105 -103.45 40.33 1.43 Allowed 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 114.769 -1.105 . . . . 0.0 113.961 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.4 m -139.15 178.2 7.35 Favored 'General case' 0 N--CA 1.484 1.23 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.29 -174.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -124.16 -65.48 1.05 Allowed 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 120.802 0.334 . . . . 0.0 111.683 170.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -61.34 -37.31 82.82 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 115.161 -0.927 . . . . 0.0 113.145 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.54 -39.48 76.72 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 116.996 -1.478 . . . . 0.0 112.588 171.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.749 HD11 ' HB2' ' A' ' 15' ' ' PHE . 4.9 mp -68.78 -46.15 69.47 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 175.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.25 -51.81 39.8 Favored Glycine 0 N--CA 1.484 1.837 0 O-C-N 124.514 1.134 . . . . 0.0 111.213 175.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.98 -39.21 97.79 Favored Glycine 0 CA--C 1.539 1.547 0 CA-C-N 113.837 -1.182 . . . . 0.0 113.126 173.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.605 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.0 t60 -72.53 -34.81 67.83 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 -172.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 17.6 ttt -64.9 -41.13 95.85 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.874 1.27 . . . . 0.0 111.96 173.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -65.94 -31.4 72.3 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 174.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.605 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.5 OUTLIER -68.95 -14.17 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 N-CA-C 114.212 1.189 . . . . 0.0 114.212 173.742 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 42.5 m170 -59.39 131.31 50.58 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.67 95.17 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 124.325 1.05 . . . . 0.0 110.844 175.274 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 60.49 169.79 0.09 Allowed 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 114.062 -1.427 . . . . 0.0 111.853 -176.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -75.67 -59.77 2.61 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 114.886 -1.052 . . . . 0.0 112.933 169.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 41.72 33.27 0.31 Allowed 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 127.163 2.185 . . . . 0.0 116.447 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -160.41 -176.43 5.6 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.501 1.521 . . . . 0.0 108.598 -171.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.14 -142.52 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.477 1.111 . . . . 0.0 110.059 177.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.4 mt 70.06 121.38 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 126.691 1.996 . . . . 0.0 110.45 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.4 -44.68 84.72 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 114.494 -1.23 . . . . 0.0 113.672 -174.006 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -127.51 -60.52 1.18 Allowed 'General case' 0 N--CA 1.483 1.181 0 CA-C-O 117.674 -1.155 . . . . 0.0 112.279 171.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.899 0 O-C-N 123.851 0.72 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.024 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.536 ' CD1' ' N ' ' A' ' 1' ' ' TRP . 0.0 OUTLIER 172.22 142.43 0.13 Allowed Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -69.11 158.65 57.0 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 124.279 3.319 . . . . 0.0 112.881 176.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -65.86 -36.25 32.15 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 123.116 2.544 . . . . 0.0 114.06 174.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -88.6 129.62 35.45 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.866 0.866 . . . . 0.0 110.128 175.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.424 ' HB3' ' HB3' ' A' ' 14' ' ' GLU . 0.4 OUTLIER 58.35 150.2 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.528 1.131 . . . . 0.0 113.715 -175.322 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -126.99 145.68 50.62 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 173.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.514 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 70.5 p -73.84 162.94 28.58 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 113.394 -1.73 . . . . 0.0 110.545 176.564 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.71 -2.92 27.3 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.6 p 68.83 -54.85 0.55 Allowed 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 128.736 2.815 . . . . 0.0 113.057 -168.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.27 -44.79 86.93 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 179.096 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.7 p -108.25 9.05 28.09 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 174.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 pttp 33.94 22.35 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 116.963 2.209 . . . . 0.0 116.963 -170.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.514 ' O ' ' HA ' ' A' ' 7' ' ' THR . 6.2 ttt-85 -81.11 133.36 35.46 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.862 0.865 . . . . 0.0 109.687 -174.357 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.424 ' HB3' ' HB3' ' A' ' 5' ' ' SER . 27.0 mt-10 -78.85 111.01 14.57 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 112.684 -2.053 . . . . 0.0 111.835 178.507 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.565 ' HB2' HD12 ' A' ' 21' ' ' LEU . 89.7 m-85 -109.73 133.88 52.63 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 114.122 -1.399 . . . . 0.0 111.106 176.604 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.4 ttm-85 -84.99 44.46 1.08 Allowed 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 123.272 1.511 . . . . 0.0 110.362 173.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.413 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 4.6 m -148.89 160.69 43.02 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 114.348 -1.296 . . . . 0.0 112.782 -172.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -116.04 -68.49 0.92 Allowed 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 114.614 -1.175 . . . . 0.0 111.558 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.424 ' H ' ' CD ' ' A' ' 19' ' ' GLN . 3.7 pm0 -53.45 -49.26 67.77 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 113.391 0.885 . . . . 0.0 113.391 174.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.413 ' HB3' ' HB3' ' A' ' 17' ' ' SER . . . -62.88 -26.99 69.05 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 114.432 -1.258 . . . . 0.0 113.631 176.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.565 HD12 ' HB2' ' A' ' 15' ' ' PHE . 5.2 tt -82.14 -52.01 7.41 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.062 0.945 . . . . 0.0 111.05 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.34 -47.25 83.94 Favored Glycine 0 N--CA 1.481 1.679 0 O-C-N 123.683 0.614 . . . . 0.0 112.212 177.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.36 -37.57 94.29 Favored Glycine 0 CA--C 1.539 1.549 0 CA-C-N 114.715 -0.743 . . . . 0.0 112.879 172.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.603 ' O ' HG12 ' A' ' 27' ' ' VAL . 1.7 t-80 -72.2 -35.18 68.87 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -174.465 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -42.97 99.47 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.071 1.748 . . . . 0.0 112.076 171.447 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -65.58 -36.15 82.91 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.361 0.664 . . . . 0.0 112.695 176.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.603 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.5 OUTLIER -66.56 -12.21 14.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 175.685 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 35.4 m170 -57.87 146.21 32.7 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 176.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -173.21 93.5 0.1 Allowed 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.243 1.017 . . . . 0.0 112.47 176.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.53 144.43 50.42 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 114.81 -1.086 . . . . 0.0 112.853 174.627 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.42 174.25 7.38 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 113.297 -1.774 . . . . 0.0 109.934 169.233 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 47.12 -154.41 0.06 Allowed 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.157 1.383 . . . . 0.0 111.788 -177.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 57.57 134.69 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 126.541 1.937 . . . . 0.0 115.463 176.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -143.89 90.35 2.12 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 114.338 -1.301 . . . . 0.0 111.556 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.7 mp 64.86 143.33 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 112.615 -2.084 . . . . 0.0 112.7 -176.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -87.56 105.63 17.46 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 178.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -151.23 88.94 1.47 Allowed 'General case' 0 C--O 1.27 2.139 0 CA-C-N 113.653 -1.612 . . . . 0.0 114.434 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.445 1 CA-C-N 26.804 -41.089 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.634 ' O ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.232 0.144 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.525 ' CG ' ' O ' ' A' ' 1' ' ' TRP . 4.0 p-90 -40.15 95.93 0.1 Allowed Pre-proline 0 C--N 1.323 -0.573 0 O-C-N 124.515 1.135 . . . . 0.0 107.996 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.634 ' HD3' ' O ' ' A' ' 0' ' ' ACE . 74.3 Cg_endo -66.45 147.58 82.71 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 123.318 2.679 . . . . 0.0 112.062 177.549 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -76.34 72.06 5.59 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.012 2.474 . . . . 0.0 111.94 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -143.61 -176.64 5.04 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.685 1.594 . . . . 0.0 110.863 -178.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.5 p -60.87 147.58 42.47 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 122.146 0.975 . . . . 0.0 112.643 173.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.514 ' HB3' HD22 ' A' ' 21' ' ' LEU . 2.6 m-85 -132.69 156.65 46.61 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 113.346 -1.752 . . . . 0.0 114.016 -178.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.505 HG22 ' H ' ' A' ' 9' ' ' SER . 3.0 m -108.69 156.01 20.07 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.313 1.445 . . . . 0.0 109.77 -177.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.34 -8.26 23.57 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -178.176 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.505 ' H ' HG22 ' A' ' 7' ' ' THR . 21.4 p 72.92 -52.05 0.71 Allowed 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 129.608 3.163 . . . . 0.0 112.546 -170.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.409 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.3 OUTLIER -68.41 -45.09 73.59 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.7 p -95.7 3.47 53.87 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 172.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt 34.38 23.84 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 117.999 2.592 . . . . 0.0 117.999 -172.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.5 mtp85 -97.04 129.97 44.41 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.478 1.111 . . . . 0.0 110.437 -177.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -70.43 123.61 22.17 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 110.552 -3.022 . . . . 0.0 111.796 173.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.691 ' HB2' HD11 ' A' ' 21' ' ' LEU . 69.9 m-85 -121.27 166.7 13.64 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 113.325 -1.761 . . . . 0.0 110.245 176.424 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -107.28 31.62 5.25 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 -177.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.0 m -140.27 178.37 7.34 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.999 -171.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.49 -66.41 1.01 Allowed 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.325 171.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -59.46 -39.99 85.45 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.06 -37.6 66.96 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 117.676 -1.154 . . . . 0.0 112.713 172.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.691 HD11 ' HB2' ' A' ' 15' ' ' PHE . 6.4 mp -74.41 -43.65 55.41 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 176.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.16 -51.16 42.85 Favored Glycine 0 N--CA 1.481 1.664 0 O-C-N 124.454 1.097 . . . . 0.0 110.835 173.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.73 -39.46 97.51 Favored Glycine 0 CA--C 1.539 1.57 0 CA-C-N 113.673 -1.263 . . . . 0.0 113.256 173.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.603 ' O ' HG12 ' A' ' 27' ' ' VAL . 1.7 t-80 -73.05 -33.53 65.73 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -172.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -63.95 -41.51 97.56 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.588 1.555 . . . . 0.0 112.137 172.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -65.01 -33.63 76.51 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 174.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.603 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.5 OUTLIER -69.41 -9.01 11.54 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.972 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 174.622 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.409 ' CE1' ' HB3' ' A' ' 10' ' ' PHE . 39.3 m170 -62.91 176.94 0.62 Allowed 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.109 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.4 ttp85 67.42 98.16 0.05 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.503 1.521 . . . . 0.0 110.831 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.2 mtt180 56.8 85.55 0.08 Allowed 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 113.095 -1.866 . . . . 0.0 114.109 -175.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -48.38 -47.6 37.34 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 113.139 -1.846 . . . . 0.0 114.963 -178.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 57.02 -77.92 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.839 1.655 . . . . 0.0 114.439 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -131.91 74.49 1.59 Allowed 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 122.81 1.29 . . . . 0.0 109.194 172.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.95 82.15 8.24 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 114.653 -1.158 . . . . 0.0 108.539 -177.608 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 66.01 106.67 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 112.081 -2.327 . . . . 0.0 112.513 -175.382 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -118.44 139.61 51.14 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 113.507 -1.679 . . . . 0.0 108.963 -177.319 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 mt 56.07 25.38 8.86 Favored 'General case' 0 C--O 1.27 2.159 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 176.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.438 1 CA-C-N 92.015 -11.448 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.075 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 178.6 133.95 0.23 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.617 1.198 . . . . 0.0 107.906 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -63.65 152.43 80.43 Favored 'Trans proline' 0 N--CA 1.483 0.886 0 C-N-CA 123.318 2.679 . . . . 0.0 110.682 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -72.55 -160.38 0.09 OUTLIER 'Trans proline' 0 CA--C 1.543 0.942 0 C-N-CA 122.091 1.861 . . . . 0.0 112.523 176.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 66.31 -151.12 0.22 Allowed 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 126.547 1.939 . . . . 0.0 111.044 177.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 p -67.25 144.32 56.0 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.84 0.856 . . . . 0.0 112.347 175.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -118.26 150.75 38.93 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 113.855 1.058 . . . . 0.0 113.855 -176.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.8 p -75.77 160.86 29.56 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 114.386 -1.279 . . . . 0.0 111.194 178.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.8 -4.64 24.63 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.5 p 70.28 -55.02 0.62 Allowed 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 128.697 2.799 . . . . 0.0 112.829 -169.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.29 -38.14 90.0 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 179.09 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.9 p -117.11 12.06 14.38 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 173.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.8 pttt 32.99 25.43 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 116.019 1.859 . . . . 0.0 116.019 -169.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -92.17 126.85 37.42 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.961 0.886 . . . . 0.0 110.67 -169.435 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -71.33 111.64 6.82 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 111.547 -2.57 . . . . 0.0 112.773 -176.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -109.72 131.85 54.68 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 113.561 -1.654 . . . . 0.0 112.52 176.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -83.61 39.43 0.68 Allowed 'General case' 0 N--CA 1.484 1.238 0 CA-C-N 114.172 -1.376 . . . . 0.0 112.458 170.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.444 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 75.1 m -136.75 137.98 40.46 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 114.588 -1.187 . . . . 0.0 111.095 -170.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.61 -78.55 0.16 Allowed 'General case' 0 N--CA 1.48 1.049 0 O-C-N 124.444 1.09 . . . . 0.0 110.498 169.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.42 -46.02 91.87 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 114.781 1.401 . . . . 0.0 114.781 178.332 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.444 ' HB3' ' HB3' ' A' ' 17' ' ' SER . . . -68.0 -0.14 4.12 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 176.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.6 tt -100.35 -54.21 2.92 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.629 0.772 . . . . 0.0 109.778 166.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.84 -48.18 67.96 Favored Glycine 0 N--CA 1.484 1.873 0 O-C-N 123.661 0.601 . . . . 0.0 112.644 177.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.67 -37.63 95.02 Favored Glycine 0 CA--C 1.537 1.443 0 CA-C-N 114.203 -0.999 . . . . 0.0 112.474 172.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.598 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.2 t-80 -70.11 -35.18 73.95 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -178.364 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -44.32 97.07 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.183 1.793 . . . . 0.0 111.828 171.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -65.78 -32.11 73.47 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 175.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.598 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.8 OUTLIER -68.18 -11.29 14.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 174.064 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 37.9 m170 -61.16 120.62 10.68 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 177.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -172.53 52.14 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 177.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 52.17 80.76 0.09 Allowed 'General case' 0 N--CA 1.485 1.288 0 CA-C-O 122.633 1.206 . . . . 0.0 111.331 -174.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -75.43 -58.94 2.98 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.172 -178.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.8 -31.56 6.69 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 173.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -152.64 152.34 31.66 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.249 1.42 . . . . 0.0 110.273 177.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.98 105.7 6.12 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 114.052 -1.431 . . . . 0.0 109.515 176.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.0 mt 63.66 119.13 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.294 0 O-C-N 124.982 1.426 . . . . 0.0 113.092 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.27 94.72 1.0 Allowed 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.09 -175.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.25 43.37 0.08 Allowed 'General case' 0 C--O 1.27 2.141 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 176.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.431 1 CA-C-N 34.015 -37.812 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.035 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 11.0 m0 66.34 142.91 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 108.003 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.28 150.63 71.34 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 123.511 2.807 . . . . 0.0 112.917 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -65.89 -9.0 21.46 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 123.387 2.725 . . . . 0.0 115.498 175.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -58.29 -179.71 0.06 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.574 1.15 . . . . 0.0 111.403 176.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.78 130.61 33.36 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.758 0.823 . . . . 0.0 113.042 -176.434 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -111.56 154.83 24.25 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 114.038 -1.437 . . . . 0.0 113.06 -176.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.656 HG22 ' H ' ' A' ' 9' ' ' SER . 7.0 m -96.22 154.74 17.09 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.575 1.55 . . . . 0.0 109.991 -175.311 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.95 -13.81 16.76 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -178.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.656 ' H ' HG22 ' A' ' 7' ' ' THR . 20.9 p 74.03 -52.97 0.69 Allowed 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 129.419 3.087 . . . . 0.0 112.594 -171.398 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.24 -36.06 80.86 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 177.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.3 p -117.9 14.04 14.13 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 172.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 29.38 23.86 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 118.493 2.775 . . . . 0.0 118.493 -169.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.468 ' O ' ' HA ' ' A' ' 7' ' ' THR . 7.6 mtp-105 -85.13 140.76 30.7 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.846 1.258 . . . . 0.0 111.626 -178.312 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -88.61 115.84 26.43 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 111.346 -2.661 . . . . 0.0 110.957 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.851 ' HB2' HD12 ' A' ' 21' ' ' LEU . 47.6 m-85 -110.3 132.87 53.79 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 112.988 -1.915 . . . . 0.0 109.975 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.18 48.88 1.64 Allowed 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 113.271 -1.786 . . . . 0.0 109.191 174.409 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.418 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 30.4 m -156.2 158.74 38.12 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 114.335 -1.302 . . . . 0.0 112.46 -169.581 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.91 -69.41 0.86 Allowed 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 114.103 -1.408 . . . . 0.0 111.498 177.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -58.51 -52.75 64.33 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.915 0.886 . . . . 0.0 111.758 177.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.418 ' HB3' ' HB3' ' A' ' 17' ' ' SER . . . -54.16 -30.88 50.9 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 174.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.851 HD12 ' HB2' ' A' ' 15' ' ' PHE . 5.9 tt -81.14 -51.03 8.89 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.991 0.917 . . . . 0.0 112.046 177.719 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.53 -46.28 58.72 Favored Glycine 0 N--CA 1.483 1.796 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 176.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.05 -37.64 95.27 Favored Glycine 0 CA--C 1.539 1.57 0 CA-C-N 113.927 -1.137 . . . . 0.0 112.834 170.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.646 ' O ' HG12 ' A' ' 27' ' ' VAL . 1.5 t-80 -72.05 -35.62 69.37 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -171.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.33 -43.92 98.06 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 126.16 1.784 . . . . 0.0 111.747 172.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -65.34 -34.46 78.39 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 176.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.646 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -62.63 -16.4 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 175.077 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.42 ' HA ' ' OD2' ' A' ' 31' ' ' ASP . 36.3 m170 -59.52 -63.8 1.17 Allowed 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 178.488 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.76 71.35 0.32 Allowed 'General case' 0 N--CA 1.48 1.066 0 CA-C-O 122.766 1.269 . . . . 0.0 113.334 176.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.2 mpp_? 46.46 74.78 0.14 Allowed 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 115.785 1.772 . . . . 0.0 115.785 -171.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.42 ' OD2' ' HA ' ' A' ' 28' ' ' HIS . 26.5 m-20 -81.13 -70.01 0.56 Allowed 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 113.531 -1.668 . . . . 0.0 115.104 177.241 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.4 ttt180 54.34 80.94 0.11 Allowed 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 126.001 1.721 . . . . 0.0 112.555 -178.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 46.28 81.06 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 123.342 1.544 . . . . 0.0 114.201 -176.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.413 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -102.58 91.27 4.14 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 113.166 -1.834 . . . . 0.0 111.183 -174.525 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 46.5 45.26 13.81 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 113.75 -1.568 . . . . 0.0 114.55 -178.485 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -155.02 151.27 28.24 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 114.648 -1.16 . . . . 0.0 112.276 -168.159 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tt -120.95 94.23 4.28 Favored 'General case' 0 C--O 1.27 2.168 0 CA-C-O 116.964 -1.493 . . . . 0.0 112.345 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.448 1 CA-C-N 98.041 -8.709 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.042 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 5.8 m0 72.44 145.9 0.11 Allowed Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -68.03 158.77 55.93 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 124.226 3.284 . . . . 0.0 113.428 176.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.55 -38.57 14.12 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 123.474 2.782 . . . . 0.0 113.935 173.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.8 mtt180 -94.18 129.27 40.84 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 121.803 0.811 . . . . 0.0 113.075 176.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.4 p 57.99 151.28 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 111.598 -2.546 . . . . 0.0 111.998 -171.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.496 ' HB2' HD13 ' A' ' 21' ' ' LEU . 91.0 m-85 -126.44 148.33 49.67 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 114.355 -1.293 . . . . 0.0 112.48 175.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.661 HG22 ' H ' ' A' ' 9' ' ' SER . 92.4 m -90.49 151.51 21.34 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 113.644 -1.616 . . . . 0.0 109.955 177.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.77 -15.22 18.53 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -177.17 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.661 ' H ' HG22 ' A' ' 7' ' ' THR 0.27 16.4 p 77.29 -56.03 0.53 Allowed 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 128.623 2.769 . . . . 0.0 111.905 -172.335 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -59.88 -39.73 86.27 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 175.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.414 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 26.3 p -106.98 6.69 29.36 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 118.442 -1.303 . . . . 0.0 108.311 176.536 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.436 ' HA ' HG23 ' A' ' 7' ' ' THR . 0.0 OUTLIER 33.01 23.34 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 117.626 2.454 . . . . 0.0 117.626 -169.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.414 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 8.3 mtp85 -98.91 141.88 31.12 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 114.337 -1.301 . . . . 0.0 110.974 -175.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -91.94 117.08 29.47 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 111.455 -2.612 . . . . 0.0 110.744 -176.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.94 ' HB2' HD12 ' A' ' 21' ' ' LEU . 3.5 m-85 -106.4 134.77 49.02 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 113.967 -1.469 . . . . 0.0 111.056 177.036 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.614 ' H ' ' HD3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -81.02 40.14 0.53 Allowed 'General case' 0 N--CA 1.482 1.137 0 CA-C-O 123.786 1.755 . . . . 0.0 112.002 170.373 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.504 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 41.6 m -139.28 158.92 43.32 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 113.701 -1.59 . . . . 0.0 111.631 -171.27 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -114.66 -73.47 0.65 Allowed 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 114.405 -1.271 . . . . 0.0 111.216 174.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.96 -41.68 98.27 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.504 ' HB3' ' HB3' ' A' ' 17' ' ' SER . . . -58.42 -36.05 73.0 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 118.368 -0.825 . . . . 0.0 113.027 173.687 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.94 HD12 ' HB2' ' A' ' 15' ' ' PHE . 6.0 tt -75.2 -48.57 22.87 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.523 0.729 . . . . 0.0 112.227 179.05 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.97 -48.44 58.03 Favored Glycine 0 N--CA 1.483 1.823 0 O-C-N 124.034 0.834 . . . . 0.0 111.487 174.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.34 -35.68 91.99 Favored Glycine 0 CA--C 1.539 1.567 0 CA-C-N 113.844 -1.178 . . . . 0.0 113.28 171.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.635 ' O ' HG12 ' A' ' 27' ' ' VAL . 1.8 t60 -72.39 -35.95 68.56 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -172.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.9 ttt -62.49 -42.61 99.61 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.981 1.313 . . . . 0.0 111.843 172.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -63.22 -36.07 82.44 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 174.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.635 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.4 OUTLIER -65.53 -15.32 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 176.034 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 44.1 m170 -59.72 -76.21 0.05 OUTLIER 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.048 0.539 . . . . 0.0 109.583 178.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -173.55 129.09 0.43 Allowed 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 176.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.5 ttt180 65.59 147.81 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.862 0 O-C-N 126.376 2.298 . . . . 0.0 112.517 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -104.82 93.48 4.76 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 113.366 -1.743 . . . . 0.0 111.283 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 64.8 mtm180 -59.51 147.53 36.45 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 114.442 -1.254 . . . . 0.0 111.731 175.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.4 133.2 40.45 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 114.776 -1.102 . . . . 0.0 112.238 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -111.9 118.43 35.48 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 114.262 -1.336 . . . . 0.0 109.245 -177.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 60.26 85.86 0.1 Allowed 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 113.273 -1.785 . . . . 0.0 113.157 -176.444 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -119.66 157.62 28.11 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 113.518 -1.674 . . . . 0.0 111.762 -179.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 mp -97.52 79.02 2.7 Favored 'General case' 0 C--O 1.27 2.167 0 CA-C-O 117.022 -1.466 . . . . 0.0 113.912 174.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.425 1 CA-C-N 64.985 -23.734 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.011 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 16.9 t-105 -143.36 60.54 8.92 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 108.025 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -73.81 150.46 44.43 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 122.118 1.879 . . . . 0.0 111.383 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -71.07 44.34 0.53 Allowed 'Trans proline' 0 CA--C 1.547 1.164 0 C-N-CA 123.45 2.767 . . . . 0.0 116.082 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -164.06 28.03 0.08 Allowed 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.604 1.562 . . . . 0.0 113.873 177.033 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.588 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 96.2 p -166.95 135.68 2.75 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.787 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -144.08 165.27 28.26 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 124.932 1.395 . . . . 0.0 111.357 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.585 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 74.8 p -98.32 161.7 13.56 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 125.085 1.354 . . . . 0.0 111.366 177.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.33 -6.52 34.09 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -175.72 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.2 p 68.95 -54.5 0.56 Allowed 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 128.786 2.834 . . . . 0.0 112.934 -168.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.38 -36.81 84.94 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 178.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.2 p -116.77 8.54 13.7 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 173.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.7 pttt 36.17 16.67 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 117.21 2.3 . . . . 0.0 117.21 -170.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.585 ' O ' ' HA ' ' A' ' 7' ' ' THR . 2.4 tpp180 -77.19 136.82 38.59 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.22 1.008 . . . . 0.0 110.172 -173.589 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -75.79 121.54 22.74 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 113.415 -1.72 . . . . 0.0 112.272 173.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.738 ' HB2' HD12 ' A' ' 21' ' ' LEU . 75.3 m-85 -115.61 160.69 19.68 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-N 112.901 -1.954 . . . . 0.0 109.965 175.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.4 mtt85 -115.23 35.59 4.29 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 114.891 -1.05 . . . . 0.0 113.498 -177.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.525 ' OG ' ' HB3' ' A' ' 20' ' ' ALA . 16.9 p -169.23 139.58 2.23 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 115.179 -0.919 . . . . 0.0 113.368 -176.004 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.11 -55.65 15.39 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 113.91 -1.495 . . . . 0.0 114.047 -179.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -68.87 -46.98 67.04 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 -178.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.525 ' HB3' ' OG ' ' A' ' 17' ' ' SER . . . -66.7 -4.19 8.36 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 174.016 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.738 HD12 ' HB2' ' A' ' 15' ' ' PHE . 3.7 tt -99.31 -51.51 3.78 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 118.613 -0.708 . . . . 0.0 111.867 166.583 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.95 -47.48 72.31 Favored Glycine 0 N--CA 1.484 1.869 0 O-C-N 123.424 0.453 . . . . 0.0 112.258 176.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.81 -39.31 96.5 Favored Glycine 0 CA--C 1.536 1.381 0 CA-C-N 113.988 -1.106 . . . . 0.0 112.551 172.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.614 ' O ' HG12 ' A' ' 27' ' ' VAL . 3.8 t-80 -70.69 -34.28 71.81 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 117.382 0.591 . . . . 0.0 109.595 -177.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -63.95 -44.78 91.79 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.098 0.959 . . . . 0.0 111.918 172.047 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -63.86 -33.13 75.0 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 176.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.614 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -67.19 -11.65 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 173.521 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 37.3 m170 -62.11 176.91 0.52 Allowed 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 175.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 56.59 68.14 0.9 Allowed 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -175.589 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -163.13 112.94 1.35 Allowed 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 113.856 -1.52 . . . . 0.0 109.461 177.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.18 90.31 2.93 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 115.086 -0.961 . . . . 0.0 111.337 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.56 90.38 0.2 Allowed 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 114.036 -1.438 . . . . 0.0 111.772 -179.416 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -169.43 142.3 2.61 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.068 1.347 . . . . 0.0 110.181 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -165.83 85.28 0.34 Allowed 'General case' 0 N--CA 1.481 1.109 0 O-C-N 124.616 1.198 . . . . 0.0 108.624 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 35.0 mt 55.19 -175.6 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 114.274 -1.33 . . . . 0.0 112.948 -177.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -111.86 91.45 3.66 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 121.663 0.744 . . . . 0.0 110.296 175.291 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.1 mp 65.85 94.77 0.06 Allowed 'General case' 0 C--O 1.27 2.153 0 N-CA-C 115.783 1.771 . . . . 0.0 115.783 -177.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.435 1 CA-C-N 25.99 -41.459 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.161 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 61.6 t-105 63.21 75.72 0.39 Allowed Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.468 1.105 . . . . 0.0 108.019 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -75.03 149.85 37.16 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 123.519 2.813 . . . . 0.0 112.037 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -71.03 -39.94 3.73 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.968 2.446 . . . . 0.0 114.038 175.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 36.8 mtp85 -98.73 132.23 44.27 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.215 1.006 . . . . 0.0 109.423 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.528 ' HB2' ' HB2' ' A' ' 14' ' ' GLU . 4.8 p 60.77 128.75 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 126.769 2.028 . . . . 0.0 112.732 -170.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -125.22 145.63 49.89 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 113.501 -1.682 . . . . 0.0 112.769 177.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.666 HG22 ' H ' ' A' ' 9' ' ' SER . 90.4 m -88.16 153.66 21.07 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 113.362 -1.745 . . . . 0.0 110.603 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.98 -14.89 17.68 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 -177.555 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.666 ' H ' HG22 ' A' ' 7' ' ' THR . 22.7 p 75.97 -53.22 0.62 Allowed 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 129.753 3.221 . . . . 0.0 111.976 -172.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.41 -35.55 80.78 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 113.936 -1.483 . . . . 0.0 114.857 177.298 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.423 ' SG ' ' HB3' ' A' ' 13' ' ' ARG . 31.3 p -114.21 10.65 17.32 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 173.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.496 ' HA ' HG23 ' A' ' 7' ' ' THR . 10.5 pttp 32.67 18.45 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 118.339 2.718 . . . . 0.0 118.339 -169.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.469 ' O ' ' HA ' ' A' ' 7' ' ' THR . 31.4 ttm-85 -91.89 140.22 29.89 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.4 1.08 . . . . 0.0 109.976 -172.388 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.528 ' HB2' ' HB2' ' A' ' 5' ' ' SER . 1.1 pm0 -86.51 119.34 26.66 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 111.41 -2.632 . . . . 0.0 112.048 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.807 ' HB2' HD12 ' A' ' 21' ' ' LEU . 83.2 m-85 -113.73 131.28 56.24 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 113.24 -1.8 . . . . 0.0 110.73 177.311 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -75.43 31.69 0.1 Allowed 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 114.626 -1.17 . . . . 0.0 112.893 169.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.43 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 19.9 m -133.97 158.52 43.3 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.391 1.076 . . . . 0.0 112.069 -169.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.42 -67.92 0.96 Allowed 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 114.084 -1.416 . . . . 0.0 111.345 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -58.32 -52.55 65.12 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.833 0.853 . . . . 0.0 111.632 177.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.43 ' HB3' ' HB3' ' A' ' 17' ' ' SER . . . -55.48 -31.57 62.11 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 175.536 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.807 HD12 ' HB2' ' A' ' 15' ' ' PHE . 5.8 tt -80.28 -50.61 9.97 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.83 0.852 . . . . 0.0 112.047 179.173 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.1 -46.73 69.45 Favored Glycine 0 N--CA 1.484 1.852 0 O-C-N 123.886 0.741 . . . . 0.0 111.508 176.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.51 -37.62 94.99 Favored Glycine 0 CA--C 1.54 1.637 0 CA-C-N 113.922 -1.139 . . . . 0.0 112.74 171.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.65 ' O ' HG12 ' A' ' 27' ' ' VAL . 1.6 t60 -72.1 -36.62 69.52 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -172.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -43.54 93.15 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.414 1.885 . . . . 0.0 111.264 172.301 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -65.91 -37.2 85.46 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 177.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.65 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -61.4 -17.23 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 114.236 1.199 . . . . 0.0 114.236 175.8 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 40.6 m170 -59.17 -62.54 1.81 Allowed 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 177.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.4 mtt85 52.06 120.58 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 116.431 2.011 . . . . 0.0 116.431 -171.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.8 mtm180 -74.43 71.06 1.78 Allowed 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 122.484 1.135 . . . . 0.0 113.414 172.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.5 p30 -135.54 21.83 3.38 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 113.238 -1.801 . . . . 0.0 114.7 176.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -135.31 136.33 41.5 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 107.294 -1.372 . . . . 0.0 107.294 177.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.22 144.84 44.89 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.642 171.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.444 ' HD3' ' H ' ' A' ' 34' ' ' ARG . 1.6 mpp_? -46.32 -48.9 18.18 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 -174.269 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 42.9 mt 45.06 68.34 0.58 Allowed 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.678 1.591 . . . . 0.0 113.105 174.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.99 144.55 56.14 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 114.512 -1.222 . . . . 0.0 111.173 -175.62 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 1.085 ' CG ' ' N ' ' A' ' 38' ' ' NH2 . 0.4 OUTLIER -109.75 -96.38 0.4 Allowed 'General case' 0 C--O 1.27 2.171 0 CA-C-N 113.646 -1.616 . . . . 0.0 113.868 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . 1.085 ' N ' ' CG ' ' A' ' 37' ' ' LEU . . . . . . . . 0 C--N 1.302 -1.464 1 CA-C-N 78.841 -17.436 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.526 ' O ' ' CG ' ' A' ' 1' ' ' TRP . . . . . . . . 0 C--O 1.231 0.1 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.526 ' CG ' ' O ' ' A' ' 0' ' ' ACE . 1.4 m0 163.05 139.24 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.443 ' HG2' ' HB2' ' A' ' 5' ' ' SER . 53.5 Cg_endo -68.84 151.98 73.92 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 123.389 2.726 . . . . 0.0 113.656 177.064 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -63.8 -59.29 0.21 Allowed 'Trans proline' 0 N--CA 1.478 0.605 0 C-N-CA 123.366 2.711 . . . . 0.0 114.793 -179.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.79 33.68 2.25 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 -178.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.515 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 17.3 m -157.45 141.44 16.05 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.18 -175.577 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.481 ' O ' ' HA ' ' A' ' 14' ' ' GLU . 79.4 m-85 -141.63 172.97 11.96 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.371 1.068 . . . . 0.0 112.748 -179.08 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.595 HG22 ' H ' ' A' ' 9' ' ' SER . 8.1 m -104.72 154.34 20.12 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 125.95 1.7 . . . . 0.0 109.863 -176.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.23 -14.47 18.46 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -176.581 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.595 ' H ' HG22 ' A' ' 7' ' ' THR . 20.0 p 75.52 -53.03 0.65 Allowed 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 129.441 3.097 . . . . 0.0 112.337 -172.247 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.39 -31.9 73.29 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 177.232 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.0 p -115.26 9.36 15.71 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 173.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 pttp 31.34 25.42 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 117.519 2.414 . . . . 0.0 117.519 -171.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 ttm-85 -105.07 140.13 38.71 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.976 0.894 . . . . 0.0 110.329 -172.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.481 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -80.07 123.89 28.26 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 112.924 -1.944 . . . . 0.0 112.821 178.258 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.515 ' O ' ' HA ' ' A' ' 5' ' ' SER . 8.1 m-85 -114.02 154.11 28.23 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 113.035 -1.893 . . . . 0.0 111.648 176.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -109.27 46.15 1.01 Allowed 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 114.713 -1.13 . . . . 0.0 113.907 -174.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.629 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 21.1 p -174.42 140.81 0.66 Allowed 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 115.17 -0.923 . . . . 0.0 113.083 -177.023 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.87 -55.81 11.48 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 114.789 -1.096 . . . . 0.0 112.954 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -48.07 64.0 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.516 ' HB3' ' OG ' ' A' ' 17' ' ' SER . . . -71.71 4.44 3.22 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 174.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.629 ' HB2' ' O ' ' A' ' 17' ' ' SER . 0.4 OUTLIER -101.86 -53.14 3.02 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.885 0.874 . . . . 0.0 111.421 163.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.19 -46.93 84.69 Favored Glycine 0 N--CA 1.483 1.794 0 O-C-N 123.512 0.508 . . . . 0.0 112.546 176.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.15 -38.88 95.78 Favored Glycine 0 CA--C 1.537 1.416 0 CA-C-N 114.233 -0.983 . . . . 0.0 112.454 172.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.612 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.3 t60 -69.76 -36.34 75.69 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 117.479 0.64 . . . . 0.0 109.622 -177.338 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -45.35 92.33 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.597 1.959 . . . . 0.0 111.381 172.345 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -66.05 -31.19 71.93 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 176.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.612 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.5 OUTLIER -69.84 -8.48 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 173.44 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 43.5 m170 -65.71 -178.68 0.58 Allowed 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 176.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 32.1 ptt180 178.11 136.28 0.08 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 126.129 1.772 . . . . 0.0 107.802 177.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -59.66 131.93 52.43 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.413 167.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -158.34 134.67 9.38 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 114.141 -1.39 . . . . 0.0 107.905 -178.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.99 -159.32 0.07 Allowed 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 125.983 1.713 . . . . 0.0 112.889 -174.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.64 -79.98 0.05 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.643 0.777 . . . . 0.0 111.099 169.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -168.71 88.49 0.21 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.306 1.442 . . . . 0.0 109.462 173.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.314 1.6 pp 42.24 -145.01 0.06 Allowed 'General case' 0 N--CA 1.484 1.245 0 CA-C-O 117.06 -1.448 . . . . 0.0 113.171 -178.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 46.83 90.3 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 172.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 mp 60.71 35.15 19.78 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.606 1.162 . . . . 0.0 113.937 -167.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.032 1 CA-C-N 83.978 -15.101 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.645 ' O ' ' CG ' ' A' ' 1' ' ' TRP . . . . . . . . 0 C--O 1.23 0.062 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.645 ' CG ' ' O ' ' A' ' 0' ' ' ACE . 0.8 OUTLIER 61.32 132.26 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -70.62 155.32 63.33 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 123.769 2.979 . . . . 0.0 112.58 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -62.3 -18.11 60.84 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.26 2.64 . . . . 0.0 114.681 174.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 26.0 ptt180 -108.35 116.46 32.0 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.436 1.494 . . . . 0.0 109.32 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.2 m 63.1 154.59 0.05 OUTLIER 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -117.16 131.9 56.78 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 176.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.489 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 41.5 p -71.0 159.97 33.78 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 113.533 -1.667 . . . . 0.0 110.805 174.629 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -104.34 -5.3 21.89 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -177.186 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.0 p 69.84 -54.73 0.6 Allowed 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 128.655 2.782 . . . . 0.0 112.491 -169.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.07 -38.92 84.28 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.506 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 4.4 p -119.29 12.54 12.57 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 174.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 28.13 29.12 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 117.235 2.309 . . . . 0.0 117.235 -168.079 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.506 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -80.86 120.75 25.1 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.842 1.657 . . . . 0.0 110.791 -177.453 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -74.34 111.73 9.8 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 112.819 -1.991 . . . . 0.0 111.634 177.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.582 ' CG ' HD23 ' A' ' 21' ' ' LEU . 7.4 m-85 -110.34 132.1 54.48 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 114.592 -1.185 . . . . 0.0 113.547 176.576 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -77.86 47.36 0.63 Allowed 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 123.566 1.65 . . . . 0.0 112.047 169.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.2 m -153.03 158.36 41.87 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 113.727 -1.579 . . . . 0.0 111.803 -171.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -114.71 -71.76 0.73 Allowed 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 113.748 -1.569 . . . . 0.0 110.879 174.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -63.88 -42.58 97.45 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 -178.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.76 -40.33 79.5 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 173.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.582 HD23 ' CG ' ' A' ' 15' ' ' PHE . 3.1 tm? -72.0 -42.84 65.96 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.767 0.827 . . . . 0.0 112.241 176.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.63 -48.92 68.07 Favored Glycine 0 N--CA 1.482 1.736 0 C-N-CA 123.606 0.622 . . . . 0.0 112.474 174.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.59 -37.65 94.54 Favored Glycine 0 CA--C 1.54 1.596 0 CA-C-N 114.917 -0.642 . . . . 0.0 112.984 172.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.6 ' O ' HG12 ' A' ' 27' ' ' VAL . 3.3 t60 -71.93 -35.69 69.72 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.094 0.558 . . . . 0.0 109.615 -174.125 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.469 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -61.77 -45.16 95.1 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.173 1.789 . . . . 0.0 111.656 171.678 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -63.31 -39.17 93.81 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 176.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.6 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.5 OUTLIER -63.76 -7.97 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 176.466 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.469 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 12.6 m-70 -62.65 -21.56 65.79 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 175.656 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.6 mmt-85 60.1 56.04 3.49 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.598 -1.314 . . . . 0.0 113.978 173.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -171.46 158.55 5.26 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.572 -174.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 76.42 -136.06 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 126.957 2.103 . . . . 0.0 109.466 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -54.15 143.34 22.88 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.676 1.59 . . . . 0.0 111.922 172.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 59.83 109.23 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 125.642 1.577 . . . . 0.0 113.47 -175.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -64.5 -72.54 0.14 Allowed 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 114.265 -1.334 . . . . 0.0 112.667 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.4 mt 46.34 65.53 1.17 Allowed 'General case' 0 N--CA 1.483 1.208 0 CA-C-O 123.101 1.429 . . . . 0.0 114.555 178.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -135.51 162.15 33.46 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 113.227 -1.806 . . . . 0.0 110.043 -175.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.22 65.89 0.0 OUTLIER 'General case' 0 C--O 1.253 1.26 0 N-CA-C 115.394 1.628 . . . . 0.0 115.394 176.653 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.051 1 CA-C-N 27.931 -40.577 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.406 ' HA ' ' CE3' ' A' ' 1' ' ' TRP . 10.5 m95 -117.36 79.18 11.4 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.532 1.145 . . . . 0.0 108.1 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.498 ' HG2' ' CE2' ' A' ' 6' ' ' TYR . 62.2 Cg_endo -69.13 152.85 72.55 Favored 'Trans proline' 0 CA--C 1.544 0.991 0 C-N-CA 122.759 2.306 . . . . 0.0 112.133 179.478 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -69.01 -173.44 0.61 Allowed 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 122.669 2.246 . . . . 0.0 111.983 176.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.2 mtm180 64.74 164.14 0.14 Allowed 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 125.234 1.414 . . . . 0.0 113.532 -173.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 49.5 m -63.45 136.24 57.47 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 114.312 -1.313 . . . . 0.0 112.467 176.681 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.498 ' CE2' ' HG2' ' A' ' 2' ' ' PRO . 67.9 m-85 -133.53 154.31 50.94 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 114.521 -1.218 . . . . 0.0 114.149 175.004 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.402 ' HB ' ' HA ' ' A' ' 12' ' ' LYS . 79.4 p -78.74 162.97 25.78 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 114.224 -1.353 . . . . 0.0 110.832 176.405 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.44 -4.15 29.5 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -178.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.265 17.1 p 67.81 -58.91 0.43 Allowed 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 127.434 2.294 . . . . 0.0 112.788 -167.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -58.95 -42.47 89.9 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.868 1.432 . . . . 0.0 114.868 176.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.5 p -116.02 12.66 15.71 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.402 ' HA ' ' HB ' ' A' ' 7' ' ' THR . 0.0 OUTLIER 28.63 26.94 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 118.131 2.641 . . . . 0.0 118.131 -169.56 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.4 ' O ' ' HA ' ' A' ' 7' ' ' THR . 21.5 ttm-85 -83.42 131.65 35.02 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 121.985 0.898 . . . . 0.0 110.028 -176.391 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -72.26 110.91 7.03 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 112.031 -2.349 . . . . 0.0 112.641 175.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.405 ' O ' ' HA ' ' A' ' 5' ' ' SER . 18.7 m-85 -105.18 131.77 52.24 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 112.718 -2.037 . . . . 0.0 111.013 173.019 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.03 24.78 0.89 Allowed 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 113.118 -1.856 . . . . 0.0 113.217 176.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.489 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 34.7 p -160.5 133.6 6.62 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-O 122.566 1.174 . . . . 0.0 113.792 -167.613 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.0 -66.97 0.46 Allowed 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 112.568 -2.105 . . . . 0.0 114.105 -178.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -64.17 -42.06 96.86 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 114.225 1.195 . . . . 0.0 114.225 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.481 ' HB3' ' OG ' ' A' ' 17' ' ' SER . . . -68.89 -6.42 27.14 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 174.011 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.489 ' HB2' ' O ' ' A' ' 17' ' ' SER . 2.7 tt -94.52 -52.87 4.12 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 118.61 -0.709 . . . . 0.0 110.642 166.733 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.32 -49.14 70.33 Favored Glycine 0 N--CA 1.485 1.938 0 O-C-N 123.436 0.46 . . . . 0.0 113.4 177.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.9 -39.31 97.88 Favored Glycine 0 CA--C 1.536 1.384 0 CA-C-N 114.191 -1.005 . . . . 0.0 111.84 173.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.628 ' O ' HG12 ' A' ' 27' ' ' VAL . 5.2 t-80 -72.4 -37.13 68.76 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 -176.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -42.4 99.71 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.864 1.666 . . . . 0.0 112.1 172.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -66.2 -34.25 77.59 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 175.139 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.628 HG12 ' O ' ' A' ' 24' ' ' HIS 0.251 0.5 OUTLIER -64.38 -15.09 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 172.632 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 40.8 m170 -59.67 -34.47 72.89 Favored 'General case' 0 C--N 1.343 0.296 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -171.24 120.18 0.5 Allowed 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.81 78.02 0.29 Allowed 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 125.775 1.63 . . . . 0.0 113.922 176.522 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -84.46 -51.91 6.56 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 113.692 -1.594 . . . . 0.0 112.04 178.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 87.7 mtm-85 -121.68 138.7 54.23 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.694 0.798 . . . . 0.0 110.646 177.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -130.4 -60.74 0.99 Allowed 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 113.774 -1.557 . . . . 0.0 112.362 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.99 -70.37 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.453 1.501 . . . . 0.0 109.548 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.4 mt 60.5 173.6 0.1 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 125.105 1.362 . . . . 0.0 110.968 -176.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.2 mtm-85 -40.0 -44.14 1.68 Allowed 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 177.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -129.72 177.04 7.53 Favored 'General case' 0 C--O 1.255 1.371 0 CA-C-O 116.185 -1.864 . . . . 0.0 112.376 175.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.07 0 CA-C-N 108.86 -3.791 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.025 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -138.95 88.41 13.5 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.404 ' HG2' ' O ' ' A' ' 5' ' ' SER . 73.1 Cg_endo -70.25 150.23 64.93 Favored 'Trans proline' 0 CA--C 1.543 0.973 0 C-N-CA 123.773 2.982 . . . . 0.0 112.518 177.759 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -69.88 -86.43 0.0 OUTLIER 'Trans proline' 0 CA--C 1.544 0.985 0 C-N-CA 123.341 2.694 . . . . 0.0 113.556 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.1 mmt180 -98.65 56.45 1.11 Allowed 'General case' 0 N--CA 1.478 0.969 0 CA-C-O 122.28 1.038 . . . . 0.0 111.956 -178.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.404 ' O ' ' HG2' ' A' ' 2' ' ' PRO . 65.3 p -179.04 156.68 0.81 Allowed 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 114.157 -1.383 . . . . 0.0 111.853 -175.353 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.426 ' O ' ' HA ' ' A' ' 14' ' ' GLU . 99.6 m-85 -135.65 155.15 50.89 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 113.904 -1.498 . . . . 0.0 112.024 175.223 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.642 HG22 ' H ' ' A' ' 9' ' ' SER . 16.4 m -102.92 157.71 16.78 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.414 1.486 . . . . 0.0 109.687 -177.175 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.14 -10.8 18.53 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -176.59 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.642 ' H ' HG22 ' A' ' 7' ' ' THR . 18.2 p 74.09 -53.0 0.69 Allowed 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 129.438 3.095 . . . . 0.0 112.373 -171.525 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.34 -43.97 89.22 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 178.495 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.8 p -98.99 5.96 46.92 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 119.128 -1.029 . . . . 0.0 108.257 173.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 32.12 25.47 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 118.038 2.607 . . . . 0.0 118.038 -170.392 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.541 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -97.16 145.3 26.15 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 114.099 -1.409 . . . . 0.0 110.052 -177.051 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.426 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 4.4 mt-10 -100.18 125.79 46.37 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 113.066 -1.879 . . . . 0.0 110.851 -178.039 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.697 ' HB2' HD11 ' A' ' 21' ' ' LEU . 26.1 m-85 -124.02 160.51 27.49 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 112.689 -2.05 . . . . 0.0 111.146 -176.05 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.29 61.21 0.6 Allowed 'General case' 0 N--CA 1.489 1.486 0 CA-C-O 122.685 1.231 . . . . 0.0 113.69 -178.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.505 ' O ' HD13 ' A' ' 21' ' ' LEU . 58.5 m -159.36 164.14 34.98 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -178.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -118.35 7.18 11.92 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 115.621 1.711 . . . . 0.0 115.621 174.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -130.69 -51.79 1.06 Allowed 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.119 0.968 . . . . 0.0 112.63 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -47.09 -42.26 18.64 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 117.675 -1.155 . . . . 0.0 112.713 171.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.697 HD11 ' HB2' ' A' ' 15' ' ' PHE . 5.9 mp -65.4 -50.01 67.09 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 176.146 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.54 -49.39 65.21 Favored Glycine 0 N--CA 1.481 1.673 0 O-C-N 124.076 0.86 . . . . 0.0 111.274 178.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.23 -39.59 97.9 Favored Glycine 0 CA--C 1.538 1.522 0 CA-C-N 113.717 -1.242 . . . . 0.0 112.624 172.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.622 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.3 t60 -72.54 -35.19 67.99 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -173.553 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 14.3 ttp -66.09 -39.66 90.18 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.099 1.36 . . . . 0.0 112.372 173.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -62.96 -39.43 94.66 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.991 174.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.4 OUTLIER -63.66 -14.54 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 176.13 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 44.7 m170 -60.26 -83.3 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 176.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? 172.01 91.58 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 126.781 2.033 . . . . 0.0 111.305 178.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -77.56 81.41 4.02 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-O 122.666 1.222 . . . . 0.0 112.182 170.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -100.03 92.96 5.5 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 113.898 -1.501 . . . . 0.0 110.27 176.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.58 142.1 28.3 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 113.768 -1.56 . . . . 0.0 111.195 176.068 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -110.76 178.33 4.39 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 112.932 -1.94 . . . . 0.0 109.202 178.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.81 -142.06 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.074 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.647 170.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 67.95 120.82 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 126.21 1.804 . . . . 0.0 111.761 -170.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 38' ' ' NH2 . 13.9 ttt-85 -114.67 -55.48 2.48 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 113.89 -1.505 . . . . 0.0 112.599 178.627 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 mt -63.53 88.91 0.04 OUTLIER 'General case' 0 C--O 1.27 2.171 0 CA-C-O 116.773 -1.584 . . . . 0.0 113.975 174.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . 0.414 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . . . . . . 0 C--N 1.303 -1.434 1 CA-C-N 92.352 -11.295 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.046 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 7.8 m95 68.8 141.41 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.407 ' HD2' ' CZ ' ' A' ' 6' ' ' TYR . 64.3 Cg_endo -66.8 159.23 52.41 Favored 'Trans proline' 0 CA--C 1.544 0.984 0 C-N-CA 124.317 3.345 . . . . 0.0 113.111 175.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -60.4 -31.05 92.17 Favored 'Trans proline' 0 N--CA 1.482 0.839 0 C-N-CA 123.541 2.827 . . . . 0.0 114.7 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -169.87 169.74 8.13 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.544 1.937 . . . . 0.0 107.629 -179.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.458 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 21.4 t 60.98 148.27 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.179 0 O-C-N 124.675 1.234 . . . . 0.0 112.697 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.407 ' CZ ' ' HD2' ' A' ' 2' ' ' PRO . 1.5 m-85 -154.35 167.8 28.76 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 113.41 -1.723 . . . . 0.0 112.943 -179.382 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.568 HG22 ' HA ' ' A' ' 12' ' ' LYS . 0.8 OUTLIER -110.91 155.55 22.48 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 112.921 -1.945 . . . . 0.0 108.163 -169.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.64 -13.4 20.35 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -177.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.263 17.7 p 74.39 -56.28 0.64 Allowed 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 128.576 2.75 . . . . 0.0 112.238 -171.605 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -59.67 -38.51 81.68 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 175.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.6 p -114.25 10.54 17.24 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 118.991 -1.084 . . . . 0.0 108.27 176.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.568 ' HA ' HG22 ' A' ' 7' ' ' THR . 0.2 OUTLIER 27.7 29.75 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 118.609 2.818 . . . . 0.0 118.609 -170.414 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.5 ttm-85 -93.17 133.85 35.94 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 -176.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -80.21 122.52 26.95 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 112.824 -1.989 . . . . 0.0 111.376 176.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.471 ' HB2' HD11 ' A' ' 21' ' ' LEU . 20.8 m-85 -114.1 160.38 18.99 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 112.723 -2.035 . . . . 0.0 111.913 175.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -97.61 26.32 5.1 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-N 113.051 -1.886 . . . . 0.0 114.894 -174.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.1 p -176.96 136.99 0.22 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -175.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.85 -49.06 72.03 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 113.514 -1.675 . . . . 0.0 114.153 -176.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -68.61 -38.84 80.89 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.54 -37.44 70.5 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 117.752 -1.118 . . . . 0.0 111.116 171.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.471 HD11 ' HB2' ' A' ' 15' ' ' PHE . 6.7 mt -70.69 -47.36 60.27 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 171.099 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.85 -47.14 48.22 Favored Glycine 0 N--CA 1.483 1.799 0 O-C-N 123.929 0.768 . . . . 0.0 112.201 175.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.06 -43.22 73.61 Favored Glycine 0 CA--C 1.538 1.478 0 CA-C-N 114.226 -0.987 . . . . 0.0 113.733 173.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.61 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.9 t-80 -71.74 -35.24 70.07 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -172.059 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.407 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -63.34 -45.3 91.88 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 126.48 1.912 . . . . 0.0 111.029 172.608 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -65.56 -26.99 68.11 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 174.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.61 HG12 ' O ' ' A' ' 24' ' ' HIS 0.259 0.4 OUTLIER -72.5 -12.13 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 172.413 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 35.7 m170 -59.25 93.87 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.685 0.794 . . . . 0.0 109.663 179.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 37.76 62.86 0.85 Allowed 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 123.415 1.579 . . . . 0.0 113.23 -178.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.6 mmt85 -124.79 164.64 19.55 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 113.83 -1.532 . . . . 0.0 113.617 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -164.28 -45.26 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 112.998 -1.91 . . . . 0.0 111.19 -179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 46.24 73.5 0.17 Allowed 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 125.754 1.622 . . . . 0.0 112.952 177.696 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 46.52 91.28 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 113.376 -1.738 . . . . 0.0 112.543 -170.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -35.05 -51.06 0.52 Allowed 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 115.043 1.497 . . . . 0.0 115.043 -174.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.634 ' HG ' ' HG2' ' A' ' 36' ' ' ARG . 15.5 tp 65.84 -75.99 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.794 1.638 . . . . 0.0 111.631 178.476 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.634 ' HG2' ' HG ' ' A' ' 35' ' ' LEU . 12.0 ptt180 -176.11 110.88 0.1 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 127.276 2.231 . . . . 0.0 109.493 -176.28 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.811 HD23 ' N ' ' A' ' 38' ' ' NH2 . 0.2 OUTLIER -165.32 164.59 19.81 Favored 'General case' 0 C--O 1.27 2.154 0 CA-C-N 114.824 -1.08 . . . . 0.0 113.909 178.097 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . 0.811 ' N ' HD23 ' A' ' 37' ' ' LEU . . . . . . . . 0 C--N 1.303 -1.421 1 CA-C-N 56.447 -27.615 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.048 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 172.17 140.23 0.11 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 108.005 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -63.13 150.29 89.03 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 122.963 2.442 . . . . 0.0 111.895 175.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -71.75 -166.74 0.26 Allowed 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 122.63 2.22 . . . . 0.0 110.924 170.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? 61.21 92.89 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 125.482 1.513 . . . . 0.0 111.946 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 p 57.25 151.85 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 112.712 -2.04 . . . . 0.0 113.416 -172.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.493 ' HB2' ' CD1' ' A' ' 21' ' ' LEU . 92.4 m-85 -139.72 159.93 41.05 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 114.064 -1.425 . . . . 0.0 112.467 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.637 HG22 ' H ' ' A' ' 9' ' ' SER . 8.4 m -100.17 154.94 18.04 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 113.295 -1.775 . . . . 0.0 109.433 -175.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.68 -12.4 19.19 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -177.208 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.637 ' H ' HG22 ' A' ' 7' ' ' THR . 22.2 p 73.56 -53.06 0.7 Allowed 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 129.492 3.117 . . . . 0.0 112.449 -171.222 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.47 -37.38 87.09 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 177.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.8 p -108.81 9.49 26.81 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 173.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 29.71 27.48 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 118.115 2.635 . . . . 0.0 118.115 -171.052 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.417 ' O ' ' HA ' ' A' ' 7' ' ' THR . 1.5 mtp-105 -102.93 148.83 25.17 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.141 1.376 . . . . 0.0 110.796 -174.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -95.33 121.31 36.86 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 112.578 -2.101 . . . . 0.0 113.158 -177.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -111.0 162.1 15.19 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 112.052 -2.34 . . . . 0.0 112.075 178.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -111.27 40.85 1.98 Allowed 'General case' 0 N--CA 1.484 1.243 0 CA-C-N 113.468 -1.696 . . . . 0.0 114.772 -176.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.558 ' OG ' ' HB3' ' A' ' 20' ' ' ALA . 15.0 p -176.76 137.37 0.25 Allowed 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 -178.518 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.24 -54.27 31.89 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 114.137 -1.392 . . . . 0.0 113.751 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -68.1 -43.64 77.99 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -178.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.558 ' HB3' ' OG ' ' A' ' 17' ' ' SER . . . -69.81 -2.12 11.24 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 173.429 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.493 ' CD1' ' HB2' ' A' ' 6' ' ' TYR . 6.1 mt -93.22 -50.39 5.51 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 158.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.29 -49.59 55.84 Favored Glycine 0 N--CA 1.484 1.889 0 O-C-N 123.843 0.714 . . . . 0.0 112.072 176.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.23 -39.76 96.27 Favored Glycine 0 CA--C 1.537 1.455 0 CA-C-N 113.877 -1.162 . . . . 0.0 112.784 173.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.626 ' O ' HG12 ' A' ' 27' ' ' VAL . 3.0 t60 -70.25 -35.65 73.93 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -175.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 21.1 ttm -63.94 -41.09 97.71 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.365 1.466 . . . . 0.0 112.066 173.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -60.82 -40.0 91.13 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 173.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.626 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -64.7 -10.53 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 176.506 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 44.1 m170 -63.34 -22.57 66.96 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 177.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 34.6 ttt85 66.52 71.75 0.39 Allowed 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 124.029 1.871 . . . . 0.0 110.641 178.106 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.96 171.42 8.11 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 111.961 -2.381 . . . . 0.0 111.543 176.253 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 40.5 t0 65.23 79.65 0.25 Allowed 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 125.743 1.617 . . . . 0.0 110.993 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -133.09 117.29 17.36 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 113.493 -1.685 . . . . 0.0 110.469 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 62.18 -59.74 0.12 Allowed 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 127.528 2.331 . . . . 0.0 114.55 -177.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -163.96 -47.59 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.472 1.909 . . . . 0.0 112.782 176.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.6 mt 50.85 -171.76 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.301 1.04 . . . . 0.0 113.007 -175.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.31 -46.33 16.34 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 115.56 -0.745 . . . . 0.0 112.727 175.081 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.4 mt 52.38 121.83 0.0 OUTLIER 'General case' 0 C--O 1.27 2.172 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 -175.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.43 1 CA-C-N 100.022 -7.808 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.003 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -174.5 132.26 0.5 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.615 1.197 . . . . 0.0 108.013 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -68.59 162.5 40.69 Favored 'Trans proline' 0 CA--C 1.545 1.05 0 C-N-CA 124.255 3.303 . . . . 0.0 113.626 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -63.69 -21.35 69.94 Favored 'Trans proline' 0 N--CA 1.484 0.934 0 C-N-CA 123.877 3.051 . . . . 0.0 114.77 172.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.16 169.75 0.16 Allowed 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.712 1.605 . . . . 0.0 112.85 170.373 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.401 ' CB ' ' HB3' ' A' ' 14' ' ' GLU . 66.7 m -44.42 146.42 0.7 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.713 1.205 . . . . 0.0 114.03 175.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -114.49 142.71 46.04 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 113.871 -1.513 . . . . 0.0 111.616 -173.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.632 HG22 ' H ' ' A' ' 9' ' ' SER . 8.1 m -86.58 155.62 20.38 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 125.907 1.683 . . . . 0.0 109.715 -176.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.93 -8.93 19.29 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -177.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.632 ' H ' HG22 ' A' ' 7' ' ' THR . 18.9 p 73.92 -54.18 0.68 Allowed 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 129.219 3.008 . . . . 0.0 112.246 -171.066 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.74 -46.97 76.86 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 178.619 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.9 p -96.98 7.81 45.84 Favored 'General case' 0 C--N 1.343 0.324 0 C-N-CA 118.9 -1.12 . . . . 0.0 108.305 174.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.0 pttt 34.33 20.31 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 117.034 2.235 . . . . 0.0 117.034 -170.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.432 ' O ' ' HA ' ' A' ' 7' ' ' THR . 3.1 ttm-85 -95.26 136.34 35.73 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.68 0.752 . . . . 0.0 109.689 -172.022 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.401 ' HB3' ' CB ' ' A' ' 5' ' ' SER . 2.2 mp0 -84.05 120.88 26.67 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 112.855 -1.975 . . . . 0.0 110.385 178.252 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.655 ' HB2' HD11 ' A' ' 21' ' ' LEU . 81.6 m-85 -116.76 144.2 44.75 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 114.434 -1.257 . . . . 0.0 112.256 178.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.5 ttp85 -85.67 38.11 0.73 Allowed 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 113.883 -1.508 . . . . 0.0 113.578 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.5 m -149.1 177.19 9.82 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.101 -178.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -122.38 -63.79 1.25 Allowed 'General case' 0 N--CA 1.481 1.08 0 O-C-N 124.023 0.827 . . . . 0.0 112.658 175.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -60.16 -36.54 77.79 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 178.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.41 -34.57 64.51 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 118.373 -0.822 . . . . 0.0 112.345 170.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.655 HD11 ' HB2' ' A' ' 15' ' ' PHE . 8.3 mp -80.31 -44.86 18.83 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.722 1.209 . . . . 0.0 113.252 -178.605 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.63 -51.9 36.24 Favored Glycine 0 N--CA 1.484 1.848 0 O-C-N 124.496 1.122 . . . . 0.0 110.892 173.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.49 -39.46 97.71 Favored Glycine 0 CA--C 1.54 1.632 0 CA-C-N 113.557 -1.322 . . . . 0.0 113.311 173.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.633 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.1 t60 -73.49 -37.5 65.69 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -173.104 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 8.9 ttp -65.58 -38.54 89.82 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.72 1.208 . . . . 0.0 111.506 173.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -61.74 -32.62 72.87 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 171.271 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.633 HG12 ' O ' ' A' ' 24' ' ' HIS 0.264 0.3 OUTLIER -67.6 -15.68 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 174.901 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 47.8 m170 -62.93 96.67 0.09 Allowed 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.479 0.712 . . . . 0.0 109.618 -178.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 52.54 45.55 28.38 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-O 123.479 1.609 . . . . 0.0 112.796 174.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -134.46 161.53 34.77 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 114.483 -1.235 . . . . 0.0 111.358 -177.63 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.6 t70 69.7 92.96 0.08 Allowed 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 126.636 1.974 . . . . 0.0 112.271 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.2 mtp180 -119.71 88.84 3.01 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 114.329 -1.305 . . . . 0.0 110.739 177.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -137.32 148.28 46.21 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 112.815 -1.993 . . . . 0.0 109.99 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.32 90.76 2.65 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 123.903 0.752 . . . . 0.0 110.379 178.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 mt 54.84 103.83 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -178.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -60.98 -55.46 32.62 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 179.183 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.81 49.95 1.57 Allowed 'General case' 0 C--O 1.27 2.138 0 CA-C-O 116.661 -1.638 . . . . 0.0 112.766 177.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.445 1 CA-C-N 47.701 -31.591 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.052 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 52.6 m0 65.89 91.72 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.17 . . . . 0.0 108.056 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.581 ' HG2' ' HB3' ' A' ' 5' ' ' SER . 90.4 Cg_endo -71.13 157.92 56.28 Favored 'Trans proline' 0 CA--C 1.545 1.063 0 C-N-CA 124.353 3.368 . . . . 0.0 113.503 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -64.04 151.57 84.73 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 122.893 2.395 . . . . 0.0 112.081 175.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 51.2 mtt85 53.18 24.94 3.94 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 116.174 1.916 . . . . 0.0 116.174 -175.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.581 ' HB3' ' HG2' ' A' ' 2' ' ' PRO . 32.2 t -158.62 140.91 14.09 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 113.853 -1.521 . . . . 0.0 109.14 -173.642 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.46 ' O ' ' HA ' ' A' ' 14' ' ' GLU . 57.8 m-85 -147.37 168.49 21.69 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 113.843 -1.526 . . . . 0.0 112.392 176.367 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.485 HG22 ' HA ' ' A' ' 12' ' ' LYS . 2.2 m -101.49 152.35 20.87 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 112.794 -2.003 . . . . 0.0 108.284 -174.14 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.36 -11.46 27.72 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 -177.207 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.9 p 73.71 -53.14 0.69 Allowed 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 129.478 3.111 . . . . 0.0 112.294 -171.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.58 -42.29 95.71 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 177.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 32.1 p -108.81 10.86 26.54 Favored 'General case' 0 C--N 1.342 0.276 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 173.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.485 ' HA ' HG22 ' A' ' 7' ' ' THR . 23.7 pttt 32.55 26.89 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 117.598 2.444 . . . . 0.0 117.598 -172.577 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -101.08 137.25 39.7 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.591 0.756 . . . . 0.0 109.999 -172.282 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.46 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 1.8 mt-10 -82.8 122.69 28.53 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 112.932 -1.94 . . . . 0.0 114.0 -178.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.57 ' O ' ' HA ' ' A' ' 5' ' ' SER . 11.5 m-85 -110.89 155.41 22.66 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 111.44 -2.618 . . . . 0.0 111.268 178.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.65 38.35 2.18 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-N 114.328 -1.305 . . . . 0.0 113.044 -178.354 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.507 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 30.5 p -169.65 139.18 1.98 Allowed 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 115.295 -0.866 . . . . 0.0 113.187 -174.074 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.47 -58.15 4.34 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 114.427 -1.261 . . . . 0.0 113.396 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.93 -48.21 77.46 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.501 ' HB3' ' OG ' ' A' ' 17' ' ' SER . . . -71.38 2.52 4.77 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 174.575 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.507 ' HB2' ' O ' ' A' ' 17' ' ' SER . 3.1 tt -101.07 -51.11 3.61 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.303 0.641 . . . . 0.0 110.87 165.507 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.46 -48.49 75.74 Favored Glycine 0 N--CA 1.484 1.887 0 O-C-N 123.473 0.483 . . . . 0.0 112.373 175.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.82 -38.31 95.95 Favored Glycine 0 CA--C 1.537 1.451 0 CA-C-N 114.366 -0.917 . . . . 0.0 112.48 173.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.61 ' O ' HG12 ' A' ' 27' ' ' VAL . 3.7 t-80 -69.67 -36.37 75.97 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -178.489 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.7 ttp -64.55 -39.32 93.53 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.801 1.24 . . . . 0.0 112.355 172.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -64.54 -35.73 81.93 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 174.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.61 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.5 OUTLIER -68.08 -9.03 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 174.12 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 42.8 m170 -63.0 168.22 4.19 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 176.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -178.16 121.23 0.1 Allowed 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.909 1.284 . . . . 0.0 109.458 -178.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 60.01 166.45 0.07 Allowed 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 122.289 1.043 . . . . 0.0 113.255 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -103.86 130.45 51.44 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.455 178.031 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.6 ptt85 -160.97 156.3 24.61 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 113.37 -1.741 . . . . 0.0 110.27 176.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.05 -178.33 0.1 Allowed 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.671 170.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.4 ttt180 -66.25 -133.4 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.081 0 O-C-N 122.195 -0.316 . . . . 0.0 111.749 175.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 61.74 54.2 2.99 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-O 123.084 1.421 . . . . 0.0 113.006 -173.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? -73.31 153.53 40.51 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 113.956 -1.474 . . . . 0.0 109.815 175.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.2 tt 68.64 44.6 1.17 Allowed 'General case' 0 C--O 1.27 2.158 0 C-N-CA 124.887 1.275 . . . . 0.0 113.789 -177.073 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.458 1 CA-C-N 24.355 -42.202 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.541 ' O ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.229 -0.001 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.424 ' C ' ' O ' ' A' ' 0' ' ' ACE . 86.9 m95 -40.2 98.12 0.16 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 107.987 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.541 ' HD3' ' O ' ' A' ' 0' ' ' ACE . 95.0 Cg_endo -69.09 150.02 71.82 Favored 'Trans proline' 0 CA--C 1.543 0.96 0 C-N-CA 123.839 3.026 . . . . 0.0 112.579 177.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -70.3 -42.62 2.72 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 123.152 2.568 . . . . 0.0 114.1 175.071 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -84.39 121.18 27.18 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.044 0.538 . . . . 0.0 110.629 175.35 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.8 m 56.63 164.64 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.128 0 O-C-N 125.219 1.574 . . . . 0.0 112.573 -177.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -130.33 145.63 51.81 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 115.12 -0.945 . . . . 0.0 113.268 173.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.552 HG22 ' H ' ' A' ' 9' ' ' SER . 32.2 m -86.8 151.22 23.55 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 113.247 -1.797 . . . . 0.0 110.307 176.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.8 -13.96 18.21 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 114.894 -1.048 . . . . 0.0 108.374 -175.445 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.552 ' H ' HG22 ' A' ' 7' ' ' THR . 21.3 p 76.25 -52.49 0.61 Allowed 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 129.935 3.294 . . . . 0.0 111.967 -172.313 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.82 -37.21 85.62 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 178.507 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.7 p -108.02 5.68 26.35 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 171.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.482 ' HA ' HG23 ' A' ' 7' ' ' THR . 12.5 ptmt 34.63 22.87 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 117.74 2.496 . . . . 0.0 117.74 -170.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.69 135.42 41.13 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 114.437 -1.256 . . . . 0.0 110.296 -172.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -83.41 118.68 23.89 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 111.429 -2.623 . . . . 0.0 110.535 -178.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.575 ' HB2' HD11 ' A' ' 21' ' ' LEU . 72.7 m-85 -115.3 140.83 48.77 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 113.909 -1.496 . . . . 0.0 112.044 178.657 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.5 ttp180 -86.88 46.72 1.4 Allowed 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 113.692 -1.595 . . . . 0.0 112.526 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.8 m -155.56 -178.89 7.6 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.948 -179.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -126.87 -61.81 1.15 Allowed 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.641 175.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -60.04 -41.14 91.64 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.3 -29.83 58.99 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 114.978 -1.01 . . . . 0.0 113.201 171.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.575 HD11 ' HB2' ' A' ' 15' ' ' PHE . 8.3 mp -85.46 -44.98 12.26 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.664 1.186 . . . . 0.0 113.388 -177.626 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.1 -49.82 48.08 Favored Glycine 0 N--CA 1.482 1.741 0 O-C-N 124.48 1.113 . . . . 0.0 110.77 172.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.32 -40.89 99.48 Favored Glycine 0 CA--C 1.539 1.588 0 CA-C-N 113.574 -1.313 . . . . 0.0 113.322 172.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.631 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.2 t60 -72.82 -36.78 67.59 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -172.678 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -64.52 -37.67 88.36 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.412 1.485 . . . . 0.0 111.97 173.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -65.78 -35.07 79.66 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 174.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.631 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.4 OUTLIER -67.11 -12.74 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 N-CA-C 114.552 1.316 . . . . 0.0 114.552 174.02 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 45.3 m170 -62.57 160.12 14.51 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 177.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -171.98 54.34 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 CA-C-O 122.958 1.361 . . . . 0.0 114.144 178.251 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.436 ' HG2' ' HG3' ' A' ' 32' ' ' ARG . 19.4 ttt180 -134.79 108.29 7.88 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.279 -0.873 . . . . 0.0 113.121 -175.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -78.79 -53.14 7.41 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 114.386 -1.279 . . . . 0.0 112.543 176.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.436 ' HG3' ' HG2' ' A' ' 30' ' ' ARG . 79.2 mtm180 57.06 157.99 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 125.344 1.458 . . . . 0.0 114.238 -175.703 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -106.2 64.78 0.68 Allowed 'General case' 0 N--CA 1.477 0.898 0 CA-C-O 122.706 1.241 . . . . 0.0 110.361 177.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.14 -32.83 17.3 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 113.174 -1.83 . . . . 0.0 115.436 178.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.1 mt 59.82 92.73 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 125.576 1.55 . . . . 0.0 111.886 177.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 48.87 39.73 14.94 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 117.167 2.284 . . . . 0.0 117.167 178.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mt -147.35 94.52 2.4 Favored 'General case' 0 C--O 1.27 2.155 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -176.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.413 0 CA-C-N 116.587 -0.278 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.017 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -149.25 93.09 4.17 Favored Pre-proline 0 C--N 1.327 -0.409 0 O-C-N 124.59 1.181 . . . . 0.0 107.946 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -71.81 158.59 52.7 Favored 'Trans proline' 0 CA--C 1.543 0.968 0 C-N-CA 124.478 3.452 . . . . 0.0 112.591 177.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -67.67 -48.0 1.74 Allowed 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 123.007 2.471 . . . . 0.0 114.433 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.6 ptt180 -72.03 114.01 9.68 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.216 1.406 . . . . 0.0 111.741 176.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.2 m 55.82 158.51 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 114.956 -1.02 . . . . 0.0 112.945 -173.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -135.59 147.3 48.64 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 114.834 -1.075 . . . . 0.0 113.789 174.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.65 HG22 ' H ' ' A' ' 9' ' ' SER . 96.9 m -81.14 151.08 28.43 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 113.938 -1.483 . . . . 0.0 111.323 175.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.67 -15.78 18.42 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -177.35 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.65 ' H ' HG22 ' A' ' 7' ' ' THR 0.265 16.0 p 76.25 -56.55 0.57 Allowed 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 128.665 2.786 . . . . 0.0 112.146 -172.065 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -57.86 -37.79 74.54 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.714 1.375 . . . . 0.0 114.714 175.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 26.0 p -113.84 12.66 18.26 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 118.46 -1.296 . . . . 0.0 108.265 177.094 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.432 ' HA ' HG23 ' A' ' 7' ' ' THR . 0.0 OUTLIER 32.43 23.13 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 117.876 2.547 . . . . 0.0 117.876 -171.563 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.515 ' O ' ' HA ' ' A' ' 7' ' ' THR . 2.9 mtp-105 -99.03 146.57 25.91 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.731 1.213 . . . . 0.0 112.032 -173.187 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -89.12 115.64 26.79 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 112.297 -2.229 . . . . 0.0 111.546 -178.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.831 ' HB2' HD12 ' A' ' 21' ' ' LEU . 24.7 m-85 -106.45 138.2 43.07 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 114.019 -1.446 . . . . 0.0 111.651 173.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.4 ptt-85 -93.47 28.42 2.27 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 113.296 -1.775 . . . . 0.0 113.056 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.6 p -147.36 138.93 24.0 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -171.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.04 -73.02 0.19 Allowed 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 114.835 -1.075 . . . . 0.0 112.989 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -59.85 -48.83 80.09 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.012 0.925 . . . . 0.0 112.497 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.42 -4.79 8.95 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 115.875 1.806 . . . . 0.0 115.875 177.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.831 HD12 ' HB2' ' A' ' 15' ' ' PHE . 6.4 tt -99.68 -52.86 3.34 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 118.517 -0.754 . . . . 0.0 111.308 163.729 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.78 -48.44 56.83 Favored Glycine 0 N--CA 1.483 1.831 0 CA-C-O 121.518 0.51 . . . . 0.0 112.099 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.71 -36.93 93.73 Favored Glycine 0 CA--C 1.537 1.437 0 CA-C-N 113.492 -1.354 . . . . 0.0 112.61 171.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.644 ' O ' HG12 ' A' ' 27' ' ' VAL . 1.7 t60 -69.58 -35.94 75.81 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 117.893 0.846 . . . . 0.0 109.592 -177.328 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.3 ttt -62.73 -42.11 99.5 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.35 1.46 . . . . 0.0 111.971 173.317 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -66.75 -29.27 69.2 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 174.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.644 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -66.99 -15.02 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 172.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 42.5 m170 -63.14 101.93 0.33 Allowed 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 178.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -178.41 72.95 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 124.97 1.308 . . . . 0.0 113.948 171.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.34 137.77 0.1 Allowed 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 126.085 1.754 . . . . 0.0 110.938 175.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 52.06 18.81 0.89 Allowed 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 115.56 1.689 . . . . 0.0 115.56 -172.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -130.69 113.15 13.8 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.845 1.258 . . . . 0.0 108.737 -176.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -164.22 165.77 21.69 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 113.721 -1.582 . . . . 0.0 109.725 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.26 -48.08 0.67 Allowed 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 127.136 2.174 . . . . 0.0 113.284 178.744 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.0 mt 71.17 94.68 0.07 Allowed 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 127.288 2.235 . . . . 0.0 112.119 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.76 85.21 6.14 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 114.678 -1.146 . . . . 0.0 110.368 179.248 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 46.21 55.89 6.8 Favored 'General case' 0 C--O 1.27 2.149 0 N-CA-C 116.229 1.937 . . . . 0.0 116.229 176.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.446 0 CA-C-N 113.392 -1.731 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.036 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 31.3 t-105 -173.72 72.37 0.36 Allowed Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -72.62 165.9 31.4 Favored 'Trans proline' 0 CA--C 1.545 1.075 0 C-N-CA 123.873 3.049 . . . . 0.0 112.224 -178.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -70.15 -24.32 28.0 Favored 'Trans proline' 0 CA--C 1.543 0.947 0 C-N-CA 123.162 2.575 . . . . 0.0 115.205 171.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 44.6 mmt-85 -51.05 178.92 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 125.516 1.526 . . . . 0.0 113.941 172.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.1 p -57.06 150.37 17.26 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.355 174.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -119.75 146.83 45.29 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 114.052 -1.431 . . . . 0.0 111.84 -175.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.61 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 29.7 m -93.91 154.54 17.64 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 113.88 -1.509 . . . . 0.0 111.039 178.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.34 -16.81 16.79 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 -175.245 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.543 ' H ' HG22 ' A' ' 7' ' ' THR . 20.9 p 76.42 -52.6 0.6 Allowed 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 129.837 3.255 . . . . 0.0 112.138 -172.446 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.99 -40.44 94.96 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 115.019 1.489 . . . . 0.0 115.019 178.157 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.5 p -109.29 12.52 24.76 Favored 'General case' 0 C--N 1.343 0.292 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 172.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.5 pttm 34.61 14.97 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 118.566 2.802 . . . . 0.0 118.566 -170.051 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.61 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -80.83 150.25 29.22 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.706 1.202 . . . . 0.0 110.101 -172.577 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -106.63 118.08 35.72 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 112.991 -1.913 . . . . 0.0 109.919 -176.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.542 ' HB2' HD11 ' A' ' 21' ' ' LEU . 35.3 m-85 -121.94 155.56 35.25 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 113.033 -1.894 . . . . 0.0 111.977 -176.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -108.08 56.61 0.63 Allowed 'General case' 0 N--CA 1.487 1.382 0 CA-C-N 113.092 -1.867 . . . . 0.0 113.003 -175.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.535 ' O ' HD13 ' A' ' 21' ' ' LEU . 58.8 m -162.44 163.69 27.53 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.726 -176.605 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -121.36 18.6 11.42 Favored 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 115.208 1.559 . . . . 0.0 115.208 176.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.517 ' HG3' ' H ' ' A' ' 20' ' ' ALA . 21.7 pt20 -134.52 -57.25 0.84 Allowed 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.926 0.89 . . . . 0.0 112.628 -176.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.517 ' H ' ' HG3' ' A' ' 19' ' ' GLN . . . -48.91 -37.0 18.51 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 114.52 -1.218 . . . . 0.0 112.78 171.431 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.542 HD11 ' HB2' ' A' ' 15' ' ' PHE . 7.2 mp -68.89 -51.09 43.92 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 177.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.62 -49.45 65.3 Favored Glycine 0 N--CA 1.481 1.65 0 O-C-N 124.332 1.02 . . . . 0.0 111.198 177.016 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.07 -42.23 99.72 Favored Glycine 0 CA--C 1.539 1.542 0 CA-C-N 114.005 -1.097 . . . . 0.0 112.933 173.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.605 ' O ' HG12 ' A' ' 27' ' ' VAL . 3.2 t60 -72.4 -37.58 68.64 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -174.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.0 tmm? -65.13 -38.03 89.34 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.366 1.467 . . . . 0.0 111.884 174.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -66.63 -35.35 79.97 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 174.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.605 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.9 OUTLIER -65.68 -16.67 20.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 173.46 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 46.3 m170 -57.49 139.12 54.16 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 45.89 20.67 0.08 Allowed 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -177.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -124.55 139.79 53.55 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 122.869 1.318 . . . . 0.0 111.279 -171.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -175.16 160.2 2.68 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 112.185 -2.279 . . . . 0.0 109.458 -175.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 48.1 mtm180 66.82 114.55 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.227 0 O-C-N 125.69 1.869 . . . . 0.0 111.705 -178.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -110.87 143.56 41.29 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 113.595 -1.638 . . . . 0.0 110.407 -177.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -74.29 -56.94 4.3 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 114.544 -1.207 . . . . 0.0 113.303 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.3 pp 34.96 60.4 0.66 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 125.623 1.569 . . . . 0.0 115.194 -175.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -50.04 -47.04 53.51 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 114.512 -1.222 . . . . 0.0 113.95 -173.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.5 tp -171.37 1.02 0.01 OUTLIER 'General case' 0 C--O 1.27 2.175 0 CA-C-O 117.4 -1.286 . . . . 0.0 111.958 173.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.442 1 CA-C-N 89.107 -12.77 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.017 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.408 ' O ' ' CG ' ' A' ' 1' ' ' TRP . 14.4 p-90 -115.6 92.77 34.58 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 108.019 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -72.63 157.83 51.73 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 C-N-CA 124.359 3.373 . . . . 0.0 113.026 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -63.29 147.11 94.02 Favored 'Trans proline' 0 CA--C 1.537 0.652 0 C-N-CA 122.583 2.189 . . . . 0.0 112.249 174.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 51.6 mtt-85 49.59 37.54 12.76 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 115.702 1.741 . . . . 0.0 115.702 -177.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.84 145.63 3.66 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 114.845 -1.07 . . . . 0.0 112.325 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -130.31 138.82 50.65 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 113.669 -1.605 . . . . 0.0 114.033 175.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.484 HG22 ' H ' ' A' ' 9' ' ' SER . 3.0 m -85.59 154.71 21.54 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 112.611 -2.086 . . . . 0.0 108.78 -178.355 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.22 -11.49 18.72 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -178.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.484 ' H ' HG22 ' A' ' 7' ' ' THR 0.263 18.1 p 74.3 -57.0 0.63 Allowed 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 128.555 2.742 . . . . 0.0 112.096 -171.26 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -58.58 -36.81 74.56 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 175.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.7 p -113.45 10.24 18.22 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 119.03 -1.068 . . . . 0.0 108.259 177.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt 32.32 24.46 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 117.415 2.376 . . . . 0.0 117.415 -171.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.3 ttm-85 -101.15 131.4 47.12 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 122.015 0.912 . . . . 0.0 108.559 -172.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -81.66 118.3 22.7 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 111.243 -2.708 . . . . 0.0 110.956 -177.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -113.79 136.8 52.46 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 113.391 -1.731 . . . . 0.0 112.104 177.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.8 ptt180 -83.27 37.89 0.58 Allowed 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 113.469 -1.696 . . . . 0.0 111.887 173.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.4 m -139.68 159.32 42.45 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 114.047 -1.433 . . . . 0.0 112.243 -170.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.66 -75.12 0.59 Allowed 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 113.943 -1.481 . . . . 0.0 110.85 175.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? -61.7 -43.2 99.3 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -178.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.83 -41.29 86.53 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 172.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -74.74 -39.78 61.65 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.517 0.727 . . . . 0.0 112.765 178.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.19 -47.61 80.31 Favored Glycine 0 N--CA 1.482 1.747 0 O-C-N 123.794 0.684 . . . . 0.0 111.784 172.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.66 -37.09 92.92 Favored Glycine 0 N--CA 1.48 1.63 0 CA-C-N 114.768 -0.716 . . . . 0.0 112.925 172.23 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.63 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.2 t60 -72.12 -36.9 69.55 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -174.128 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.5 ttp -62.27 -41.75 98.75 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.334 1.054 . . . . 0.0 112.123 172.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.421 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 54.6 t30 -70.16 -22.93 62.92 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 175.642 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.63 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.4 OUTLIER -72.55 -14.91 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 170.115 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -60.52 95.22 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.39 0.676 . . . . 0.0 109.648 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.441 ' O ' ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 40.87 43.63 1.76 Allowed 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 125.625 1.57 . . . . 0.0 112.224 -178.097 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.421 ' HB3' ' O ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -151.67 158.62 43.67 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.126 -171.854 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 65.66 137.75 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 125.851 1.66 . . . . 0.0 110.162 -171.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 67.56 -60.02 0.4 Allowed 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 126.051 1.741 . . . . 0.0 111.48 -176.32 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 56.27 -163.51 0.16 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.73 2.412 . . . . 0.0 111.108 -175.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -141.45 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 122.734 0.414 . . . . 0.0 111.689 170.745 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 64.25 175.49 0.18 Allowed 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 125.003 1.321 . . . . 0.0 111.424 -178.505 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -165.43 107.03 0.77 Allowed 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.552 1.141 . . . . 0.0 110.481 177.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 tt 65.85 56.64 0.87 Allowed 'General case' 0 C--O 1.27 2.173 0 CA-C-N 114.016 -1.447 . . . . 0.0 114.854 -179.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.432 1 CA-C-N 72.287 -20.415 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 120.942 0.401 . . . . 0.0 110.115 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.44 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 2.1 m -112.28 155.15 24.55 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.937 1.295 . . . . 0.0 109.512 -173.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.44 -10.09 22.62 Favored 'General case' 0 C--N 1.344 0.35 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -178.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.0 p 73.77 -54.93 0.68 Allowed 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 129.489 3.116 . . . . 0.0 112.336 -171.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.86 -33.71 74.67 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 176.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.8 p -113.11 8.51 18.33 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 174.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.0 pttt 30.01 25.9 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 117.432 2.382 . . . . 0.0 117.432 -171.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.44 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -95.26 130.93 41.83 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.338 1.055 . . . . 0.0 108.864 -174.299 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -80.34 121.63 25.92 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 112.43 -2.168 . . . . 0.0 112.46 175.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.749 ' HB2' HD11 ' A' ' 21' ' ' LEU . 67.0 m-85 -119.85 157.17 29.24 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 113.024 -1.898 . . . . 0.0 110.712 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.3 mtm105 -103.45 40.33 1.43 Allowed 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 114.769 -1.105 . . . . 0.0 113.961 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.4 m -139.15 178.2 7.35 Favored 'General case' 0 N--CA 1.484 1.23 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.29 -174.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -124.16 -65.48 1.05 Allowed 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 120.802 0.334 . . . . 0.0 111.683 170.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -61.34 -37.31 82.82 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 115.161 -0.927 . . . . 0.0 113.145 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.54 -39.48 76.72 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 116.996 -1.478 . . . . 0.0 112.588 171.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.749 HD11 ' HB2' ' A' ' 15' ' ' PHE . 4.9 mp -68.78 -46.15 69.47 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 175.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.25 -51.81 39.8 Favored Glycine 0 N--CA 1.484 1.837 0 O-C-N 124.514 1.134 . . . . 0.0 111.213 175.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.98 -39.21 97.79 Favored Glycine 0 CA--C 1.539 1.547 0 CA-C-N 113.837 -1.182 . . . . 0.0 113.126 173.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.605 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.0 t60 -72.53 -34.81 67.83 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 -172.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.567 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 17.6 ttt -64.9 -41.13 95.85 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.874 1.27 . . . . 0.0 111.96 173.114 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -65.94 -31.4 72.3 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 174.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.605 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.5 OUTLIER -68.95 -14.17 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 N-CA-C 114.212 1.189 . . . . 0.0 114.212 173.742 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.567 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 9.9 m-70 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 . . . . . 0 N--CA 1.476 0.86 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.514 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 70.5 p -73.84 162.94 28.58 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 113.394 -1.73 . . . . 0.0 110.545 176.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.71 -2.92 27.3 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.6 p 68.83 -54.85 0.55 Allowed 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 128.736 2.815 . . . . 0.0 113.057 -168.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.27 -44.79 86.93 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 179.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.7 p -108.25 9.05 28.09 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 174.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 pttp 33.94 22.35 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 116.963 2.209 . . . . 0.0 116.963 -170.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.514 ' O ' ' HA ' ' A' ' 7' ' ' THR . 6.2 ttt-85 -81.11 133.36 35.46 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.862 0.865 . . . . 0.0 109.687 -174.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -78.85 111.01 14.57 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 112.684 -2.053 . . . . 0.0 111.835 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.565 ' HB2' HD12 ' A' ' 21' ' ' LEU . 89.7 m-85 -109.73 133.88 52.63 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 114.122 -1.399 . . . . 0.0 111.106 176.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.4 ttm-85 -84.99 44.46 1.08 Allowed 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 123.272 1.511 . . . . 0.0 110.362 173.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.413 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 4.6 m -148.89 160.69 43.02 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 114.348 -1.296 . . . . 0.0 112.782 -172.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -116.04 -68.49 0.92 Allowed 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 114.614 -1.175 . . . . 0.0 111.558 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.424 ' H ' ' CD ' ' A' ' 19' ' ' GLN . 3.7 pm0 -53.45 -49.26 67.77 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 113.391 0.885 . . . . 0.0 113.391 174.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.413 ' HB3' ' HB3' ' A' ' 17' ' ' SER . . . -62.88 -26.99 69.05 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 114.432 -1.258 . . . . 0.0 113.631 176.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.565 HD12 ' HB2' ' A' ' 15' ' ' PHE . 5.2 tt -82.14 -52.01 7.41 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.062 0.945 . . . . 0.0 111.05 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.34 -47.25 83.94 Favored Glycine 0 N--CA 1.481 1.679 0 O-C-N 123.683 0.614 . . . . 0.0 112.212 177.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.36 -37.57 94.29 Favored Glycine 0 CA--C 1.539 1.549 0 CA-C-N 114.715 -0.743 . . . . 0.0 112.879 172.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.603 ' O ' HG12 ' A' ' 27' ' ' VAL . 1.9 t60 -72.2 -35.18 68.87 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -174.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.484 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -61.01 -42.97 99.47 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.071 1.748 . . . . 0.0 112.076 171.447 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -65.58 -36.15 82.91 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.361 0.664 . . . . 0.0 112.695 176.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.603 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.5 OUTLIER -66.56 -12.21 14.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 175.685 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.484 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 14.3 m-70 . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 176.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.514 ' HB3' HD22 ' A' ' 21' ' ' LEU . 2.6 m-85 . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.505 HG22 ' H ' ' A' ' 9' ' ' SER . 3.0 m -108.69 156.01 20.07 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.313 1.445 . . . . 0.0 109.77 -177.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.34 -8.26 23.57 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -178.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.505 ' H ' HG22 ' A' ' 7' ' ' THR . 21.4 p 72.92 -52.05 0.71 Allowed 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 129.608 3.163 . . . . 0.0 112.546 -170.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.422 ' HB3' ' CD2' ' A' ' 28' ' ' HIS . 0.3 OUTLIER -68.41 -45.09 73.59 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.7 p -95.7 3.47 53.87 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 172.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt 34.38 23.84 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 117.999 2.592 . . . . 0.0 117.999 -172.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.5 mtp85 -97.04 129.97 44.41 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.478 1.111 . . . . 0.0 110.437 -177.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -70.43 123.61 22.17 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 110.552 -3.022 . . . . 0.0 111.796 173.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.691 ' HB2' HD11 ' A' ' 21' ' ' LEU . 69.9 m-85 -121.27 166.7 13.64 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 113.325 -1.761 . . . . 0.0 110.245 176.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -107.28 31.62 5.25 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 -177.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.0 m -140.27 178.37 7.34 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.999 -171.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.49 -66.41 1.01 Allowed 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.325 171.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -59.46 -39.99 85.45 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.06 -37.6 66.96 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 117.676 -1.154 . . . . 0.0 112.713 172.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.691 HD11 ' HB2' ' A' ' 15' ' ' PHE . 6.4 mp -74.41 -43.65 55.41 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 176.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.16 -51.16 42.85 Favored Glycine 0 N--CA 1.481 1.664 0 O-C-N 124.454 1.097 . . . . 0.0 110.835 173.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.73 -39.46 97.51 Favored Glycine 0 CA--C 1.539 1.57 0 CA-C-N 113.673 -1.263 . . . . 0.0 113.256 173.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.603 ' O ' HG12 ' A' ' 27' ' ' VAL . 1.8 t60 -73.05 -33.53 65.73 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -172.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.531 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 1.4 tmm? -63.95 -41.51 97.56 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.588 1.555 . . . . 0.0 112.137 172.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -65.01 -33.63 76.51 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 174.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.603 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.5 OUTLIER -69.41 -9.01 11.54 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.972 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 174.622 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.531 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 11.4 m-70 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 113.855 1.058 . . . . 0.0 113.855 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.8 p -75.77 160.86 29.56 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 114.386 -1.279 . . . . 0.0 111.194 178.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.8 -4.64 24.63 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.5 p 70.28 -55.02 0.62 Allowed 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 128.697 2.799 . . . . 0.0 112.829 -169.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.29 -38.14 90.0 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 179.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.9 p -117.11 12.06 14.38 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 173.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.8 pttt 32.99 25.43 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 116.019 1.859 . . . . 0.0 116.019 -169.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -92.17 126.85 37.42 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.961 0.886 . . . . 0.0 110.67 -169.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -71.33 111.64 6.82 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 111.547 -2.57 . . . . 0.0 112.773 -176.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -109.72 131.85 54.68 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 113.561 -1.654 . . . . 0.0 112.52 176.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -83.61 39.43 0.68 Allowed 'General case' 0 N--CA 1.484 1.238 0 CA-C-N 114.172 -1.376 . . . . 0.0 112.458 170.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.444 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 75.1 m -136.75 137.98 40.46 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 114.588 -1.187 . . . . 0.0 111.095 -170.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.61 -78.55 0.16 Allowed 'General case' 0 N--CA 1.48 1.049 0 O-C-N 124.444 1.09 . . . . 0.0 110.498 169.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.42 -46.02 91.87 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 114.781 1.401 . . . . 0.0 114.781 178.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.444 ' HB3' ' HB3' ' A' ' 17' ' ' SER . . . -68.0 -0.14 4.12 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 176.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.6 tt -100.35 -54.21 2.92 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.629 0.772 . . . . 0.0 109.778 166.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.84 -48.18 67.96 Favored Glycine 0 N--CA 1.484 1.873 0 O-C-N 123.661 0.601 . . . . 0.0 112.644 177.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.67 -37.63 95.02 Favored Glycine 0 CA--C 1.537 1.443 0 CA-C-N 114.203 -0.999 . . . . 0.0 112.474 172.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.598 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.2 t60 -70.11 -35.18 73.95 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -178.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.486 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -61.84 -44.32 97.07 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.183 1.793 . . . . 0.0 111.828 171.872 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -65.78 -32.11 73.47 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 175.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.598 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.8 OUTLIER -68.18 -11.29 14.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 174.064 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.486 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 14.3 m-70 . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 177.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 . . . . . 0 N--CA 1.475 0.798 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.656 HG22 ' H ' ' A' ' 9' ' ' SER . 7.0 m -96.22 154.74 17.09 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.575 1.55 . . . . 0.0 109.991 -175.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.95 -13.81 16.76 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -178.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.656 ' H ' HG22 ' A' ' 7' ' ' THR . 20.9 p 74.03 -52.97 0.69 Allowed 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 129.419 3.087 . . . . 0.0 112.594 -171.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.24 -36.06 80.86 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 177.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.3 p -117.9 14.04 14.13 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 172.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 29.38 23.86 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 118.493 2.775 . . . . 0.0 118.493 -169.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.468 ' O ' ' HA ' ' A' ' 7' ' ' THR . 7.6 mtp-105 -85.13 140.76 30.7 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.846 1.258 . . . . 0.0 111.626 -178.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -88.61 115.84 26.43 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 111.346 -2.661 . . . . 0.0 110.957 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.851 ' HB2' HD12 ' A' ' 21' ' ' LEU . 47.6 m-85 -110.3 132.87 53.79 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 112.988 -1.915 . . . . 0.0 109.975 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.18 48.88 1.64 Allowed 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 113.271 -1.786 . . . . 0.0 109.191 174.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.418 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 30.4 m -156.2 158.74 38.12 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 114.335 -1.302 . . . . 0.0 112.46 -169.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.91 -69.41 0.86 Allowed 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 114.103 -1.408 . . . . 0.0 111.498 177.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -58.51 -52.75 64.33 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.915 0.886 . . . . 0.0 111.758 177.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.418 ' HB3' ' HB3' ' A' ' 17' ' ' SER . . . -54.16 -30.88 50.9 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 174.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.851 HD12 ' HB2' ' A' ' 15' ' ' PHE . 5.9 tt -81.14 -51.03 8.89 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.991 0.917 . . . . 0.0 112.046 177.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.53 -46.28 58.72 Favored Glycine 0 N--CA 1.483 1.796 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 176.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.05 -37.64 95.27 Favored Glycine 0 CA--C 1.539 1.57 0 CA-C-N 113.927 -1.137 . . . . 0.0 112.834 170.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.646 ' O ' HG12 ' A' ' 27' ' ' VAL . 1.7 t60 -72.05 -35.62 69.37 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -171.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.465 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -61.33 -43.92 98.06 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 126.16 1.784 . . . . 0.0 111.747 172.657 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -65.34 -34.46 78.39 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 176.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.646 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -62.63 -16.4 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 175.077 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.465 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 17.3 m-70 . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 178.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.496 ' HB2' HD13 ' A' ' 21' ' ' LEU . 91.0 m-85 . . . . . 0 N--CA 1.475 0.788 0 CA-C-O 121.69 0.757 . . . . 0.0 112.48 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.661 HG22 ' H ' ' A' ' 9' ' ' SER . 92.4 m -90.49 151.51 21.34 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 113.644 -1.616 . . . . 0.0 109.955 177.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.77 -15.22 18.53 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -177.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.661 ' H ' HG22 ' A' ' 7' ' ' THR 0.27 16.4 p 77.29 -56.03 0.53 Allowed 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 128.623 2.769 . . . . 0.0 111.905 -172.335 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.406 ' HB2' ' CD2' ' A' ' 28' ' ' HIS . 10.4 m-85 -59.88 -39.73 86.27 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 175.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.414 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 26.3 p -106.98 6.69 29.36 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 118.442 -1.303 . . . . 0.0 108.311 176.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.436 ' HA ' HG23 ' A' ' 7' ' ' THR . 0.0 OUTLIER 33.01 23.34 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 117.626 2.454 . . . . 0.0 117.626 -169.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.414 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 8.3 mtp85 -98.91 141.88 31.12 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 114.337 -1.301 . . . . 0.0 110.974 -175.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -91.94 117.08 29.47 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 111.455 -2.612 . . . . 0.0 110.744 -176.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.94 ' HB2' HD12 ' A' ' 21' ' ' LEU . 3.5 m-85 -106.4 134.77 49.02 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 113.967 -1.469 . . . . 0.0 111.056 177.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.614 ' H ' ' HD3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -81.02 40.14 0.53 Allowed 'General case' 0 N--CA 1.482 1.137 0 CA-C-O 123.786 1.755 . . . . 0.0 112.002 170.373 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.504 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 41.6 m -139.28 158.92 43.32 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 113.701 -1.59 . . . . 0.0 111.631 -171.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -114.66 -73.47 0.65 Allowed 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 114.405 -1.271 . . . . 0.0 111.216 174.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.96 -41.68 98.27 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.504 ' HB3' ' HB3' ' A' ' 17' ' ' SER . . . -58.42 -36.05 73.0 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 118.368 -0.825 . . . . 0.0 113.027 173.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.94 HD12 ' HB2' ' A' ' 15' ' ' PHE . 6.0 tt -75.2 -48.57 22.87 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.523 0.729 . . . . 0.0 112.227 179.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.97 -48.44 58.03 Favored Glycine 0 N--CA 1.483 1.823 0 O-C-N 124.034 0.834 . . . . 0.0 111.487 174.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.34 -35.68 91.99 Favored Glycine 0 CA--C 1.539 1.567 0 CA-C-N 113.844 -1.178 . . . . 0.0 113.28 171.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.635 ' O ' HG12 ' A' ' 27' ' ' VAL . 1.8 t60 -72.39 -35.95 68.56 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -172.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.491 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 9.9 ttt -62.49 -42.61 99.61 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.981 1.313 . . . . 0.0 111.843 172.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -63.22 -36.07 82.44 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 174.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.635 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.4 OUTLIER -65.53 -15.32 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 176.034 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.491 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 8.9 m-70 . . . . . 0 N--CA 1.454 -0.239 0 C-N-CA 123.048 0.539 . . . . 0.0 109.583 178.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 . . . . . 0 N--CA 1.479 1.011 0 CA-C-O 120.569 0.223 . . . . 0.0 111.357 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.585 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 74.8 p -98.32 161.7 13.56 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 125.085 1.354 . . . . 0.0 111.366 177.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.33 -6.52 34.09 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -175.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.2 p 68.95 -54.5 0.56 Allowed 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 128.786 2.834 . . . . 0.0 112.934 -168.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.38 -36.81 84.94 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 178.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.2 p -116.77 8.54 13.7 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 173.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.7 pttt 36.17 16.67 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 117.21 2.3 . . . . 0.0 117.21 -170.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.585 ' O ' ' HA ' ' A' ' 7' ' ' THR . 2.4 tpp180 -77.19 136.82 38.59 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.22 1.008 . . . . 0.0 110.172 -173.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -75.79 121.54 22.74 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 113.415 -1.72 . . . . 0.0 112.272 173.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.738 ' HB2' HD12 ' A' ' 21' ' ' LEU . 75.3 m-85 -115.61 160.69 19.68 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-N 112.901 -1.954 . . . . 0.0 109.965 175.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.4 mtt85 -115.23 35.59 4.29 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 114.891 -1.05 . . . . 0.0 113.498 -177.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.525 ' OG ' ' HB3' ' A' ' 20' ' ' ALA . 16.9 p -169.23 139.58 2.23 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 115.179 -0.919 . . . . 0.0 113.368 -176.004 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.11 -55.65 15.39 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 113.91 -1.495 . . . . 0.0 114.047 -179.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -68.87 -46.98 67.04 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 -178.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.525 ' HB3' ' OG ' ' A' ' 17' ' ' SER . . . -66.7 -4.19 8.36 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 174.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.738 HD12 ' HB2' ' A' ' 15' ' ' PHE . 3.7 tt -99.31 -51.51 3.78 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 118.613 -0.708 . . . . 0.0 111.867 166.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.95 -47.48 72.31 Favored Glycine 0 N--CA 1.484 1.869 0 O-C-N 123.424 0.453 . . . . 0.0 112.258 176.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.81 -39.31 96.5 Favored Glycine 0 CA--C 1.536 1.381 0 CA-C-N 113.988 -1.106 . . . . 0.0 112.551 172.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.614 ' O ' HG12 ' A' ' 27' ' ' VAL . 3.2 t60 -70.69 -34.28 71.81 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 117.382 0.591 . . . . 0.0 109.595 -177.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.478 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 0.6 OUTLIER -63.95 -44.78 91.79 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.098 0.959 . . . . 0.0 111.918 172.047 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -63.86 -33.13 75.0 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 176.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.614 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -67.19 -11.65 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 173.521 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.478 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 15.7 m-70 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 175.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 . . . . . 0 N--CA 1.476 0.863 0 CA-C-O 121.775 0.798 . . . . 0.0 112.769 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.666 HG22 ' H ' ' A' ' 9' ' ' SER . 90.4 m -88.16 153.66 21.07 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 113.362 -1.745 . . . . 0.0 110.603 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.98 -14.89 17.68 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 -177.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.666 ' H ' HG22 ' A' ' 7' ' ' THR . 22.7 p 75.97 -53.22 0.62 Allowed 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 129.753 3.221 . . . . 0.0 111.976 -172.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.41 -35.55 80.78 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 113.936 -1.483 . . . . 0.0 114.857 177.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.423 ' SG ' ' HB3' ' A' ' 13' ' ' ARG . 31.3 p -114.21 10.65 17.32 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 173.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.496 ' HA ' HG23 ' A' ' 7' ' ' THR . 10.5 pttp 32.67 18.45 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 118.339 2.718 . . . . 0.0 118.339 -169.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.469 ' O ' ' HA ' ' A' ' 7' ' ' THR . 31.4 ttm-85 -91.89 140.22 29.89 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.4 1.08 . . . . 0.0 109.976 -172.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -86.51 119.34 26.66 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 111.41 -2.632 . . . . 0.0 112.048 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.807 ' HB2' HD12 ' A' ' 21' ' ' LEU . 83.2 m-85 -113.73 131.28 56.24 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 113.24 -1.8 . . . . 0.0 110.73 177.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -75.43 31.69 0.1 Allowed 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 114.626 -1.17 . . . . 0.0 112.893 169.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.43 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 19.9 m -133.97 158.52 43.3 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.391 1.076 . . . . 0.0 112.069 -169.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.42 -67.92 0.96 Allowed 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 114.084 -1.416 . . . . 0.0 111.345 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -58.32 -52.55 65.12 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.833 0.853 . . . . 0.0 111.632 177.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.43 ' HB3' ' HB3' ' A' ' 17' ' ' SER . . . -55.48 -31.57 62.11 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 175.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.807 HD12 ' HB2' ' A' ' 15' ' ' PHE . 5.8 tt -80.28 -50.61 9.97 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.83 0.852 . . . . 0.0 112.047 179.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.1 -46.73 69.45 Favored Glycine 0 N--CA 1.484 1.852 0 O-C-N 123.886 0.741 . . . . 0.0 111.508 176.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.51 -37.62 94.99 Favored Glycine 0 CA--C 1.54 1.637 0 CA-C-N 113.922 -1.139 . . . . 0.0 112.74 171.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.65 ' O ' HG12 ' A' ' 27' ' ' VAL . 1.6 t60 -72.1 -36.62 69.52 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -172.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.431 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -59.45 -43.54 93.15 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.414 1.885 . . . . 0.0 111.264 172.301 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -65.91 -37.2 85.46 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 177.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.65 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -61.4 -17.23 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 114.236 1.199 . . . . 0.0 114.236 175.8 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.431 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 14.8 m-70 . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.481 ' O ' ' HA ' ' A' ' 14' ' ' GLU . 79.4 m-85 . . . . . 0 N--CA 1.474 0.751 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.595 HG22 ' H ' ' A' ' 9' ' ' SER . 8.1 m -104.72 154.34 20.12 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 125.95 1.7 . . . . 0.0 109.863 -176.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.23 -14.47 18.46 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -176.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.595 ' H ' HG22 ' A' ' 7' ' ' THR . 20.0 p 75.52 -53.03 0.65 Allowed 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 129.441 3.097 . . . . 0.0 112.337 -172.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.39 -31.9 73.29 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 177.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.0 p -115.26 9.36 15.71 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 173.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 pttp 31.34 25.42 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 117.519 2.414 . . . . 0.0 117.519 -171.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 ttm-85 -105.07 140.13 38.71 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.976 0.894 . . . . 0.0 110.329 -172.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.481 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -80.07 123.89 28.26 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 112.924 -1.944 . . . . 0.0 112.821 178.258 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -114.02 154.11 28.23 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 113.035 -1.893 . . . . 0.0 111.648 176.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -109.27 46.15 1.01 Allowed 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 114.713 -1.13 . . . . 0.0 113.907 -174.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.629 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 21.1 p -174.42 140.81 0.66 Allowed 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 115.17 -0.923 . . . . 0.0 113.083 -177.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.87 -55.81 11.48 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 114.789 -1.096 . . . . 0.0 112.954 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -48.07 64.0 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.516 ' HB3' ' OG ' ' A' ' 17' ' ' SER . . . -71.71 4.44 3.22 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 174.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.629 ' HB2' ' O ' ' A' ' 17' ' ' SER . 0.4 OUTLIER -101.86 -53.14 3.02 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.885 0.874 . . . . 0.0 111.421 163.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.19 -46.93 84.69 Favored Glycine 0 N--CA 1.483 1.794 0 O-C-N 123.512 0.508 . . . . 0.0 112.546 176.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.15 -38.88 95.78 Favored Glycine 0 CA--C 1.537 1.416 0 CA-C-N 114.233 -0.983 . . . . 0.0 112.454 172.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.612 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.3 t60 -69.76 -36.34 75.69 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 117.479 0.64 . . . . 0.0 109.622 -177.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.457 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -59.67 -45.35 92.33 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.597 1.959 . . . . 0.0 111.381 172.345 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -66.05 -31.19 71.93 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 176.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.612 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.5 OUTLIER -69.84 -8.48 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 173.44 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.457 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 10.6 m-70 . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 176.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.489 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 41.5 p -71.0 159.97 33.78 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 113.533 -1.667 . . . . 0.0 110.805 174.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -104.34 -5.3 21.89 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -177.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.0 p 69.84 -54.73 0.6 Allowed 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 128.655 2.782 . . . . 0.0 112.491 -169.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.07 -38.92 84.28 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.506 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 4.4 p -119.29 12.54 12.57 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 174.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 28.13 29.12 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 117.235 2.309 . . . . 0.0 117.235 -168.079 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.506 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -80.86 120.75 25.1 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.842 1.657 . . . . 0.0 110.791 -177.453 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -74.34 111.73 9.8 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 112.819 -1.991 . . . . 0.0 111.634 177.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.582 ' CG ' HD23 ' A' ' 21' ' ' LEU . 7.4 m-85 -110.34 132.1 54.48 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 114.592 -1.185 . . . . 0.0 113.547 176.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -77.86 47.36 0.63 Allowed 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 123.566 1.65 . . . . 0.0 112.047 169.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.2 m -153.03 158.36 41.87 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 113.727 -1.579 . . . . 0.0 111.803 -171.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -114.71 -71.76 0.73 Allowed 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 113.748 -1.569 . . . . 0.0 110.879 174.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -63.88 -42.58 97.45 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 -178.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.76 -40.33 79.5 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 173.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.582 HD23 ' CG ' ' A' ' 15' ' ' PHE . 3.1 tm? -72.0 -42.84 65.96 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.767 0.827 . . . . 0.0 112.241 176.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.63 -48.92 68.07 Favored Glycine 0 N--CA 1.482 1.736 0 C-N-CA 123.606 0.622 . . . . 0.0 112.474 174.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.59 -37.65 94.54 Favored Glycine 0 CA--C 1.54 1.596 0 CA-C-N 114.917 -0.642 . . . . 0.0 112.984 172.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.6 ' O ' HG12 ' A' ' 27' ' ' VAL . 3.3 t60 -71.93 -35.69 69.72 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.094 0.558 . . . . 0.0 109.615 -174.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.469 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -61.77 -45.16 95.1 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.173 1.789 . . . . 0.0 111.656 171.678 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -63.31 -39.17 93.81 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 176.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.6 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.5 OUTLIER -63.76 -7.97 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 176.466 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.469 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 12.6 m-70 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 175.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.402 ' HB ' ' HA ' ' A' ' 12' ' ' LYS . 79.4 p -78.74 162.97 25.78 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 114.224 -1.353 . . . . 0.0 110.832 176.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.44 -4.15 29.5 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -178.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.265 17.1 p 67.81 -58.91 0.43 Allowed 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 127.434 2.294 . . . . 0.0 112.788 -167.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.448 ' HB2' ' CD2' ' A' ' 28' ' ' HIS . 17.6 m-85 -58.95 -42.47 89.9 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.868 1.432 . . . . 0.0 114.868 176.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.5 p -116.02 12.66 15.71 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.402 ' HA ' ' HB ' ' A' ' 7' ' ' THR . 0.0 OUTLIER 28.63 26.94 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 118.131 2.641 . . . . 0.0 118.131 -169.56 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.4 ' O ' ' HA ' ' A' ' 7' ' ' THR . 21.5 ttm-85 -83.42 131.65 35.02 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 121.985 0.898 . . . . 0.0 110.028 -176.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -72.26 110.91 7.03 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 112.031 -2.349 . . . . 0.0 112.641 175.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -105.18 131.77 52.24 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 112.718 -2.037 . . . . 0.0 111.013 173.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.03 24.78 0.89 Allowed 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 113.118 -1.856 . . . . 0.0 113.217 176.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.489 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 34.7 p -160.5 133.6 6.62 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-O 122.566 1.174 . . . . 0.0 113.792 -167.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.0 -66.97 0.46 Allowed 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 112.568 -2.105 . . . . 0.0 114.105 -178.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -64.17 -42.06 96.86 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 114.225 1.195 . . . . 0.0 114.225 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.481 ' HB3' ' OG ' ' A' ' 17' ' ' SER . . . -68.89 -6.42 27.14 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 174.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.489 ' HB2' ' O ' ' A' ' 17' ' ' SER . 2.7 tt -94.52 -52.87 4.12 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 118.61 -0.709 . . . . 0.0 110.642 166.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.32 -49.14 70.33 Favored Glycine 0 N--CA 1.485 1.938 0 O-C-N 123.436 0.46 . . . . 0.0 113.4 177.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.9 -39.31 97.88 Favored Glycine 0 CA--C 1.536 1.384 0 CA-C-N 114.191 -1.005 . . . . 0.0 111.84 173.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.628 ' O ' HG12 ' A' ' 27' ' ' VAL . 4.6 t60 -72.4 -37.13 68.76 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 -176.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.53 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -62.82 -42.4 99.71 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.864 1.666 . . . . 0.0 112.1 172.728 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -66.2 -34.25 77.59 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 175.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.628 HG12 ' O ' ' A' ' 24' ' ' HIS 0.251 0.5 OUTLIER -64.38 -15.09 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 172.632 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.53 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 10.3 m-70 . . . . . 0 C--N 1.343 0.296 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.426 ' O ' ' HA ' ' A' ' 14' ' ' GLU . 99.6 m-85 . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 121.079 0.466 . . . . 0.0 112.024 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.642 HG22 ' H ' ' A' ' 9' ' ' SER . 16.4 m -102.92 157.71 16.78 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.414 1.486 . . . . 0.0 109.687 -177.175 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.14 -10.8 18.53 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -176.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.642 ' H ' HG22 ' A' ' 7' ' ' THR . 18.2 p 74.09 -53.0 0.69 Allowed 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 129.438 3.095 . . . . 0.0 112.373 -171.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.34 -43.97 89.22 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 178.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.8 p -98.99 5.96 46.92 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 119.128 -1.029 . . . . 0.0 108.257 173.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 32.12 25.47 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 118.038 2.607 . . . . 0.0 118.038 -170.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.541 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -97.16 145.3 26.15 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 114.099 -1.409 . . . . 0.0 110.052 -177.051 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.426 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 4.4 mt-10 -100.18 125.79 46.37 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 113.066 -1.879 . . . . 0.0 110.851 -178.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.697 ' HB2' HD11 ' A' ' 21' ' ' LEU . 26.1 m-85 -124.02 160.51 27.49 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 112.689 -2.05 . . . . 0.0 111.146 -176.05 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.29 61.21 0.6 Allowed 'General case' 0 N--CA 1.489 1.486 0 CA-C-O 122.685 1.231 . . . . 0.0 113.69 -178.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.505 ' O ' HD13 ' A' ' 21' ' ' LEU . 58.5 m -159.36 164.14 34.98 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -178.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -118.35 7.18 11.92 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 115.621 1.711 . . . . 0.0 115.621 174.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -130.69 -51.79 1.06 Allowed 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.119 0.968 . . . . 0.0 112.63 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -47.09 -42.26 18.64 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 117.675 -1.155 . . . . 0.0 112.713 171.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.697 HD11 ' HB2' ' A' ' 15' ' ' PHE . 5.9 mp -65.4 -50.01 67.09 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 176.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.54 -49.39 65.21 Favored Glycine 0 N--CA 1.481 1.673 0 O-C-N 124.076 0.86 . . . . 0.0 111.274 178.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.23 -39.59 97.9 Favored Glycine 0 CA--C 1.538 1.522 0 CA-C-N 113.717 -1.242 . . . . 0.0 112.624 172.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.622 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.3 t60 -72.54 -35.19 67.99 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -173.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.55 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 14.3 ttp -66.09 -39.66 90.18 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.099 1.36 . . . . 0.0 112.372 173.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -62.96 -39.43 94.66 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.991 174.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.4 OUTLIER -63.66 -14.54 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 176.13 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.55 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 9.3 m-70 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 176.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 N--CA 1.476 0.852 0 CA-C-O 122.03 0.919 . . . . 0.0 112.943 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.568 HG22 ' HA ' ' A' ' 12' ' ' LYS . 0.8 OUTLIER -110.91 155.55 22.48 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 112.921 -1.945 . . . . 0.0 108.163 -169.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.64 -13.4 20.35 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -177.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.263 17.7 p 74.39 -56.28 0.64 Allowed 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 128.576 2.75 . . . . 0.0 112.238 -171.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -59.67 -38.51 81.68 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 175.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.6 p -114.25 10.54 17.24 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 118.991 -1.084 . . . . 0.0 108.27 176.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.568 ' HA ' HG22 ' A' ' 7' ' ' THR . 0.2 OUTLIER 27.7 29.75 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 118.609 2.818 . . . . 0.0 118.609 -170.414 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.5 ttm-85 -93.17 133.85 35.94 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 -176.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -80.21 122.52 26.95 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 112.824 -1.989 . . . . 0.0 111.376 176.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.471 ' HB2' HD11 ' A' ' 21' ' ' LEU . 20.8 m-85 -114.1 160.38 18.99 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 112.723 -2.035 . . . . 0.0 111.913 175.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -97.61 26.32 5.1 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-N 113.051 -1.886 . . . . 0.0 114.894 -174.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.1 p -176.96 136.99 0.22 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -175.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.85 -49.06 72.03 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 113.514 -1.675 . . . . 0.0 114.153 -176.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -68.61 -38.84 80.89 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.54 -37.44 70.5 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 117.752 -1.118 . . . . 0.0 111.116 171.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.471 HD11 ' HB2' ' A' ' 15' ' ' PHE . 6.7 mt -70.69 -47.36 60.27 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 171.099 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.85 -47.14 48.22 Favored Glycine 0 N--CA 1.483 1.799 0 O-C-N 123.929 0.768 . . . . 0.0 112.201 175.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.06 -43.22 73.61 Favored Glycine 0 CA--C 1.538 1.478 0 CA-C-N 114.226 -0.987 . . . . 0.0 113.733 173.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.61 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.9 t60 -71.74 -35.24 70.07 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -172.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.499 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -63.34 -45.3 91.88 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 126.48 1.912 . . . . 0.0 111.029 172.608 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -65.56 -26.99 68.11 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 174.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.61 HG12 ' O ' ' A' ' 24' ' ' HIS 0.259 0.4 OUTLIER -72.5 -12.13 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 172.413 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.499 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 8.8 m-70 . . . . . 0 N--CA 1.453 -0.323 0 C-N-CA 123.685 0.794 . . . . 0.0 109.663 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.493 ' HB2' ' CD1' ' A' ' 21' ' ' LEU . 92.4 m-85 . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 121.619 0.724 . . . . 0.0 112.467 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.637 HG22 ' H ' ' A' ' 9' ' ' SER . 8.4 m -100.17 154.94 18.04 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 113.295 -1.775 . . . . 0.0 109.433 -175.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.68 -12.4 19.19 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -177.208 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.637 ' H ' HG22 ' A' ' 7' ' ' THR . 22.2 p 73.56 -53.06 0.7 Allowed 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 129.492 3.117 . . . . 0.0 112.449 -171.222 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.47 -37.38 87.09 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 177.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.8 p -108.81 9.49 26.81 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 173.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 29.71 27.48 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 118.115 2.635 . . . . 0.0 118.115 -171.052 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.417 ' O ' ' HA ' ' A' ' 7' ' ' THR . 1.5 mtp-105 -102.93 148.83 25.17 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.141 1.376 . . . . 0.0 110.796 -174.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -95.33 121.31 36.86 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 112.578 -2.101 . . . . 0.0 113.158 -177.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -111.0 162.1 15.19 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 112.052 -2.34 . . . . 0.0 112.075 178.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -111.27 40.85 1.98 Allowed 'General case' 0 N--CA 1.484 1.243 0 CA-C-N 113.468 -1.696 . . . . 0.0 114.772 -176.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.558 ' OG ' ' HB3' ' A' ' 20' ' ' ALA . 15.0 p -176.76 137.37 0.25 Allowed 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 -178.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.24 -54.27 31.89 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 114.137 -1.392 . . . . 0.0 113.751 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -68.1 -43.64 77.99 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -178.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.558 ' HB3' ' OG ' ' A' ' 17' ' ' SER . . . -69.81 -2.12 11.24 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 173.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.493 ' CD1' ' HB2' ' A' ' 6' ' ' TYR . 6.1 mt -93.22 -50.39 5.51 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 158.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.29 -49.59 55.84 Favored Glycine 0 N--CA 1.484 1.889 0 O-C-N 123.843 0.714 . . . . 0.0 112.072 176.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.23 -39.76 96.27 Favored Glycine 0 CA--C 1.537 1.455 0 CA-C-N 113.877 -1.162 . . . . 0.0 112.784 173.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.626 ' O ' HG12 ' A' ' 27' ' ' VAL . 3.0 t60 -70.25 -35.65 73.93 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -175.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.565 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 21.1 ttm -63.94 -41.09 97.71 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.365 1.466 . . . . 0.0 112.066 173.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -60.82 -40.0 91.13 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 173.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.626 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -64.7 -10.53 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 176.506 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.565 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 7.3 m-70 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 177.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 121.82 0.819 . . . . 0.0 111.616 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.632 HG22 ' H ' ' A' ' 9' ' ' SER . 8.1 m -86.58 155.62 20.38 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 125.907 1.683 . . . . 0.0 109.715 -176.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.93 -8.93 19.29 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -177.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.632 ' H ' HG22 ' A' ' 7' ' ' THR . 18.9 p 73.92 -54.18 0.68 Allowed 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 129.219 3.008 . . . . 0.0 112.246 -171.066 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.74 -46.97 76.86 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 178.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.9 p -96.98 7.81 45.84 Favored 'General case' 0 C--N 1.343 0.324 0 C-N-CA 118.9 -1.12 . . . . 0.0 108.305 174.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.0 pttt 34.33 20.31 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 117.034 2.235 . . . . 0.0 117.034 -170.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.432 ' O ' ' HA ' ' A' ' 7' ' ' THR . 3.1 ttm-85 -95.26 136.34 35.73 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.68 0.752 . . . . 0.0 109.689 -172.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -84.05 120.88 26.67 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 112.855 -1.975 . . . . 0.0 110.385 178.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.655 ' HB2' HD11 ' A' ' 21' ' ' LEU . 81.6 m-85 -116.76 144.2 44.75 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 114.434 -1.257 . . . . 0.0 112.256 178.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.5 ttp85 -85.67 38.11 0.73 Allowed 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 113.883 -1.508 . . . . 0.0 113.578 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.5 m -149.1 177.19 9.82 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.101 -178.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -122.38 -63.79 1.25 Allowed 'General case' 0 N--CA 1.481 1.08 0 O-C-N 124.023 0.827 . . . . 0.0 112.658 175.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -60.16 -36.54 77.79 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 178.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.41 -34.57 64.51 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 118.373 -0.822 . . . . 0.0 112.345 170.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.655 HD11 ' HB2' ' A' ' 15' ' ' PHE . 8.3 mp -80.31 -44.86 18.83 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.722 1.209 . . . . 0.0 113.252 -178.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.63 -51.9 36.24 Favored Glycine 0 N--CA 1.484 1.848 0 O-C-N 124.496 1.122 . . . . 0.0 110.892 173.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.49 -39.46 97.71 Favored Glycine 0 CA--C 1.54 1.632 0 CA-C-N 113.557 -1.322 . . . . 0.0 113.311 173.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.633 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.1 t60 -73.49 -37.5 65.69 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -173.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.593 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 8.9 ttp -65.58 -38.54 89.82 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.72 1.208 . . . . 0.0 111.506 173.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -61.74 -32.62 72.87 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 171.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.633 HG12 ' O ' ' A' ' 24' ' ' HIS 0.264 0.3 OUTLIER -67.6 -15.68 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 174.901 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.593 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 8.1 m-70 . . . . . 0 N--CA 1.452 -0.332 0 C-N-CA 123.479 0.712 . . . . 0.0 109.618 -178.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.46 ' O ' ' HA ' ' A' ' 14' ' ' GLU . 57.8 m-85 . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 122.111 0.958 . . . . 0.0 112.392 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.485 HG22 ' HA ' ' A' ' 12' ' ' LYS . 2.2 m -101.49 152.35 20.87 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 112.794 -2.003 . . . . 0.0 108.284 -174.14 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.36 -11.46 27.72 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 -177.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.9 p 73.71 -53.14 0.69 Allowed 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 129.478 3.111 . . . . 0.0 112.294 -171.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.58 -42.29 95.71 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 177.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 32.1 p -108.81 10.86 26.54 Favored 'General case' 0 C--N 1.342 0.276 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 173.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.485 ' HA ' HG22 ' A' ' 7' ' ' THR . 23.7 pttt 32.55 26.89 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 117.598 2.444 . . . . 0.0 117.598 -172.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -101.08 137.25 39.7 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.591 0.756 . . . . 0.0 109.999 -172.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.46 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 1.8 mt-10 -82.8 122.69 28.53 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 112.932 -1.94 . . . . 0.0 114.0 -178.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.491 ' HB2' HD12 ' A' ' 21' ' ' LEU . 11.5 m-85 -110.89 155.41 22.66 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 111.44 -2.618 . . . . 0.0 111.268 178.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.65 38.35 2.18 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-N 114.328 -1.305 . . . . 0.0 113.044 -178.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.507 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 30.5 p -169.65 139.18 1.98 Allowed 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 115.295 -0.866 . . . . 0.0 113.187 -174.074 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.47 -58.15 4.34 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 114.427 -1.261 . . . . 0.0 113.396 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.93 -48.21 77.46 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.501 ' HB3' ' OG ' ' A' ' 17' ' ' SER . . . -71.38 2.52 4.77 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 174.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.507 ' HB2' ' O ' ' A' ' 17' ' ' SER . 3.1 tt -101.07 -51.11 3.61 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.303 0.641 . . . . 0.0 110.87 165.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.46 -48.49 75.74 Favored Glycine 0 N--CA 1.484 1.887 0 O-C-N 123.473 0.483 . . . . 0.0 112.373 175.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.82 -38.31 95.95 Favored Glycine 0 CA--C 1.537 1.451 0 CA-C-N 114.366 -0.917 . . . . 0.0 112.48 173.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.61 ' O ' HG12 ' A' ' 27' ' ' VAL . 3.5 t60 -69.67 -36.37 75.97 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -178.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.541 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 2.7 ttp -64.55 -39.32 93.53 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.801 1.24 . . . . 0.0 112.355 172.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -64.54 -35.73 81.93 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 174.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.61 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.5 OUTLIER -68.08 -9.03 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 174.12 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.541 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 8.3 m-70 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 176.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.552 HG22 ' H ' ' A' ' 9' ' ' SER . 32.2 m -86.8 151.22 23.55 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 113.247 -1.797 . . . . 0.0 110.307 176.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.8 -13.96 18.21 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 114.894 -1.048 . . . . 0.0 108.374 -175.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.552 ' H ' HG22 ' A' ' 7' ' ' THR . 21.3 p 76.25 -52.49 0.61 Allowed 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 129.935 3.294 . . . . 0.0 111.967 -172.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.82 -37.21 85.62 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 178.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.7 p -108.02 5.68 26.35 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 171.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.482 ' HA ' HG23 ' A' ' 7' ' ' THR . 12.5 ptmt 34.63 22.87 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 117.74 2.496 . . . . 0.0 117.74 -170.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.69 135.42 41.13 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 114.437 -1.256 . . . . 0.0 110.296 -172.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -83.41 118.68 23.89 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 111.429 -2.623 . . . . 0.0 110.535 -178.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.575 ' HB2' HD11 ' A' ' 21' ' ' LEU . 72.7 m-85 -115.3 140.83 48.77 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 113.909 -1.496 . . . . 0.0 112.044 178.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.5 ttp180 -86.88 46.72 1.4 Allowed 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 113.692 -1.595 . . . . 0.0 112.526 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.8 m -155.56 -178.89 7.6 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.948 -179.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -126.87 -61.81 1.15 Allowed 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.641 175.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -60.04 -41.14 91.64 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.3 -29.83 58.99 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 114.978 -1.01 . . . . 0.0 113.201 171.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.575 HD11 ' HB2' ' A' ' 15' ' ' PHE . 8.3 mp -85.46 -44.98 12.26 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.664 1.186 . . . . 0.0 113.388 -177.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.1 -49.82 48.08 Favored Glycine 0 N--CA 1.482 1.741 0 O-C-N 124.48 1.113 . . . . 0.0 110.77 172.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.32 -40.89 99.48 Favored Glycine 0 CA--C 1.539 1.588 0 CA-C-N 113.574 -1.313 . . . . 0.0 113.322 172.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.631 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.2 t60 -72.82 -36.78 67.59 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -172.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.547 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 1.4 tmm? -64.52 -37.67 88.36 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.412 1.485 . . . . 0.0 111.97 173.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -65.78 -35.07 79.66 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 174.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.631 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.4 OUTLIER -67.11 -12.74 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 N-CA-C 114.552 1.316 . . . . 0.0 114.552 174.02 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.547 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 8.5 m-70 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 177.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 . . . . . 0 N--CA 1.474 0.737 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.65 HG22 ' H ' ' A' ' 9' ' ' SER . 96.9 m -81.14 151.08 28.43 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 113.938 -1.483 . . . . 0.0 111.323 175.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.67 -15.78 18.42 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -177.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.65 ' H ' HG22 ' A' ' 7' ' ' THR 0.265 16.0 p 76.25 -56.55 0.57 Allowed 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 128.665 2.786 . . . . 0.0 112.146 -172.065 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.41 ' HB2' ' CD2' ' A' ' 28' ' ' HIS . 15.8 m-85 -57.86 -37.79 74.54 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.714 1.375 . . . . 0.0 114.714 175.051 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 26.0 p -113.84 12.66 18.26 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 118.46 -1.296 . . . . 0.0 108.265 177.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.432 ' HA ' HG23 ' A' ' 7' ' ' THR . 0.0 OUTLIER 32.43 23.13 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 117.876 2.547 . . . . 0.0 117.876 -171.563 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.515 ' O ' ' HA ' ' A' ' 7' ' ' THR . 2.9 mtp-105 -99.03 146.57 25.91 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.731 1.213 . . . . 0.0 112.032 -173.187 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -89.12 115.64 26.79 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 112.297 -2.229 . . . . 0.0 111.546 -178.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.831 ' HB2' HD12 ' A' ' 21' ' ' LEU . 24.7 m-85 -106.45 138.2 43.07 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 114.019 -1.446 . . . . 0.0 111.651 173.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.4 ptt-85 -93.47 28.42 2.27 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 113.296 -1.775 . . . . 0.0 113.056 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.6 p -147.36 138.93 24.0 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -171.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.04 -73.02 0.19 Allowed 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 114.835 -1.075 . . . . 0.0 112.989 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -59.85 -48.83 80.09 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.012 0.925 . . . . 0.0 112.497 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.42 -4.79 8.95 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 115.875 1.806 . . . . 0.0 115.875 177.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.831 HD12 ' HB2' ' A' ' 15' ' ' PHE . 6.4 tt -99.68 -52.86 3.34 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 118.517 -0.754 . . . . 0.0 111.308 163.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.78 -48.44 56.83 Favored Glycine 0 N--CA 1.483 1.831 0 CA-C-O 121.518 0.51 . . . . 0.0 112.099 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.71 -36.93 93.73 Favored Glycine 0 CA--C 1.537 1.437 0 CA-C-N 113.492 -1.354 . . . . 0.0 112.61 171.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.644 ' O ' HG12 ' A' ' 27' ' ' VAL . 1.7 t60 -69.58 -35.94 75.81 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 117.893 0.846 . . . . 0.0 109.592 -177.328 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.497 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 9.3 ttt -62.73 -42.11 99.5 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.35 1.46 . . . . 0.0 111.971 173.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -66.75 -29.27 69.2 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 174.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.644 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -66.99 -15.02 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 172.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.497 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 13.2 m-70 . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 178.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 . . . . . 0 N--CA 1.478 0.96 0 CA-C-O 121.27 0.557 . . . . 0.0 111.84 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.61 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 29.7 m -93.91 154.54 17.64 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 113.88 -1.509 . . . . 0.0 111.039 178.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.34 -16.81 16.79 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 -175.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.543 ' H ' HG22 ' A' ' 7' ' ' THR . 20.9 p 76.42 -52.6 0.6 Allowed 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 129.837 3.255 . . . . 0.0 112.138 -172.446 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.99 -40.44 94.96 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 115.019 1.489 . . . . 0.0 115.019 178.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.5 p -109.29 12.52 24.76 Favored 'General case' 0 C--N 1.343 0.292 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 172.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.5 pttm 34.61 14.97 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 118.566 2.802 . . . . 0.0 118.566 -170.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.61 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -80.83 150.25 29.22 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.706 1.202 . . . . 0.0 110.101 -172.577 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -106.63 118.08 35.72 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 112.991 -1.913 . . . . 0.0 109.919 -176.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.542 ' HB2' HD11 ' A' ' 21' ' ' LEU . 35.3 m-85 -121.94 155.56 35.25 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 113.033 -1.894 . . . . 0.0 111.977 -176.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -108.08 56.61 0.63 Allowed 'General case' 0 N--CA 1.487 1.382 0 CA-C-N 113.092 -1.867 . . . . 0.0 113.003 -175.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.535 ' O ' HD13 ' A' ' 21' ' ' LEU . 58.8 m -162.44 163.69 27.53 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.726 -176.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -121.36 18.6 11.42 Favored 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 115.208 1.559 . . . . 0.0 115.208 176.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.517 ' HG3' ' H ' ' A' ' 20' ' ' ALA . 21.7 pt20 -134.52 -57.25 0.84 Allowed 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.926 0.89 . . . . 0.0 112.628 -176.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.517 ' H ' ' HG3' ' A' ' 19' ' ' GLN . . . -48.91 -37.0 18.51 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 114.52 -1.218 . . . . 0.0 112.78 171.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.542 HD11 ' HB2' ' A' ' 15' ' ' PHE . 7.2 mp -68.89 -51.09 43.92 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 177.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.62 -49.45 65.3 Favored Glycine 0 N--CA 1.481 1.65 0 O-C-N 124.332 1.02 . . . . 0.0 111.198 177.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.07 -42.23 99.72 Favored Glycine 0 CA--C 1.539 1.542 0 CA-C-N 114.005 -1.097 . . . . 0.0 112.933 173.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.605 ' O ' HG12 ' A' ' 27' ' ' VAL . 3.2 t60 -72.4 -37.58 68.64 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -174.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.558 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 4.0 tmm? -65.13 -38.03 89.34 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.366 1.467 . . . . 0.0 111.884 174.192 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -66.63 -35.35 79.97 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 174.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.605 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.9 OUTLIER -65.68 -16.67 20.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 173.46 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.558 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 7.9 m-70 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 178.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.484 HG22 ' H ' ' A' ' 9' ' ' SER . 3.0 m -85.59 154.71 21.54 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 112.611 -2.086 . . . . 0.0 108.78 -178.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.22 -11.49 18.72 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -178.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.484 ' H ' HG22 ' A' ' 7' ' ' THR 0.263 18.1 p 74.3 -57.0 0.63 Allowed 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 128.555 2.742 . . . . 0.0 112.096 -171.26 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -58.58 -36.81 74.56 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 175.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.7 p -113.45 10.24 18.22 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 119.03 -1.068 . . . . 0.0 108.259 177.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt 32.32 24.46 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 117.415 2.376 . . . . 0.0 117.415 -171.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.3 ttm-85 -101.15 131.4 47.12 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 122.015 0.912 . . . . 0.0 108.559 -172.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -81.66 118.3 22.7 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 111.243 -2.708 . . . . 0.0 110.956 -177.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -113.79 136.8 52.46 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 113.391 -1.731 . . . . 0.0 112.104 177.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.8 ptt180 -83.27 37.89 0.58 Allowed 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 113.469 -1.696 . . . . 0.0 111.887 173.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.4 m -139.68 159.32 42.45 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 114.047 -1.433 . . . . 0.0 112.243 -170.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.66 -75.12 0.59 Allowed 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 113.943 -1.481 . . . . 0.0 110.85 175.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? -61.7 -43.2 99.3 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -178.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.83 -41.29 86.53 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 172.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -74.74 -39.78 61.65 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.517 0.727 . . . . 0.0 112.765 178.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.19 -47.61 80.31 Favored Glycine 0 N--CA 1.482 1.747 0 O-C-N 123.794 0.684 . . . . 0.0 111.784 172.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.66 -37.09 92.92 Favored Glycine 0 N--CA 1.48 1.63 0 CA-C-N 114.768 -0.716 . . . . 0.0 112.925 172.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.63 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.2 t60 -72.12 -36.9 69.55 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -174.128 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.527 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 9.5 ttp -62.27 -41.75 98.75 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.334 1.054 . . . . 0.0 112.123 172.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -70.16 -22.93 62.92 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 175.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.63 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.4 OUTLIER -72.55 -14.91 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 170.115 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.527 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 11.1 m-70 . . . . . 0 N--CA 1.454 -0.27 0 C-N-CA 123.39 0.676 . . . . 0.0 109.648 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.593 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . . . . . . 0 C--O 1.231 0.084 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.437 ' CD1' ' C ' ' A' ' 1' ' ' TRP . 0.2 OUTLIER -134.23 89.59 27.62 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 108.121 . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.48 168.23 16.89 Favored 'Trans proline' 0 CA--C 1.549 1.235 0 C-N-CA 123.652 2.901 . . . . 0.0 114.449 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -68.46 -52.4 0.46 Allowed 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 122.14 1.893 . . . . 0.0 115.278 177.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.3 ptt-85 -90.0 22.93 2.98 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -175.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 p 178.16 146.19 0.14 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.983 1.313 . . . . 0.0 111.086 -169.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -139.55 163.32 32.86 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 114.447 -1.251 . . . . 0.0 110.115 -170.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.593 ' OG1' ' O ' ' A' ' 0' ' ' ACE . 2.1 m -112.28 155.15 24.55 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.937 1.295 . . . . 0.0 109.512 -173.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.44 -10.09 22.62 Favored 'General case' 0 C--N 1.344 0.35 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -178.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.0 p 73.77 -54.93 0.68 Allowed 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 129.489 3.116 . . . . 0.0 112.336 -171.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.86 -33.71 74.67 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 176.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.8 p -113.11 8.51 18.33 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 174.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.0 pttt 30.01 25.9 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 117.432 2.382 . . . . 0.0 117.432 -171.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.44 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -95.26 130.93 41.83 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.338 1.055 . . . . 0.0 108.864 -174.299 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -80.34 121.63 25.92 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 112.43 -2.168 . . . . 0.0 112.46 175.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.749 ' HB2' HD11 ' A' ' 21' ' ' LEU . 67.0 m-85 -119.85 157.17 29.24 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 113.024 -1.898 . . . . 0.0 110.712 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.3 mtm105 -103.45 40.33 1.43 Allowed 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 114.769 -1.105 . . . . 0.0 113.961 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.4 m -139.15 178.2 7.35 Favored 'General case' 0 N--CA 1.484 1.23 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.29 -174.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -124.16 -65.48 1.05 Allowed 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 120.802 0.334 . . . . 0.0 111.683 170.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -61.34 -37.31 82.82 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 115.161 -0.927 . . . . 0.0 113.145 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.54 -39.48 76.72 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 116.996 -1.478 . . . . 0.0 112.588 171.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.749 HD11 ' HB2' ' A' ' 15' ' ' PHE . 4.9 mp -68.78 -46.15 69.47 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 175.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.25 -51.81 39.8 Favored Glycine 0 N--CA 1.484 1.837 0 O-C-N 124.514 1.134 . . . . 0.0 111.213 175.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.98 -39.21 97.79 Favored Glycine 0 CA--C 1.539 1.547 0 CA-C-N 113.837 -1.182 . . . . 0.0 113.126 173.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.605 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.0 t60 -72.53 -34.81 67.83 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 -172.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.567 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 17.6 ttt -64.9 -41.13 95.85 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.874 1.27 . . . . 0.0 111.96 173.114 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -65.94 -31.4 72.3 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 174.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.605 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.5 OUTLIER -68.95 -14.17 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 N-CA-C 114.212 1.189 . . . . 0.0 114.212 173.742 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.567 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 9.9 m-70 -59.39 131.31 50.58 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.67 95.17 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 124.325 1.05 . . . . 0.0 110.844 175.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 60.49 169.79 0.09 Allowed 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 114.062 -1.427 . . . . 0.0 111.853 -176.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -75.67 -59.77 2.61 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 114.886 -1.052 . . . . 0.0 112.933 169.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 41.72 33.27 0.31 Allowed 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 127.163 2.185 . . . . 0.0 116.447 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -160.41 -176.43 5.6 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.501 1.521 . . . . 0.0 108.598 -171.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.14 -142.52 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.477 1.111 . . . . 0.0 110.059 177.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.4 mt 70.06 121.38 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 126.691 1.996 . . . . 0.0 110.45 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.4 -44.68 84.72 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 114.494 -1.23 . . . . 0.0 113.672 -174.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -127.51 -60.52 1.18 Allowed 'General case' 0 N--CA 1.483 1.181 0 CA-C-O 117.674 -1.155 . . . . 0.0 112.279 171.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.899 0 O-C-N 123.851 0.72 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.024 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.536 ' CD1' ' N ' ' A' ' 1' ' ' TRP . 0.0 OUTLIER 172.22 142.43 0.13 Allowed Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -69.11 158.65 57.0 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 124.279 3.319 . . . . 0.0 112.881 176.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -65.86 -36.25 32.15 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 123.116 2.544 . . . . 0.0 114.06 174.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -88.6 129.62 35.45 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.866 0.866 . . . . 0.0 110.128 175.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.424 ' HB3' ' HB3' ' A' ' 14' ' ' GLU . 0.4 OUTLIER 58.35 150.2 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.528 1.131 . . . . 0.0 113.715 -175.322 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -126.99 145.68 50.62 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 173.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.514 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 70.5 p -73.84 162.94 28.58 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 113.394 -1.73 . . . . 0.0 110.545 176.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.71 -2.92 27.3 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.6 p 68.83 -54.85 0.55 Allowed 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 128.736 2.815 . . . . 0.0 113.057 -168.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.27 -44.79 86.93 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 179.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.7 p -108.25 9.05 28.09 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 174.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 pttp 33.94 22.35 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 116.963 2.209 . . . . 0.0 116.963 -170.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.514 ' O ' ' HA ' ' A' ' 7' ' ' THR . 6.2 ttt-85 -81.11 133.36 35.46 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.862 0.865 . . . . 0.0 109.687 -174.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.424 ' HB3' ' HB3' ' A' ' 5' ' ' SER . 27.0 mt-10 -78.85 111.01 14.57 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 112.684 -2.053 . . . . 0.0 111.835 178.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.565 ' HB2' HD12 ' A' ' 21' ' ' LEU . 89.7 m-85 -109.73 133.88 52.63 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 114.122 -1.399 . . . . 0.0 111.106 176.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.4 ttm-85 -84.99 44.46 1.08 Allowed 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 123.272 1.511 . . . . 0.0 110.362 173.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.413 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 4.6 m -148.89 160.69 43.02 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 114.348 -1.296 . . . . 0.0 112.782 -172.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -116.04 -68.49 0.92 Allowed 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 114.614 -1.175 . . . . 0.0 111.558 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.424 ' H ' ' CD ' ' A' ' 19' ' ' GLN . 3.7 pm0 -53.45 -49.26 67.77 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 113.391 0.885 . . . . 0.0 113.391 174.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.413 ' HB3' ' HB3' ' A' ' 17' ' ' SER . . . -62.88 -26.99 69.05 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 114.432 -1.258 . . . . 0.0 113.631 176.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.565 HD12 ' HB2' ' A' ' 15' ' ' PHE . 5.2 tt -82.14 -52.01 7.41 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.062 0.945 . . . . 0.0 111.05 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.34 -47.25 83.94 Favored Glycine 0 N--CA 1.481 1.679 0 O-C-N 123.683 0.614 . . . . 0.0 112.212 177.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.36 -37.57 94.29 Favored Glycine 0 CA--C 1.539 1.549 0 CA-C-N 114.715 -0.743 . . . . 0.0 112.879 172.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.603 ' O ' HG12 ' A' ' 27' ' ' VAL . 1.9 t60 -72.2 -35.18 68.87 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -174.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.484 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -61.01 -42.97 99.47 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.071 1.748 . . . . 0.0 112.076 171.447 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -65.58 -36.15 82.91 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.361 0.664 . . . . 0.0 112.695 176.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.603 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.5 OUTLIER -66.56 -12.21 14.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 175.685 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.484 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 14.3 m-70 -57.87 146.21 32.7 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 176.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -173.21 93.5 0.1 Allowed 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.243 1.017 . . . . 0.0 112.47 176.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.53 144.43 50.42 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 114.81 -1.086 . . . . 0.0 112.853 174.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.42 174.25 7.38 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 113.297 -1.774 . . . . 0.0 109.934 169.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 47.12 -154.41 0.06 Allowed 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.157 1.383 . . . . 0.0 111.788 -177.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 57.57 134.69 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 126.541 1.937 . . . . 0.0 115.463 176.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -143.89 90.35 2.12 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 114.338 -1.301 . . . . 0.0 111.556 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.7 mp 64.86 143.33 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 112.615 -2.084 . . . . 0.0 112.7 -176.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -87.56 105.63 17.46 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 178.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -151.23 88.94 1.47 Allowed 'General case' 0 C--O 1.27 2.139 0 CA-C-N 113.653 -1.612 . . . . 0.0 114.434 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.445 1 CA-C-N 26.804 -41.089 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.634 ' O ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.232 0.144 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.525 ' CG ' ' O ' ' A' ' 1' ' ' TRP . 4.0 p-90 -40.15 95.93 0.1 Allowed Pre-proline 0 C--N 1.323 -0.573 0 O-C-N 124.515 1.135 . . . . 0.0 107.996 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.634 ' HD3' ' O ' ' A' ' 0' ' ' ACE . 74.3 Cg_endo -66.45 147.58 82.71 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 123.318 2.679 . . . . 0.0 112.062 177.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -76.34 72.06 5.59 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.012 2.474 . . . . 0.0 111.94 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -143.61 -176.64 5.04 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.685 1.594 . . . . 0.0 110.863 -178.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.5 p -60.87 147.58 42.47 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 122.146 0.975 . . . . 0.0 112.643 173.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.514 ' HB3' HD22 ' A' ' 21' ' ' LEU . 2.6 m-85 -132.69 156.65 46.61 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 113.346 -1.752 . . . . 0.0 114.016 -178.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.505 HG22 ' H ' ' A' ' 9' ' ' SER . 3.0 m -108.69 156.01 20.07 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.313 1.445 . . . . 0.0 109.77 -177.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.34 -8.26 23.57 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -178.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.505 ' H ' HG22 ' A' ' 7' ' ' THR . 21.4 p 72.92 -52.05 0.71 Allowed 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 129.608 3.163 . . . . 0.0 112.546 -170.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.422 ' HB3' ' CD2' ' A' ' 28' ' ' HIS . 0.3 OUTLIER -68.41 -45.09 73.59 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.7 p -95.7 3.47 53.87 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 172.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt 34.38 23.84 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 117.999 2.592 . . . . 0.0 117.999 -172.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.5 mtp85 -97.04 129.97 44.41 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.478 1.111 . . . . 0.0 110.437 -177.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -70.43 123.61 22.17 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 110.552 -3.022 . . . . 0.0 111.796 173.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.691 ' HB2' HD11 ' A' ' 21' ' ' LEU . 69.9 m-85 -121.27 166.7 13.64 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 113.325 -1.761 . . . . 0.0 110.245 176.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -107.28 31.62 5.25 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 -177.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.0 m -140.27 178.37 7.34 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.999 -171.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.49 -66.41 1.01 Allowed 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.325 171.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -59.46 -39.99 85.45 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.06 -37.6 66.96 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 117.676 -1.154 . . . . 0.0 112.713 172.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.691 HD11 ' HB2' ' A' ' 15' ' ' PHE . 6.4 mp -74.41 -43.65 55.41 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 176.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.16 -51.16 42.85 Favored Glycine 0 N--CA 1.481 1.664 0 O-C-N 124.454 1.097 . . . . 0.0 110.835 173.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.73 -39.46 97.51 Favored Glycine 0 CA--C 1.539 1.57 0 CA-C-N 113.673 -1.263 . . . . 0.0 113.256 173.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.603 ' O ' HG12 ' A' ' 27' ' ' VAL . 1.8 t60 -73.05 -33.53 65.73 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -172.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.531 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 1.4 tmm? -63.95 -41.51 97.56 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.588 1.555 . . . . 0.0 112.137 172.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -65.01 -33.63 76.51 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 174.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.603 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.5 OUTLIER -69.41 -9.01 11.54 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.972 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 174.622 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.531 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 11.4 m-70 -62.91 176.94 0.62 Allowed 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.4 ttp85 67.42 98.16 0.05 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.503 1.521 . . . . 0.0 110.831 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.2 mtt180 56.8 85.55 0.08 Allowed 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 113.095 -1.866 . . . . 0.0 114.109 -175.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -48.38 -47.6 37.34 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 113.139 -1.846 . . . . 0.0 114.963 -178.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 57.02 -77.92 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.839 1.655 . . . . 0.0 114.439 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -131.91 74.49 1.59 Allowed 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 122.81 1.29 . . . . 0.0 109.194 172.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.95 82.15 8.24 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 114.653 -1.158 . . . . 0.0 108.539 -177.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 66.01 106.67 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 112.081 -2.327 . . . . 0.0 112.513 -175.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -118.44 139.61 51.14 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 113.507 -1.679 . . . . 0.0 108.963 -177.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 mt 56.07 25.38 8.86 Favored 'General case' 0 C--O 1.27 2.159 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 176.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.438 1 CA-C-N 92.015 -11.448 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.075 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 178.6 133.95 0.23 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.617 1.198 . . . . 0.0 107.906 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -63.65 152.43 80.43 Favored 'Trans proline' 0 N--CA 1.483 0.886 0 C-N-CA 123.318 2.679 . . . . 0.0 110.682 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -72.55 -160.38 0.09 OUTLIER 'Trans proline' 0 CA--C 1.543 0.942 0 C-N-CA 122.091 1.861 . . . . 0.0 112.523 176.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 66.31 -151.12 0.22 Allowed 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 126.547 1.939 . . . . 0.0 111.044 177.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 p -67.25 144.32 56.0 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.84 0.856 . . . . 0.0 112.347 175.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -118.26 150.75 38.93 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 113.855 1.058 . . . . 0.0 113.855 -176.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.8 p -75.77 160.86 29.56 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 114.386 -1.279 . . . . 0.0 111.194 178.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.8 -4.64 24.63 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.5 p 70.28 -55.02 0.62 Allowed 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 128.697 2.799 . . . . 0.0 112.829 -169.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.29 -38.14 90.0 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 179.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.9 p -117.11 12.06 14.38 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 173.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.8 pttt 32.99 25.43 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 116.019 1.859 . . . . 0.0 116.019 -169.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -92.17 126.85 37.42 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.961 0.886 . . . . 0.0 110.67 -169.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -71.33 111.64 6.82 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 111.547 -2.57 . . . . 0.0 112.773 -176.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -109.72 131.85 54.68 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 113.561 -1.654 . . . . 0.0 112.52 176.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -83.61 39.43 0.68 Allowed 'General case' 0 N--CA 1.484 1.238 0 CA-C-N 114.172 -1.376 . . . . 0.0 112.458 170.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.444 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 75.1 m -136.75 137.98 40.46 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 114.588 -1.187 . . . . 0.0 111.095 -170.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.61 -78.55 0.16 Allowed 'General case' 0 N--CA 1.48 1.049 0 O-C-N 124.444 1.09 . . . . 0.0 110.498 169.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.42 -46.02 91.87 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 114.781 1.401 . . . . 0.0 114.781 178.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.444 ' HB3' ' HB3' ' A' ' 17' ' ' SER . . . -68.0 -0.14 4.12 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 176.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.6 tt -100.35 -54.21 2.92 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.629 0.772 . . . . 0.0 109.778 166.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.84 -48.18 67.96 Favored Glycine 0 N--CA 1.484 1.873 0 O-C-N 123.661 0.601 . . . . 0.0 112.644 177.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.67 -37.63 95.02 Favored Glycine 0 CA--C 1.537 1.443 0 CA-C-N 114.203 -0.999 . . . . 0.0 112.474 172.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.598 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.2 t60 -70.11 -35.18 73.95 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -178.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.486 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -61.84 -44.32 97.07 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.183 1.793 . . . . 0.0 111.828 171.872 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -65.78 -32.11 73.47 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 175.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.598 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.8 OUTLIER -68.18 -11.29 14.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 174.064 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.486 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 14.3 m-70 -61.16 120.62 10.68 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 177.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -172.53 52.14 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 177.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 52.17 80.76 0.09 Allowed 'General case' 0 N--CA 1.485 1.288 0 CA-C-O 122.633 1.206 . . . . 0.0 111.331 -174.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -75.43 -58.94 2.98 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.172 -178.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.8 -31.56 6.69 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 173.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -152.64 152.34 31.66 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.249 1.42 . . . . 0.0 110.273 177.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.98 105.7 6.12 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 114.052 -1.431 . . . . 0.0 109.515 176.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.0 mt 63.66 119.13 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.294 0 O-C-N 124.982 1.426 . . . . 0.0 113.092 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.27 94.72 1.0 Allowed 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.09 -175.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.25 43.37 0.08 Allowed 'General case' 0 C--O 1.27 2.141 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 176.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.431 1 CA-C-N 34.015 -37.812 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.035 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 11.0 m0 66.34 142.91 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 108.003 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.28 150.63 71.34 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 123.511 2.807 . . . . 0.0 112.917 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -65.89 -9.0 21.46 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 123.387 2.725 . . . . 0.0 115.498 175.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -58.29 -179.71 0.06 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.574 1.15 . . . . 0.0 111.403 176.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.78 130.61 33.36 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.758 0.823 . . . . 0.0 113.042 -176.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -111.56 154.83 24.25 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 114.038 -1.437 . . . . 0.0 113.06 -176.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.656 HG22 ' H ' ' A' ' 9' ' ' SER . 7.0 m -96.22 154.74 17.09 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.575 1.55 . . . . 0.0 109.991 -175.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.95 -13.81 16.76 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -178.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.656 ' H ' HG22 ' A' ' 7' ' ' THR . 20.9 p 74.03 -52.97 0.69 Allowed 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 129.419 3.087 . . . . 0.0 112.594 -171.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.24 -36.06 80.86 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 177.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.3 p -117.9 14.04 14.13 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 172.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 29.38 23.86 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 118.493 2.775 . . . . 0.0 118.493 -169.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.468 ' O ' ' HA ' ' A' ' 7' ' ' THR . 7.6 mtp-105 -85.13 140.76 30.7 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.846 1.258 . . . . 0.0 111.626 -178.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -88.61 115.84 26.43 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 111.346 -2.661 . . . . 0.0 110.957 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.851 ' HB2' HD12 ' A' ' 21' ' ' LEU . 47.6 m-85 -110.3 132.87 53.79 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 112.988 -1.915 . . . . 0.0 109.975 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.18 48.88 1.64 Allowed 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 113.271 -1.786 . . . . 0.0 109.191 174.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.418 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 30.4 m -156.2 158.74 38.12 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 114.335 -1.302 . . . . 0.0 112.46 -169.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.91 -69.41 0.86 Allowed 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 114.103 -1.408 . . . . 0.0 111.498 177.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -58.51 -52.75 64.33 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.915 0.886 . . . . 0.0 111.758 177.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.418 ' HB3' ' HB3' ' A' ' 17' ' ' SER . . . -54.16 -30.88 50.9 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 174.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.851 HD12 ' HB2' ' A' ' 15' ' ' PHE . 5.9 tt -81.14 -51.03 8.89 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.991 0.917 . . . . 0.0 112.046 177.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.53 -46.28 58.72 Favored Glycine 0 N--CA 1.483 1.796 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 176.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.05 -37.64 95.27 Favored Glycine 0 CA--C 1.539 1.57 0 CA-C-N 113.927 -1.137 . . . . 0.0 112.834 170.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.646 ' O ' HG12 ' A' ' 27' ' ' VAL . 1.7 t60 -72.05 -35.62 69.37 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -171.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.465 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -61.33 -43.92 98.06 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 126.16 1.784 . . . . 0.0 111.747 172.657 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -65.34 -34.46 78.39 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 176.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.646 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -62.63 -16.4 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 175.077 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.465 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 17.3 m-70 -59.52 -63.8 1.17 Allowed 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 178.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.76 71.35 0.32 Allowed 'General case' 0 N--CA 1.48 1.066 0 CA-C-O 122.766 1.269 . . . . 0.0 113.334 176.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.2 mpp_? 46.46 74.78 0.14 Allowed 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 115.785 1.772 . . . . 0.0 115.785 -171.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.42 ' OD2' ' HA ' ' A' ' 28' ' ' HIS . 26.5 m-20 -81.13 -70.01 0.56 Allowed 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 113.531 -1.668 . . . . 0.0 115.104 177.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.4 ttt180 54.34 80.94 0.11 Allowed 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 126.001 1.721 . . . . 0.0 112.555 -178.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 46.28 81.06 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 123.342 1.544 . . . . 0.0 114.201 -176.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.413 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -102.58 91.27 4.14 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 113.166 -1.834 . . . . 0.0 111.183 -174.525 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 46.5 45.26 13.81 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 113.75 -1.568 . . . . 0.0 114.55 -178.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -155.02 151.27 28.24 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 114.648 -1.16 . . . . 0.0 112.276 -168.159 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tt -120.95 94.23 4.28 Favored 'General case' 0 C--O 1.27 2.168 0 CA-C-O 116.964 -1.493 . . . . 0.0 112.345 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.448 1 CA-C-N 98.041 -8.709 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.042 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 5.8 m0 72.44 145.9 0.11 Allowed Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -68.03 158.77 55.93 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 124.226 3.284 . . . . 0.0 113.428 176.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.55 -38.57 14.12 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 123.474 2.782 . . . . 0.0 113.935 173.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.8 mtt180 -94.18 129.27 40.84 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 121.803 0.811 . . . . 0.0 113.075 176.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.4 p 57.99 151.28 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 111.598 -2.546 . . . . 0.0 111.998 -171.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.496 ' HB2' HD13 ' A' ' 21' ' ' LEU . 91.0 m-85 -126.44 148.33 49.67 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 114.355 -1.293 . . . . 0.0 112.48 175.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.661 HG22 ' H ' ' A' ' 9' ' ' SER . 92.4 m -90.49 151.51 21.34 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 113.644 -1.616 . . . . 0.0 109.955 177.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.77 -15.22 18.53 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -177.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.661 ' H ' HG22 ' A' ' 7' ' ' THR 0.27 16.4 p 77.29 -56.03 0.53 Allowed 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 128.623 2.769 . . . . 0.0 111.905 -172.335 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.406 ' HB2' ' CD2' ' A' ' 28' ' ' HIS . 10.4 m-85 -59.88 -39.73 86.27 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 175.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.414 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 26.3 p -106.98 6.69 29.36 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 118.442 -1.303 . . . . 0.0 108.311 176.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.436 ' HA ' HG23 ' A' ' 7' ' ' THR . 0.0 OUTLIER 33.01 23.34 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 117.626 2.454 . . . . 0.0 117.626 -169.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.414 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 8.3 mtp85 -98.91 141.88 31.12 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 114.337 -1.301 . . . . 0.0 110.974 -175.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -91.94 117.08 29.47 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 111.455 -2.612 . . . . 0.0 110.744 -176.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.94 ' HB2' HD12 ' A' ' 21' ' ' LEU . 3.5 m-85 -106.4 134.77 49.02 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 113.967 -1.469 . . . . 0.0 111.056 177.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.614 ' H ' ' HD3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -81.02 40.14 0.53 Allowed 'General case' 0 N--CA 1.482 1.137 0 CA-C-O 123.786 1.755 . . . . 0.0 112.002 170.373 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.504 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 41.6 m -139.28 158.92 43.32 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 113.701 -1.59 . . . . 0.0 111.631 -171.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -114.66 -73.47 0.65 Allowed 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 114.405 -1.271 . . . . 0.0 111.216 174.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.96 -41.68 98.27 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.504 ' HB3' ' HB3' ' A' ' 17' ' ' SER . . . -58.42 -36.05 73.0 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 118.368 -0.825 . . . . 0.0 113.027 173.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.94 HD12 ' HB2' ' A' ' 15' ' ' PHE . 6.0 tt -75.2 -48.57 22.87 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.523 0.729 . . . . 0.0 112.227 179.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.97 -48.44 58.03 Favored Glycine 0 N--CA 1.483 1.823 0 O-C-N 124.034 0.834 . . . . 0.0 111.487 174.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.34 -35.68 91.99 Favored Glycine 0 CA--C 1.539 1.567 0 CA-C-N 113.844 -1.178 . . . . 0.0 113.28 171.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.635 ' O ' HG12 ' A' ' 27' ' ' VAL . 1.8 t60 -72.39 -35.95 68.56 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -172.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.491 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 9.9 ttt -62.49 -42.61 99.61 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.981 1.313 . . . . 0.0 111.843 172.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -63.22 -36.07 82.44 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 174.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.635 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.4 OUTLIER -65.53 -15.32 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 176.034 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.491 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 8.9 m-70 -59.72 -76.21 0.05 OUTLIER 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.048 0.539 . . . . 0.0 109.583 178.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -173.55 129.09 0.43 Allowed 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 176.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.5 ttt180 65.59 147.81 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.862 0 O-C-N 126.376 2.298 . . . . 0.0 112.517 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -104.82 93.48 4.76 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 113.366 -1.743 . . . . 0.0 111.283 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 64.8 mtm180 -59.51 147.53 36.45 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 114.442 -1.254 . . . . 0.0 111.731 175.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.4 133.2 40.45 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 114.776 -1.102 . . . . 0.0 112.238 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -111.9 118.43 35.48 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 114.262 -1.336 . . . . 0.0 109.245 -177.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 60.26 85.86 0.1 Allowed 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 113.273 -1.785 . . . . 0.0 113.157 -176.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -119.66 157.62 28.11 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 113.518 -1.674 . . . . 0.0 111.762 -179.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 mp -97.52 79.02 2.7 Favored 'General case' 0 C--O 1.27 2.167 0 CA-C-O 117.022 -1.466 . . . . 0.0 113.912 174.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.425 1 CA-C-N 64.985 -23.734 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.011 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 16.9 t-105 -143.36 60.54 8.92 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 108.025 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -73.81 150.46 44.43 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 122.118 1.879 . . . . 0.0 111.383 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -71.07 44.34 0.53 Allowed 'Trans proline' 0 CA--C 1.547 1.164 0 C-N-CA 123.45 2.767 . . . . 0.0 116.082 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -164.06 28.03 0.08 Allowed 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.604 1.562 . . . . 0.0 113.873 177.033 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.588 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 96.2 p -166.95 135.68 2.75 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.787 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -144.08 165.27 28.26 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 124.932 1.395 . . . . 0.0 111.357 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.585 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 74.8 p -98.32 161.7 13.56 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 125.085 1.354 . . . . 0.0 111.366 177.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.33 -6.52 34.09 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -175.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.2 p 68.95 -54.5 0.56 Allowed 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 128.786 2.834 . . . . 0.0 112.934 -168.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.38 -36.81 84.94 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 178.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.2 p -116.77 8.54 13.7 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 173.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.7 pttt 36.17 16.67 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 117.21 2.3 . . . . 0.0 117.21 -170.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.585 ' O ' ' HA ' ' A' ' 7' ' ' THR . 2.4 tpp180 -77.19 136.82 38.59 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.22 1.008 . . . . 0.0 110.172 -173.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -75.79 121.54 22.74 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 113.415 -1.72 . . . . 0.0 112.272 173.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.738 ' HB2' HD12 ' A' ' 21' ' ' LEU . 75.3 m-85 -115.61 160.69 19.68 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-N 112.901 -1.954 . . . . 0.0 109.965 175.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.4 mtt85 -115.23 35.59 4.29 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 114.891 -1.05 . . . . 0.0 113.498 -177.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.525 ' OG ' ' HB3' ' A' ' 20' ' ' ALA . 16.9 p -169.23 139.58 2.23 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 115.179 -0.919 . . . . 0.0 113.368 -176.004 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.11 -55.65 15.39 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 113.91 -1.495 . . . . 0.0 114.047 -179.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -68.87 -46.98 67.04 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 -178.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.525 ' HB3' ' OG ' ' A' ' 17' ' ' SER . . . -66.7 -4.19 8.36 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 174.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.738 HD12 ' HB2' ' A' ' 15' ' ' PHE . 3.7 tt -99.31 -51.51 3.78 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 118.613 -0.708 . . . . 0.0 111.867 166.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.95 -47.48 72.31 Favored Glycine 0 N--CA 1.484 1.869 0 O-C-N 123.424 0.453 . . . . 0.0 112.258 176.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.81 -39.31 96.5 Favored Glycine 0 CA--C 1.536 1.381 0 CA-C-N 113.988 -1.106 . . . . 0.0 112.551 172.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.614 ' O ' HG12 ' A' ' 27' ' ' VAL . 3.2 t60 -70.69 -34.28 71.81 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 117.382 0.591 . . . . 0.0 109.595 -177.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.478 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 0.6 OUTLIER -63.95 -44.78 91.79 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.098 0.959 . . . . 0.0 111.918 172.047 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -63.86 -33.13 75.0 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 176.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.614 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -67.19 -11.65 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 173.521 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.478 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 15.7 m-70 -62.11 176.91 0.52 Allowed 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 175.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 56.59 68.14 0.9 Allowed 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -175.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -163.13 112.94 1.35 Allowed 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 113.856 -1.52 . . . . 0.0 109.461 177.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.18 90.31 2.93 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 115.086 -0.961 . . . . 0.0 111.337 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.56 90.38 0.2 Allowed 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 114.036 -1.438 . . . . 0.0 111.772 -179.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -169.43 142.3 2.61 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.068 1.347 . . . . 0.0 110.181 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -165.83 85.28 0.34 Allowed 'General case' 0 N--CA 1.481 1.109 0 O-C-N 124.616 1.198 . . . . 0.0 108.624 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 35.0 mt 55.19 -175.6 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 114.274 -1.33 . . . . 0.0 112.948 -177.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -111.86 91.45 3.66 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 121.663 0.744 . . . . 0.0 110.296 175.291 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.1 mp 65.85 94.77 0.06 Allowed 'General case' 0 C--O 1.27 2.153 0 N-CA-C 115.783 1.771 . . . . 0.0 115.783 -177.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.435 1 CA-C-N 25.99 -41.459 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.161 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 61.6 t-105 63.21 75.72 0.39 Allowed Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.468 1.105 . . . . 0.0 108.019 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -75.03 149.85 37.16 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 123.519 2.813 . . . . 0.0 112.037 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -71.03 -39.94 3.73 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.968 2.446 . . . . 0.0 114.038 175.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 36.8 mtp85 -98.73 132.23 44.27 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.215 1.006 . . . . 0.0 109.423 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.528 ' HB2' ' HB2' ' A' ' 14' ' ' GLU . 4.8 p 60.77 128.75 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 126.769 2.028 . . . . 0.0 112.732 -170.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -125.22 145.63 49.89 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 113.501 -1.682 . . . . 0.0 112.769 177.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.666 HG22 ' H ' ' A' ' 9' ' ' SER . 90.4 m -88.16 153.66 21.07 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 113.362 -1.745 . . . . 0.0 110.603 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.98 -14.89 17.68 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 -177.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.666 ' H ' HG22 ' A' ' 7' ' ' THR . 22.7 p 75.97 -53.22 0.62 Allowed 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 129.753 3.221 . . . . 0.0 111.976 -172.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.41 -35.55 80.78 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 113.936 -1.483 . . . . 0.0 114.857 177.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.423 ' SG ' ' HB3' ' A' ' 13' ' ' ARG . 31.3 p -114.21 10.65 17.32 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 173.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.496 ' HA ' HG23 ' A' ' 7' ' ' THR . 10.5 pttp 32.67 18.45 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 118.339 2.718 . . . . 0.0 118.339 -169.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.469 ' O ' ' HA ' ' A' ' 7' ' ' THR . 31.4 ttm-85 -91.89 140.22 29.89 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.4 1.08 . . . . 0.0 109.976 -172.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.528 ' HB2' ' HB2' ' A' ' 5' ' ' SER . 1.1 pm0 -86.51 119.34 26.66 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 111.41 -2.632 . . . . 0.0 112.048 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.807 ' HB2' HD12 ' A' ' 21' ' ' LEU . 83.2 m-85 -113.73 131.28 56.24 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 113.24 -1.8 . . . . 0.0 110.73 177.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -75.43 31.69 0.1 Allowed 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 114.626 -1.17 . . . . 0.0 112.893 169.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.43 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 19.9 m -133.97 158.52 43.3 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.391 1.076 . . . . 0.0 112.069 -169.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.42 -67.92 0.96 Allowed 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 114.084 -1.416 . . . . 0.0 111.345 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -58.32 -52.55 65.12 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.833 0.853 . . . . 0.0 111.632 177.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.43 ' HB3' ' HB3' ' A' ' 17' ' ' SER . . . -55.48 -31.57 62.11 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 175.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.807 HD12 ' HB2' ' A' ' 15' ' ' PHE . 5.8 tt -80.28 -50.61 9.97 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.83 0.852 . . . . 0.0 112.047 179.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.1 -46.73 69.45 Favored Glycine 0 N--CA 1.484 1.852 0 O-C-N 123.886 0.741 . . . . 0.0 111.508 176.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.51 -37.62 94.99 Favored Glycine 0 CA--C 1.54 1.637 0 CA-C-N 113.922 -1.139 . . . . 0.0 112.74 171.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.65 ' O ' HG12 ' A' ' 27' ' ' VAL . 1.6 t60 -72.1 -36.62 69.52 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -172.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.431 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -59.45 -43.54 93.15 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.414 1.885 . . . . 0.0 111.264 172.301 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -65.91 -37.2 85.46 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 177.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.65 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -61.4 -17.23 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 114.236 1.199 . . . . 0.0 114.236 175.8 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.431 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 14.8 m-70 -59.17 -62.54 1.81 Allowed 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 177.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.4 mtt85 52.06 120.58 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 116.431 2.011 . . . . 0.0 116.431 -171.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.8 mtm180 -74.43 71.06 1.78 Allowed 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 122.484 1.135 . . . . 0.0 113.414 172.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.5 p30 -135.54 21.83 3.38 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 113.238 -1.801 . . . . 0.0 114.7 176.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -135.31 136.33 41.5 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 107.294 -1.372 . . . . 0.0 107.294 177.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.22 144.84 44.89 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.642 171.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.444 ' HD3' ' H ' ' A' ' 34' ' ' ARG . 1.6 mpp_? -46.32 -48.9 18.18 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 -174.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 42.9 mt 45.06 68.34 0.58 Allowed 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.678 1.591 . . . . 0.0 113.105 174.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.99 144.55 56.14 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 114.512 -1.222 . . . . 0.0 111.173 -175.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 1.085 ' CG ' ' N ' ' A' ' 38' ' ' NH2 . 0.4 OUTLIER -109.75 -96.38 0.4 Allowed 'General case' 0 C--O 1.27 2.171 0 CA-C-N 113.646 -1.616 . . . . 0.0 113.868 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . 1.085 ' N ' ' CG ' ' A' ' 37' ' ' LEU . . . . . . . . 0 C--N 1.302 -1.464 1 CA-C-N 78.841 -17.436 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.526 ' O ' ' CG ' ' A' ' 1' ' ' TRP . . . . . . . . 0 C--O 1.231 0.1 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.526 ' CG ' ' O ' ' A' ' 0' ' ' ACE . 1.4 m0 163.05 139.24 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.443 ' HG2' ' HB2' ' A' ' 5' ' ' SER . 53.5 Cg_endo -68.84 151.98 73.92 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 123.389 2.726 . . . . 0.0 113.656 177.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -63.8 -59.29 0.21 Allowed 'Trans proline' 0 N--CA 1.478 0.605 0 C-N-CA 123.366 2.711 . . . . 0.0 114.793 -179.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.79 33.68 2.25 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 -178.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.515 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 17.3 m -157.45 141.44 16.05 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.18 -175.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.481 ' O ' ' HA ' ' A' ' 14' ' ' GLU . 79.4 m-85 -141.63 172.97 11.96 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.371 1.068 . . . . 0.0 112.748 -179.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.595 HG22 ' H ' ' A' ' 9' ' ' SER . 8.1 m -104.72 154.34 20.12 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 125.95 1.7 . . . . 0.0 109.863 -176.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.23 -14.47 18.46 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -176.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.595 ' H ' HG22 ' A' ' 7' ' ' THR . 20.0 p 75.52 -53.03 0.65 Allowed 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 129.441 3.097 . . . . 0.0 112.337 -172.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.39 -31.9 73.29 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 177.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.0 p -115.26 9.36 15.71 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 173.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 pttp 31.34 25.42 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 117.519 2.414 . . . . 0.0 117.519 -171.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 ttm-85 -105.07 140.13 38.71 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.976 0.894 . . . . 0.0 110.329 -172.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.481 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -80.07 123.89 28.26 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 112.924 -1.944 . . . . 0.0 112.821 178.258 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.515 ' O ' ' HA ' ' A' ' 5' ' ' SER . 8.1 m-85 -114.02 154.11 28.23 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 113.035 -1.893 . . . . 0.0 111.648 176.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -109.27 46.15 1.01 Allowed 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 114.713 -1.13 . . . . 0.0 113.907 -174.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.629 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 21.1 p -174.42 140.81 0.66 Allowed 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 115.17 -0.923 . . . . 0.0 113.083 -177.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.87 -55.81 11.48 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 114.789 -1.096 . . . . 0.0 112.954 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -48.07 64.0 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.516 ' HB3' ' OG ' ' A' ' 17' ' ' SER . . . -71.71 4.44 3.22 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 174.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.629 ' HB2' ' O ' ' A' ' 17' ' ' SER . 0.4 OUTLIER -101.86 -53.14 3.02 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.885 0.874 . . . . 0.0 111.421 163.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.19 -46.93 84.69 Favored Glycine 0 N--CA 1.483 1.794 0 O-C-N 123.512 0.508 . . . . 0.0 112.546 176.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.15 -38.88 95.78 Favored Glycine 0 CA--C 1.537 1.416 0 CA-C-N 114.233 -0.983 . . . . 0.0 112.454 172.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.612 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.3 t60 -69.76 -36.34 75.69 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 117.479 0.64 . . . . 0.0 109.622 -177.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.457 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -59.67 -45.35 92.33 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.597 1.959 . . . . 0.0 111.381 172.345 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -66.05 -31.19 71.93 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 176.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.612 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.5 OUTLIER -69.84 -8.48 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 173.44 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.457 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 10.6 m-70 -65.71 -178.68 0.58 Allowed 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 176.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 32.1 ptt180 178.11 136.28 0.08 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 126.129 1.772 . . . . 0.0 107.802 177.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -59.66 131.93 52.43 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.413 167.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -158.34 134.67 9.38 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 114.141 -1.39 . . . . 0.0 107.905 -178.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.99 -159.32 0.07 Allowed 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 125.983 1.713 . . . . 0.0 112.889 -174.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.64 -79.98 0.05 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.643 0.777 . . . . 0.0 111.099 169.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -168.71 88.49 0.21 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.306 1.442 . . . . 0.0 109.462 173.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . 0.314 1.6 pp 42.24 -145.01 0.06 Allowed 'General case' 0 N--CA 1.484 1.245 0 CA-C-O 117.06 -1.448 . . . . 0.0 113.171 -178.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 46.83 90.3 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 172.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 mp 60.71 35.15 19.78 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.606 1.162 . . . . 0.0 113.937 -167.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.032 1 CA-C-N 83.978 -15.101 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.645 ' O ' ' CG ' ' A' ' 1' ' ' TRP . . . . . . . . 0 C--O 1.23 0.062 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.645 ' CG ' ' O ' ' A' ' 0' ' ' ACE . 0.8 OUTLIER 61.32 132.26 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -70.62 155.32 63.33 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 123.769 2.979 . . . . 0.0 112.58 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -62.3 -18.11 60.84 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.26 2.64 . . . . 0.0 114.681 174.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 26.0 ptt180 -108.35 116.46 32.0 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.436 1.494 . . . . 0.0 109.32 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.2 m 63.1 154.59 0.05 OUTLIER 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -117.16 131.9 56.78 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 176.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.489 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 41.5 p -71.0 159.97 33.78 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 113.533 -1.667 . . . . 0.0 110.805 174.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -104.34 -5.3 21.89 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -177.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.0 p 69.84 -54.73 0.6 Allowed 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 128.655 2.782 . . . . 0.0 112.491 -169.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.07 -38.92 84.28 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.506 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 4.4 p -119.29 12.54 12.57 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 174.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 28.13 29.12 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 117.235 2.309 . . . . 0.0 117.235 -168.079 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.506 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -80.86 120.75 25.1 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.842 1.657 . . . . 0.0 110.791 -177.453 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -74.34 111.73 9.8 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 112.819 -1.991 . . . . 0.0 111.634 177.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.582 ' CG ' HD23 ' A' ' 21' ' ' LEU . 7.4 m-85 -110.34 132.1 54.48 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 114.592 -1.185 . . . . 0.0 113.547 176.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -77.86 47.36 0.63 Allowed 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 123.566 1.65 . . . . 0.0 112.047 169.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.2 m -153.03 158.36 41.87 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 113.727 -1.579 . . . . 0.0 111.803 -171.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -114.71 -71.76 0.73 Allowed 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 113.748 -1.569 . . . . 0.0 110.879 174.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -63.88 -42.58 97.45 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 -178.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.76 -40.33 79.5 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 173.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.582 HD23 ' CG ' ' A' ' 15' ' ' PHE . 3.1 tm? -72.0 -42.84 65.96 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.767 0.827 . . . . 0.0 112.241 176.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.63 -48.92 68.07 Favored Glycine 0 N--CA 1.482 1.736 0 C-N-CA 123.606 0.622 . . . . 0.0 112.474 174.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.59 -37.65 94.54 Favored Glycine 0 CA--C 1.54 1.596 0 CA-C-N 114.917 -0.642 . . . . 0.0 112.984 172.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.6 ' O ' HG12 ' A' ' 27' ' ' VAL . 3.3 t60 -71.93 -35.69 69.72 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.094 0.558 . . . . 0.0 109.615 -174.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.469 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -61.77 -45.16 95.1 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.173 1.789 . . . . 0.0 111.656 171.678 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -63.31 -39.17 93.81 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 176.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.6 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.5 OUTLIER -63.76 -7.97 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 176.466 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.469 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 12.6 m-70 -62.65 -21.56 65.79 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 175.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.6 mmt-85 60.1 56.04 3.49 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.598 -1.314 . . . . 0.0 113.978 173.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -171.46 158.55 5.26 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.572 -174.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 76.42 -136.06 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 126.957 2.103 . . . . 0.0 109.466 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -54.15 143.34 22.88 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.676 1.59 . . . . 0.0 111.922 172.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 59.83 109.23 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 125.642 1.577 . . . . 0.0 113.47 -175.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -64.5 -72.54 0.14 Allowed 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 114.265 -1.334 . . . . 0.0 112.667 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.4 mt 46.34 65.53 1.17 Allowed 'General case' 0 N--CA 1.483 1.208 0 CA-C-O 123.101 1.429 . . . . 0.0 114.555 178.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -135.51 162.15 33.46 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 113.227 -1.806 . . . . 0.0 110.043 -175.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.22 65.89 0.0 OUTLIER 'General case' 0 C--O 1.253 1.26 0 N-CA-C 115.394 1.628 . . . . 0.0 115.394 176.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.051 1 CA-C-N 27.931 -40.577 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.406 ' HA ' ' CE3' ' A' ' 1' ' ' TRP . 10.5 m95 -117.36 79.18 11.4 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.532 1.145 . . . . 0.0 108.1 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.498 ' HG2' ' CE2' ' A' ' 6' ' ' TYR . 62.2 Cg_endo -69.13 152.85 72.55 Favored 'Trans proline' 0 CA--C 1.544 0.991 0 C-N-CA 122.759 2.306 . . . . 0.0 112.133 179.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -69.01 -173.44 0.61 Allowed 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 122.669 2.246 . . . . 0.0 111.983 176.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.2 mtm180 64.74 164.14 0.14 Allowed 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 125.234 1.414 . . . . 0.0 113.532 -173.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 49.5 m -63.45 136.24 57.47 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 114.312 -1.313 . . . . 0.0 112.467 176.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.498 ' CE2' ' HG2' ' A' ' 2' ' ' PRO . 67.9 m-85 -133.53 154.31 50.94 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 114.521 -1.218 . . . . 0.0 114.149 175.004 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.402 ' HB ' ' HA ' ' A' ' 12' ' ' LYS . 79.4 p -78.74 162.97 25.78 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 114.224 -1.353 . . . . 0.0 110.832 176.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.44 -4.15 29.5 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -178.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.265 17.1 p 67.81 -58.91 0.43 Allowed 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 127.434 2.294 . . . . 0.0 112.788 -167.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.448 ' HB2' ' CD2' ' A' ' 28' ' ' HIS . 17.6 m-85 -58.95 -42.47 89.9 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.868 1.432 . . . . 0.0 114.868 176.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.5 p -116.02 12.66 15.71 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.402 ' HA ' ' HB ' ' A' ' 7' ' ' THR . 0.0 OUTLIER 28.63 26.94 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 118.131 2.641 . . . . 0.0 118.131 -169.56 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.4 ' O ' ' HA ' ' A' ' 7' ' ' THR . 21.5 ttm-85 -83.42 131.65 35.02 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 121.985 0.898 . . . . 0.0 110.028 -176.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -72.26 110.91 7.03 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 112.031 -2.349 . . . . 0.0 112.641 175.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.405 ' O ' ' HA ' ' A' ' 5' ' ' SER . 18.7 m-85 -105.18 131.77 52.24 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 112.718 -2.037 . . . . 0.0 111.013 173.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.03 24.78 0.89 Allowed 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 113.118 -1.856 . . . . 0.0 113.217 176.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.489 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 34.7 p -160.5 133.6 6.62 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-O 122.566 1.174 . . . . 0.0 113.792 -167.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.0 -66.97 0.46 Allowed 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 112.568 -2.105 . . . . 0.0 114.105 -178.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -64.17 -42.06 96.86 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 114.225 1.195 . . . . 0.0 114.225 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.481 ' HB3' ' OG ' ' A' ' 17' ' ' SER . . . -68.89 -6.42 27.14 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 174.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.489 ' HB2' ' O ' ' A' ' 17' ' ' SER . 2.7 tt -94.52 -52.87 4.12 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 118.61 -0.709 . . . . 0.0 110.642 166.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.32 -49.14 70.33 Favored Glycine 0 N--CA 1.485 1.938 0 O-C-N 123.436 0.46 . . . . 0.0 113.4 177.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.9 -39.31 97.88 Favored Glycine 0 CA--C 1.536 1.384 0 CA-C-N 114.191 -1.005 . . . . 0.0 111.84 173.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.628 ' O ' HG12 ' A' ' 27' ' ' VAL . 4.6 t60 -72.4 -37.13 68.76 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 -176.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.53 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -62.82 -42.4 99.71 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.864 1.666 . . . . 0.0 112.1 172.728 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -66.2 -34.25 77.59 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 175.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.628 HG12 ' O ' ' A' ' 24' ' ' HIS 0.251 0.5 OUTLIER -64.38 -15.09 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 172.632 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.53 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 10.3 m-70 -59.67 -34.47 72.89 Favored 'General case' 0 C--N 1.343 0.296 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.017 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -171.24 120.18 0.5 Allowed 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.81 78.02 0.29 Allowed 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 125.775 1.63 . . . . 0.0 113.922 176.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -84.46 -51.91 6.56 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 113.692 -1.594 . . . . 0.0 112.04 178.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 87.7 mtm-85 -121.68 138.7 54.23 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.694 0.798 . . . . 0.0 110.646 177.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -130.4 -60.74 0.99 Allowed 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 113.774 -1.557 . . . . 0.0 112.362 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.99 -70.37 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.453 1.501 . . . . 0.0 109.548 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.4 mt 60.5 173.6 0.1 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 125.105 1.362 . . . . 0.0 110.968 -176.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.2 mtm-85 -40.0 -44.14 1.68 Allowed 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 177.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -129.72 177.04 7.53 Favored 'General case' 0 C--O 1.255 1.371 0 CA-C-O 116.185 -1.864 . . . . 0.0 112.376 175.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.07 0 CA-C-N 108.86 -3.791 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.025 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -138.95 88.41 13.5 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.404 ' HG2' ' O ' ' A' ' 5' ' ' SER . 73.1 Cg_endo -70.25 150.23 64.93 Favored 'Trans proline' 0 CA--C 1.543 0.973 0 C-N-CA 123.773 2.982 . . . . 0.0 112.518 177.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -69.88 -86.43 0.0 OUTLIER 'Trans proline' 0 CA--C 1.544 0.985 0 C-N-CA 123.341 2.694 . . . . 0.0 113.556 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.1 mmt180 -98.65 56.45 1.11 Allowed 'General case' 0 N--CA 1.478 0.969 0 CA-C-O 122.28 1.038 . . . . 0.0 111.956 -178.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.404 ' O ' ' HG2' ' A' ' 2' ' ' PRO . 65.3 p -179.04 156.68 0.81 Allowed 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 114.157 -1.383 . . . . 0.0 111.853 -175.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.426 ' O ' ' HA ' ' A' ' 14' ' ' GLU . 99.6 m-85 -135.65 155.15 50.89 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 113.904 -1.498 . . . . 0.0 112.024 175.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.642 HG22 ' H ' ' A' ' 9' ' ' SER . 16.4 m -102.92 157.71 16.78 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.414 1.486 . . . . 0.0 109.687 -177.175 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.14 -10.8 18.53 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -176.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.642 ' H ' HG22 ' A' ' 7' ' ' THR . 18.2 p 74.09 -53.0 0.69 Allowed 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 129.438 3.095 . . . . 0.0 112.373 -171.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.34 -43.97 89.22 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 178.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.8 p -98.99 5.96 46.92 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 119.128 -1.029 . . . . 0.0 108.257 173.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 32.12 25.47 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 118.038 2.607 . . . . 0.0 118.038 -170.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.541 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -97.16 145.3 26.15 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 114.099 -1.409 . . . . 0.0 110.052 -177.051 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.426 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 4.4 mt-10 -100.18 125.79 46.37 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 113.066 -1.879 . . . . 0.0 110.851 -178.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.697 ' HB2' HD11 ' A' ' 21' ' ' LEU . 26.1 m-85 -124.02 160.51 27.49 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 112.689 -2.05 . . . . 0.0 111.146 -176.05 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.29 61.21 0.6 Allowed 'General case' 0 N--CA 1.489 1.486 0 CA-C-O 122.685 1.231 . . . . 0.0 113.69 -178.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.505 ' O ' HD13 ' A' ' 21' ' ' LEU . 58.5 m -159.36 164.14 34.98 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -178.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -118.35 7.18 11.92 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 115.621 1.711 . . . . 0.0 115.621 174.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -130.69 -51.79 1.06 Allowed 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.119 0.968 . . . . 0.0 112.63 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -47.09 -42.26 18.64 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 117.675 -1.155 . . . . 0.0 112.713 171.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.697 HD11 ' HB2' ' A' ' 15' ' ' PHE . 5.9 mp -65.4 -50.01 67.09 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 176.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.54 -49.39 65.21 Favored Glycine 0 N--CA 1.481 1.673 0 O-C-N 124.076 0.86 . . . . 0.0 111.274 178.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.23 -39.59 97.9 Favored Glycine 0 CA--C 1.538 1.522 0 CA-C-N 113.717 -1.242 . . . . 0.0 112.624 172.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.622 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.3 t60 -72.54 -35.19 67.99 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -173.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.55 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 14.3 ttp -66.09 -39.66 90.18 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.099 1.36 . . . . 0.0 112.372 173.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -62.96 -39.43 94.66 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.991 174.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.4 OUTLIER -63.66 -14.54 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 176.13 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.55 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 9.3 m-70 -60.26 -83.3 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 176.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? 172.01 91.58 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 126.781 2.033 . . . . 0.0 111.305 178.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -77.56 81.41 4.02 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-O 122.666 1.222 . . . . 0.0 112.182 170.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -100.03 92.96 5.5 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 113.898 -1.501 . . . . 0.0 110.27 176.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.58 142.1 28.3 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 113.768 -1.56 . . . . 0.0 111.195 176.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -110.76 178.33 4.39 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 112.932 -1.94 . . . . 0.0 109.202 178.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.81 -142.06 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.074 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.647 170.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 67.95 120.82 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 126.21 1.804 . . . . 0.0 111.761 -170.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 38' ' ' NH2 . 13.9 ttt-85 -114.67 -55.48 2.48 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 113.89 -1.505 . . . . 0.0 112.599 178.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 mt -63.53 88.91 0.04 OUTLIER 'General case' 0 C--O 1.27 2.171 0 CA-C-O 116.773 -1.584 . . . . 0.0 113.975 174.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . 0.414 ' N ' ' O ' ' A' ' 36' ' ' ARG . . . . . . . . 0 C--N 1.303 -1.434 1 CA-C-N 92.352 -11.295 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.046 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 7.8 m95 68.8 141.41 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.407 ' HD2' ' CZ ' ' A' ' 6' ' ' TYR . 64.3 Cg_endo -66.8 159.23 52.41 Favored 'Trans proline' 0 CA--C 1.544 0.984 0 C-N-CA 124.317 3.345 . . . . 0.0 113.111 175.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -60.4 -31.05 92.17 Favored 'Trans proline' 0 N--CA 1.482 0.839 0 C-N-CA 123.541 2.827 . . . . 0.0 114.7 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -169.87 169.74 8.13 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.544 1.937 . . . . 0.0 107.629 -179.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.458 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 21.4 t 60.98 148.27 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.179 0 O-C-N 124.675 1.234 . . . . 0.0 112.697 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.407 ' CZ ' ' HD2' ' A' ' 2' ' ' PRO . 1.5 m-85 -154.35 167.8 28.76 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 113.41 -1.723 . . . . 0.0 112.943 -179.382 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.568 HG22 ' HA ' ' A' ' 12' ' ' LYS . 0.8 OUTLIER -110.91 155.55 22.48 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 112.921 -1.945 . . . . 0.0 108.163 -169.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.64 -13.4 20.35 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -177.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.263 17.7 p 74.39 -56.28 0.64 Allowed 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 128.576 2.75 . . . . 0.0 112.238 -171.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -59.67 -38.51 81.68 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 175.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.6 p -114.25 10.54 17.24 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 118.991 -1.084 . . . . 0.0 108.27 176.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.568 ' HA ' HG22 ' A' ' 7' ' ' THR . 0.2 OUTLIER 27.7 29.75 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 118.609 2.818 . . . . 0.0 118.609 -170.414 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.5 ttm-85 -93.17 133.85 35.94 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 -176.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -80.21 122.52 26.95 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 112.824 -1.989 . . . . 0.0 111.376 176.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.471 ' HB2' HD11 ' A' ' 21' ' ' LEU . 20.8 m-85 -114.1 160.38 18.99 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 112.723 -2.035 . . . . 0.0 111.913 175.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -97.61 26.32 5.1 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-N 113.051 -1.886 . . . . 0.0 114.894 -174.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.1 p -176.96 136.99 0.22 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -175.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.85 -49.06 72.03 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 113.514 -1.675 . . . . 0.0 114.153 -176.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -68.61 -38.84 80.89 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.54 -37.44 70.5 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 117.752 -1.118 . . . . 0.0 111.116 171.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.471 HD11 ' HB2' ' A' ' 15' ' ' PHE . 6.7 mt -70.69 -47.36 60.27 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 171.099 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.85 -47.14 48.22 Favored Glycine 0 N--CA 1.483 1.799 0 O-C-N 123.929 0.768 . . . . 0.0 112.201 175.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.06 -43.22 73.61 Favored Glycine 0 CA--C 1.538 1.478 0 CA-C-N 114.226 -0.987 . . . . 0.0 113.733 173.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.61 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.9 t60 -71.74 -35.24 70.07 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -172.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.499 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -63.34 -45.3 91.88 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 126.48 1.912 . . . . 0.0 111.029 172.608 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -65.56 -26.99 68.11 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 174.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.61 HG12 ' O ' ' A' ' 24' ' ' HIS 0.259 0.4 OUTLIER -72.5 -12.13 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 172.413 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.499 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 8.8 m-70 -59.25 93.87 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.685 0.794 . . . . 0.0 109.663 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 37.76 62.86 0.85 Allowed 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 123.415 1.579 . . . . 0.0 113.23 -178.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.6 mmt85 -124.79 164.64 19.55 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 113.83 -1.532 . . . . 0.0 113.617 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -164.28 -45.26 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 112.998 -1.91 . . . . 0.0 111.19 -179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 46.24 73.5 0.17 Allowed 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 125.754 1.622 . . . . 0.0 112.952 177.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 46.52 91.28 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 113.376 -1.738 . . . . 0.0 112.543 -170.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -35.05 -51.06 0.52 Allowed 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 115.043 1.497 . . . . 0.0 115.043 -174.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.634 ' HG ' ' HG2' ' A' ' 36' ' ' ARG . 15.5 tp 65.84 -75.99 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.794 1.638 . . . . 0.0 111.631 178.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.634 ' HG2' ' HG ' ' A' ' 35' ' ' LEU . 12.0 ptt180 -176.11 110.88 0.1 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 127.276 2.231 . . . . 0.0 109.493 -176.28 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.811 HD23 ' N ' ' A' ' 38' ' ' NH2 . 0.2 OUTLIER -165.32 164.59 19.81 Favored 'General case' 0 C--O 1.27 2.154 0 CA-C-N 114.824 -1.08 . . . . 0.0 113.909 178.097 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . 0.811 ' N ' HD23 ' A' ' 37' ' ' LEU . . . . . . . . 0 C--N 1.303 -1.421 1 CA-C-N 56.447 -27.615 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.048 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 172.17 140.23 0.11 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 108.005 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -63.13 150.29 89.03 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 122.963 2.442 . . . . 0.0 111.895 175.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -71.75 -166.74 0.26 Allowed 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 122.63 2.22 . . . . 0.0 110.924 170.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? 61.21 92.89 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 125.482 1.513 . . . . 0.0 111.946 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 p 57.25 151.85 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 112.712 -2.04 . . . . 0.0 113.416 -172.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.493 ' HB2' ' CD1' ' A' ' 21' ' ' LEU . 92.4 m-85 -139.72 159.93 41.05 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 114.064 -1.425 . . . . 0.0 112.467 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.637 HG22 ' H ' ' A' ' 9' ' ' SER . 8.4 m -100.17 154.94 18.04 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 113.295 -1.775 . . . . 0.0 109.433 -175.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.68 -12.4 19.19 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -177.208 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.637 ' H ' HG22 ' A' ' 7' ' ' THR . 22.2 p 73.56 -53.06 0.7 Allowed 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 129.492 3.117 . . . . 0.0 112.449 -171.222 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.47 -37.38 87.09 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 177.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.8 p -108.81 9.49 26.81 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 173.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 29.71 27.48 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 118.115 2.635 . . . . 0.0 118.115 -171.052 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.417 ' O ' ' HA ' ' A' ' 7' ' ' THR . 1.5 mtp-105 -102.93 148.83 25.17 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.141 1.376 . . . . 0.0 110.796 -174.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -95.33 121.31 36.86 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 112.578 -2.101 . . . . 0.0 113.158 -177.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -111.0 162.1 15.19 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 112.052 -2.34 . . . . 0.0 112.075 178.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -111.27 40.85 1.98 Allowed 'General case' 0 N--CA 1.484 1.243 0 CA-C-N 113.468 -1.696 . . . . 0.0 114.772 -176.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.558 ' OG ' ' HB3' ' A' ' 20' ' ' ALA . 15.0 p -176.76 137.37 0.25 Allowed 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 -178.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.24 -54.27 31.89 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 114.137 -1.392 . . . . 0.0 113.751 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -68.1 -43.64 77.99 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -178.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.558 ' HB3' ' OG ' ' A' ' 17' ' ' SER . . . -69.81 -2.12 11.24 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 173.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.493 ' CD1' ' HB2' ' A' ' 6' ' ' TYR . 6.1 mt -93.22 -50.39 5.51 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 158.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.29 -49.59 55.84 Favored Glycine 0 N--CA 1.484 1.889 0 O-C-N 123.843 0.714 . . . . 0.0 112.072 176.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.23 -39.76 96.27 Favored Glycine 0 CA--C 1.537 1.455 0 CA-C-N 113.877 -1.162 . . . . 0.0 112.784 173.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.626 ' O ' HG12 ' A' ' 27' ' ' VAL . 3.0 t60 -70.25 -35.65 73.93 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -175.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.565 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 21.1 ttm -63.94 -41.09 97.71 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.365 1.466 . . . . 0.0 112.066 173.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -60.82 -40.0 91.13 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 173.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.626 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -64.7 -10.53 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 176.506 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.565 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 7.3 m-70 -63.34 -22.57 66.96 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 177.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 34.6 ttt85 66.52 71.75 0.39 Allowed 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 124.029 1.871 . . . . 0.0 110.641 178.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.96 171.42 8.11 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 111.961 -2.381 . . . . 0.0 111.543 176.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 40.5 t0 65.23 79.65 0.25 Allowed 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 125.743 1.617 . . . . 0.0 110.993 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -133.09 117.29 17.36 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 113.493 -1.685 . . . . 0.0 110.469 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 62.18 -59.74 0.12 Allowed 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 127.528 2.331 . . . . 0.0 114.55 -177.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -163.96 -47.59 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.472 1.909 . . . . 0.0 112.782 176.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.6 mt 50.85 -171.76 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.301 1.04 . . . . 0.0 113.007 -175.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.31 -46.33 16.34 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 115.56 -0.745 . . . . 0.0 112.727 175.081 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.4 mt 52.38 121.83 0.0 OUTLIER 'General case' 0 C--O 1.27 2.172 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 -175.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.43 1 CA-C-N 100.022 -7.808 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.003 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -174.5 132.26 0.5 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.615 1.197 . . . . 0.0 108.013 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -68.59 162.5 40.69 Favored 'Trans proline' 0 CA--C 1.545 1.05 0 C-N-CA 124.255 3.303 . . . . 0.0 113.626 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -63.69 -21.35 69.94 Favored 'Trans proline' 0 N--CA 1.484 0.934 0 C-N-CA 123.877 3.051 . . . . 0.0 114.77 172.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.16 169.75 0.16 Allowed 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.712 1.605 . . . . 0.0 112.85 170.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.401 ' CB ' ' HB3' ' A' ' 14' ' ' GLU . 66.7 m -44.42 146.42 0.7 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.713 1.205 . . . . 0.0 114.03 175.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -114.49 142.71 46.04 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 113.871 -1.513 . . . . 0.0 111.616 -173.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.632 HG22 ' H ' ' A' ' 9' ' ' SER . 8.1 m -86.58 155.62 20.38 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 125.907 1.683 . . . . 0.0 109.715 -176.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.93 -8.93 19.29 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -177.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.632 ' H ' HG22 ' A' ' 7' ' ' THR . 18.9 p 73.92 -54.18 0.68 Allowed 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 129.219 3.008 . . . . 0.0 112.246 -171.066 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.74 -46.97 76.86 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 178.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.9 p -96.98 7.81 45.84 Favored 'General case' 0 C--N 1.343 0.324 0 C-N-CA 118.9 -1.12 . . . . 0.0 108.305 174.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.0 pttt 34.33 20.31 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 117.034 2.235 . . . . 0.0 117.034 -170.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.432 ' O ' ' HA ' ' A' ' 7' ' ' THR . 3.1 ttm-85 -95.26 136.34 35.73 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.68 0.752 . . . . 0.0 109.689 -172.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.401 ' HB3' ' CB ' ' A' ' 5' ' ' SER . 2.2 mp0 -84.05 120.88 26.67 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 112.855 -1.975 . . . . 0.0 110.385 178.252 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.655 ' HB2' HD11 ' A' ' 21' ' ' LEU . 81.6 m-85 -116.76 144.2 44.75 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 114.434 -1.257 . . . . 0.0 112.256 178.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.5 ttp85 -85.67 38.11 0.73 Allowed 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 113.883 -1.508 . . . . 0.0 113.578 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.5 m -149.1 177.19 9.82 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.101 -178.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -122.38 -63.79 1.25 Allowed 'General case' 0 N--CA 1.481 1.08 0 O-C-N 124.023 0.827 . . . . 0.0 112.658 175.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -60.16 -36.54 77.79 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 178.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.41 -34.57 64.51 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 118.373 -0.822 . . . . 0.0 112.345 170.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.655 HD11 ' HB2' ' A' ' 15' ' ' PHE . 8.3 mp -80.31 -44.86 18.83 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.722 1.209 . . . . 0.0 113.252 -178.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.63 -51.9 36.24 Favored Glycine 0 N--CA 1.484 1.848 0 O-C-N 124.496 1.122 . . . . 0.0 110.892 173.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.49 -39.46 97.71 Favored Glycine 0 CA--C 1.54 1.632 0 CA-C-N 113.557 -1.322 . . . . 0.0 113.311 173.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.633 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.1 t60 -73.49 -37.5 65.69 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -173.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.593 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 8.9 ttp -65.58 -38.54 89.82 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.72 1.208 . . . . 0.0 111.506 173.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -61.74 -32.62 72.87 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 171.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.633 HG12 ' O ' ' A' ' 24' ' ' HIS 0.264 0.3 OUTLIER -67.6 -15.68 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 174.901 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.593 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 8.1 m-70 -62.93 96.67 0.09 Allowed 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.479 0.712 . . . . 0.0 109.618 -178.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 52.54 45.55 28.38 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-O 123.479 1.609 . . . . 0.0 112.796 174.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -134.46 161.53 34.77 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 114.483 -1.235 . . . . 0.0 111.358 -177.63 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.6 t70 69.7 92.96 0.08 Allowed 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 126.636 1.974 . . . . 0.0 112.271 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.2 mtp180 -119.71 88.84 3.01 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 114.329 -1.305 . . . . 0.0 110.739 177.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -137.32 148.28 46.21 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 112.815 -1.993 . . . . 0.0 109.99 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.32 90.76 2.65 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 123.903 0.752 . . . . 0.0 110.379 178.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 mt 54.84 103.83 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -178.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -60.98 -55.46 32.62 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 179.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.81 49.95 1.57 Allowed 'General case' 0 C--O 1.27 2.138 0 CA-C-O 116.661 -1.638 . . . . 0.0 112.766 177.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.445 1 CA-C-N 47.701 -31.591 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.052 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 52.6 m0 65.89 91.72 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.17 . . . . 0.0 108.056 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.581 ' HG2' ' HB3' ' A' ' 5' ' ' SER . 90.4 Cg_endo -71.13 157.92 56.28 Favored 'Trans proline' 0 CA--C 1.545 1.063 0 C-N-CA 124.353 3.368 . . . . 0.0 113.503 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -64.04 151.57 84.73 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 122.893 2.395 . . . . 0.0 112.081 175.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 51.2 mtt85 53.18 24.94 3.94 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 116.174 1.916 . . . . 0.0 116.174 -175.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.581 ' HB3' ' HG2' ' A' ' 2' ' ' PRO . 32.2 t -158.62 140.91 14.09 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 113.853 -1.521 . . . . 0.0 109.14 -173.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.46 ' O ' ' HA ' ' A' ' 14' ' ' GLU . 57.8 m-85 -147.37 168.49 21.69 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 113.843 -1.526 . . . . 0.0 112.392 176.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.485 HG22 ' HA ' ' A' ' 12' ' ' LYS . 2.2 m -101.49 152.35 20.87 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 112.794 -2.003 . . . . 0.0 108.284 -174.14 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.36 -11.46 27.72 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 -177.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.9 p 73.71 -53.14 0.69 Allowed 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 129.478 3.111 . . . . 0.0 112.294 -171.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.58 -42.29 95.71 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 177.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 32.1 p -108.81 10.86 26.54 Favored 'General case' 0 C--N 1.342 0.276 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 173.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.485 ' HA ' HG22 ' A' ' 7' ' ' THR . 23.7 pttt 32.55 26.89 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 117.598 2.444 . . . . 0.0 117.598 -172.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -101.08 137.25 39.7 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.591 0.756 . . . . 0.0 109.999 -172.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.46 ' HA ' ' O ' ' A' ' 6' ' ' TYR . 1.8 mt-10 -82.8 122.69 28.53 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 112.932 -1.94 . . . . 0.0 114.0 -178.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.57 ' O ' ' HA ' ' A' ' 5' ' ' SER . 11.5 m-85 -110.89 155.41 22.66 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 111.44 -2.618 . . . . 0.0 111.268 178.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.65 38.35 2.18 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-N 114.328 -1.305 . . . . 0.0 113.044 -178.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.507 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 30.5 p -169.65 139.18 1.98 Allowed 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 115.295 -0.866 . . . . 0.0 113.187 -174.074 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.47 -58.15 4.34 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 114.427 -1.261 . . . . 0.0 113.396 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.93 -48.21 77.46 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.501 ' HB3' ' OG ' ' A' ' 17' ' ' SER . . . -71.38 2.52 4.77 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 174.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.507 ' HB2' ' O ' ' A' ' 17' ' ' SER . 3.1 tt -101.07 -51.11 3.61 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.303 0.641 . . . . 0.0 110.87 165.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.46 -48.49 75.74 Favored Glycine 0 N--CA 1.484 1.887 0 O-C-N 123.473 0.483 . . . . 0.0 112.373 175.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.82 -38.31 95.95 Favored Glycine 0 CA--C 1.537 1.451 0 CA-C-N 114.366 -0.917 . . . . 0.0 112.48 173.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.61 ' O ' HG12 ' A' ' 27' ' ' VAL . 3.5 t60 -69.67 -36.37 75.97 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -178.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.541 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 2.7 ttp -64.55 -39.32 93.53 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.801 1.24 . . . . 0.0 112.355 172.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -64.54 -35.73 81.93 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 174.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.61 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.5 OUTLIER -68.08 -9.03 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 174.12 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.541 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 8.3 m-70 -63.0 168.22 4.19 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 176.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -178.16 121.23 0.1 Allowed 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.909 1.284 . . . . 0.0 109.458 -178.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 60.01 166.45 0.07 Allowed 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 122.289 1.043 . . . . 0.0 113.255 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -103.86 130.45 51.44 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.455 178.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.6 ptt85 -160.97 156.3 24.61 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 113.37 -1.741 . . . . 0.0 110.27 176.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.05 -178.33 0.1 Allowed 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.671 170.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.4 ttt180 -66.25 -133.4 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.081 0 O-C-N 122.195 -0.316 . . . . 0.0 111.749 175.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 61.74 54.2 2.99 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-O 123.084 1.421 . . . . 0.0 113.006 -173.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? -73.31 153.53 40.51 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 113.956 -1.474 . . . . 0.0 109.815 175.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.2 tt 68.64 44.6 1.17 Allowed 'General case' 0 C--O 1.27 2.158 0 C-N-CA 124.887 1.275 . . . . 0.0 113.789 -177.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.458 1 CA-C-N 24.355 -42.202 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.541 ' O ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.229 -0.001 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.424 ' C ' ' O ' ' A' ' 0' ' ' ACE . 86.9 m95 -40.2 98.12 0.16 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 107.987 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.541 ' HD3' ' O ' ' A' ' 0' ' ' ACE . 95.0 Cg_endo -69.09 150.02 71.82 Favored 'Trans proline' 0 CA--C 1.543 0.96 0 C-N-CA 123.839 3.026 . . . . 0.0 112.579 177.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -70.3 -42.62 2.72 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 123.152 2.568 . . . . 0.0 114.1 175.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -84.39 121.18 27.18 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.044 0.538 . . . . 0.0 110.629 175.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.8 m 56.63 164.64 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.128 0 O-C-N 125.219 1.574 . . . . 0.0 112.573 -177.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -130.33 145.63 51.81 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 115.12 -0.945 . . . . 0.0 113.268 173.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.552 HG22 ' H ' ' A' ' 9' ' ' SER . 32.2 m -86.8 151.22 23.55 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 113.247 -1.797 . . . . 0.0 110.307 176.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.8 -13.96 18.21 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 114.894 -1.048 . . . . 0.0 108.374 -175.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.552 ' H ' HG22 ' A' ' 7' ' ' THR . 21.3 p 76.25 -52.49 0.61 Allowed 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 129.935 3.294 . . . . 0.0 111.967 -172.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.82 -37.21 85.62 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 178.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.7 p -108.02 5.68 26.35 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 171.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.482 ' HA ' HG23 ' A' ' 7' ' ' THR . 12.5 ptmt 34.63 22.87 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 117.74 2.496 . . . . 0.0 117.74 -170.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.69 135.42 41.13 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 114.437 -1.256 . . . . 0.0 110.296 -172.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -83.41 118.68 23.89 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 111.429 -2.623 . . . . 0.0 110.535 -178.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.575 ' HB2' HD11 ' A' ' 21' ' ' LEU . 72.7 m-85 -115.3 140.83 48.77 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 113.909 -1.496 . . . . 0.0 112.044 178.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.5 ttp180 -86.88 46.72 1.4 Allowed 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 113.692 -1.595 . . . . 0.0 112.526 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.8 m -155.56 -178.89 7.6 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.948 -179.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -126.87 -61.81 1.15 Allowed 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.641 175.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -60.04 -41.14 91.64 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.3 -29.83 58.99 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 114.978 -1.01 . . . . 0.0 113.201 171.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.575 HD11 ' HB2' ' A' ' 15' ' ' PHE . 8.3 mp -85.46 -44.98 12.26 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.664 1.186 . . . . 0.0 113.388 -177.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.1 -49.82 48.08 Favored Glycine 0 N--CA 1.482 1.741 0 O-C-N 124.48 1.113 . . . . 0.0 110.77 172.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.32 -40.89 99.48 Favored Glycine 0 CA--C 1.539 1.588 0 CA-C-N 113.574 -1.313 . . . . 0.0 113.322 172.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.631 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.2 t60 -72.82 -36.78 67.59 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -172.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.547 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 1.4 tmm? -64.52 -37.67 88.36 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.412 1.485 . . . . 0.0 111.97 173.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -65.78 -35.07 79.66 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 174.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.631 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.4 OUTLIER -67.11 -12.74 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 N-CA-C 114.552 1.316 . . . . 0.0 114.552 174.02 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.547 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 8.5 m-70 -62.57 160.12 14.51 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 177.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -171.98 54.34 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 CA-C-O 122.958 1.361 . . . . 0.0 114.144 178.251 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.436 ' HG2' ' HG3' ' A' ' 32' ' ' ARG . 19.4 ttt180 -134.79 108.29 7.88 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.279 -0.873 . . . . 0.0 113.121 -175.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -78.79 -53.14 7.41 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 114.386 -1.279 . . . . 0.0 112.543 176.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.436 ' HG3' ' HG2' ' A' ' 30' ' ' ARG . 79.2 mtm180 57.06 157.99 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 125.344 1.458 . . . . 0.0 114.238 -175.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -106.2 64.78 0.68 Allowed 'General case' 0 N--CA 1.477 0.898 0 CA-C-O 122.706 1.241 . . . . 0.0 110.361 177.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.14 -32.83 17.3 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 113.174 -1.83 . . . . 0.0 115.436 178.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.1 mt 59.82 92.73 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 125.576 1.55 . . . . 0.0 111.886 177.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 48.87 39.73 14.94 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 117.167 2.284 . . . . 0.0 117.167 178.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mt -147.35 94.52 2.4 Favored 'General case' 0 C--O 1.27 2.155 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -176.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.413 0 CA-C-N 116.587 -0.278 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.017 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -149.25 93.09 4.17 Favored Pre-proline 0 C--N 1.327 -0.409 0 O-C-N 124.59 1.181 . . . . 0.0 107.946 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -71.81 158.59 52.7 Favored 'Trans proline' 0 CA--C 1.543 0.968 0 C-N-CA 124.478 3.452 . . . . 0.0 112.591 177.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -67.67 -48.0 1.74 Allowed 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 123.007 2.471 . . . . 0.0 114.433 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.6 ptt180 -72.03 114.01 9.68 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.216 1.406 . . . . 0.0 111.741 176.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.2 m 55.82 158.51 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 114.956 -1.02 . . . . 0.0 112.945 -173.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -135.59 147.3 48.64 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 114.834 -1.075 . . . . 0.0 113.789 174.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.65 HG22 ' H ' ' A' ' 9' ' ' SER . 96.9 m -81.14 151.08 28.43 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 113.938 -1.483 . . . . 0.0 111.323 175.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.67 -15.78 18.42 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -177.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.65 ' H ' HG22 ' A' ' 7' ' ' THR 0.265 16.0 p 76.25 -56.55 0.57 Allowed 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 128.665 2.786 . . . . 0.0 112.146 -172.065 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.41 ' HB2' ' CD2' ' A' ' 28' ' ' HIS . 15.8 m-85 -57.86 -37.79 74.54 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.714 1.375 . . . . 0.0 114.714 175.051 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 26.0 p -113.84 12.66 18.26 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 118.46 -1.296 . . . . 0.0 108.265 177.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.432 ' HA ' HG23 ' A' ' 7' ' ' THR . 0.0 OUTLIER 32.43 23.13 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 117.876 2.547 . . . . 0.0 117.876 -171.563 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.515 ' O ' ' HA ' ' A' ' 7' ' ' THR . 2.9 mtp-105 -99.03 146.57 25.91 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.731 1.213 . . . . 0.0 112.032 -173.187 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -89.12 115.64 26.79 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 112.297 -2.229 . . . . 0.0 111.546 -178.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.831 ' HB2' HD12 ' A' ' 21' ' ' LEU . 24.7 m-85 -106.45 138.2 43.07 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 114.019 -1.446 . . . . 0.0 111.651 173.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.4 ptt-85 -93.47 28.42 2.27 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 113.296 -1.775 . . . . 0.0 113.056 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.6 p -147.36 138.93 24.0 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -171.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.04 -73.02 0.19 Allowed 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 114.835 -1.075 . . . . 0.0 112.989 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -59.85 -48.83 80.09 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.012 0.925 . . . . 0.0 112.497 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.42 -4.79 8.95 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 115.875 1.806 . . . . 0.0 115.875 177.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.831 HD12 ' HB2' ' A' ' 15' ' ' PHE . 6.4 tt -99.68 -52.86 3.34 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 118.517 -0.754 . . . . 0.0 111.308 163.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.78 -48.44 56.83 Favored Glycine 0 N--CA 1.483 1.831 0 CA-C-O 121.518 0.51 . . . . 0.0 112.099 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.71 -36.93 93.73 Favored Glycine 0 CA--C 1.537 1.437 0 CA-C-N 113.492 -1.354 . . . . 0.0 112.61 171.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.644 ' O ' HG12 ' A' ' 27' ' ' VAL . 1.7 t60 -69.58 -35.94 75.81 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 117.893 0.846 . . . . 0.0 109.592 -177.328 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.497 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 9.3 ttt -62.73 -42.11 99.5 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.35 1.46 . . . . 0.0 111.971 173.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -66.75 -29.27 69.2 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 174.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.644 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -66.99 -15.02 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 172.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.497 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 13.2 m-70 -63.14 101.93 0.33 Allowed 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 178.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -178.41 72.95 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 124.97 1.308 . . . . 0.0 113.948 171.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.34 137.77 0.1 Allowed 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 126.085 1.754 . . . . 0.0 110.938 175.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 52.06 18.81 0.89 Allowed 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 115.56 1.689 . . . . 0.0 115.56 -172.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -130.69 113.15 13.8 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.845 1.258 . . . . 0.0 108.737 -176.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -164.22 165.77 21.69 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 113.721 -1.582 . . . . 0.0 109.725 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.26 -48.08 0.67 Allowed 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 127.136 2.174 . . . . 0.0 113.284 178.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.0 mt 71.17 94.68 0.07 Allowed 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 127.288 2.235 . . . . 0.0 112.119 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.76 85.21 6.14 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 114.678 -1.146 . . . . 0.0 110.368 179.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 46.21 55.89 6.8 Favored 'General case' 0 C--O 1.27 2.149 0 N-CA-C 116.229 1.937 . . . . 0.0 116.229 176.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.446 0 CA-C-N 113.392 -1.731 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.036 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 31.3 t-105 -173.72 72.37 0.36 Allowed Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -72.62 165.9 31.4 Favored 'Trans proline' 0 CA--C 1.545 1.075 0 C-N-CA 123.873 3.049 . . . . 0.0 112.224 -178.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -70.15 -24.32 28.0 Favored 'Trans proline' 0 CA--C 1.543 0.947 0 C-N-CA 123.162 2.575 . . . . 0.0 115.205 171.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 44.6 mmt-85 -51.05 178.92 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 125.516 1.526 . . . . 0.0 113.941 172.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.1 p -57.06 150.37 17.26 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.355 174.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -119.75 146.83 45.29 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 114.052 -1.431 . . . . 0.0 111.84 -175.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.61 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 29.7 m -93.91 154.54 17.64 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 113.88 -1.509 . . . . 0.0 111.039 178.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.34 -16.81 16.79 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 -175.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.543 ' H ' HG22 ' A' ' 7' ' ' THR . 20.9 p 76.42 -52.6 0.6 Allowed 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 129.837 3.255 . . . . 0.0 112.138 -172.446 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.99 -40.44 94.96 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 115.019 1.489 . . . . 0.0 115.019 178.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.5 p -109.29 12.52 24.76 Favored 'General case' 0 C--N 1.343 0.292 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 172.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.5 pttm 34.61 14.97 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 118.566 2.802 . . . . 0.0 118.566 -170.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.61 ' O ' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -80.83 150.25 29.22 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.706 1.202 . . . . 0.0 110.101 -172.577 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -106.63 118.08 35.72 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 112.991 -1.913 . . . . 0.0 109.919 -176.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.542 ' HB2' HD11 ' A' ' 21' ' ' LEU . 35.3 m-85 -121.94 155.56 35.25 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 113.033 -1.894 . . . . 0.0 111.977 -176.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -108.08 56.61 0.63 Allowed 'General case' 0 N--CA 1.487 1.382 0 CA-C-N 113.092 -1.867 . . . . 0.0 113.003 -175.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.535 ' O ' HD13 ' A' ' 21' ' ' LEU . 58.8 m -162.44 163.69 27.53 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.726 -176.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -121.36 18.6 11.42 Favored 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 115.208 1.559 . . . . 0.0 115.208 176.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.517 ' HG3' ' H ' ' A' ' 20' ' ' ALA . 21.7 pt20 -134.52 -57.25 0.84 Allowed 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.926 0.89 . . . . 0.0 112.628 -176.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.517 ' H ' ' HG3' ' A' ' 19' ' ' GLN . . . -48.91 -37.0 18.51 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 114.52 -1.218 . . . . 0.0 112.78 171.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.542 HD11 ' HB2' ' A' ' 15' ' ' PHE . 7.2 mp -68.89 -51.09 43.92 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 177.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.62 -49.45 65.3 Favored Glycine 0 N--CA 1.481 1.65 0 O-C-N 124.332 1.02 . . . . 0.0 111.198 177.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.07 -42.23 99.72 Favored Glycine 0 CA--C 1.539 1.542 0 CA-C-N 114.005 -1.097 . . . . 0.0 112.933 173.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.605 ' O ' HG12 ' A' ' 27' ' ' VAL . 3.2 t60 -72.4 -37.58 68.64 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -174.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.558 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 4.0 tmm? -65.13 -38.03 89.34 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.366 1.467 . . . . 0.0 111.884 174.192 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -66.63 -35.35 79.97 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 174.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.605 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.9 OUTLIER -65.68 -16.67 20.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 173.46 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.558 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 7.9 m-70 -57.49 139.12 54.16 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 178.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 45.89 20.67 0.08 Allowed 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -177.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -124.55 139.79 53.55 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 122.869 1.318 . . . . 0.0 111.279 -171.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -175.16 160.2 2.68 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 112.185 -2.279 . . . . 0.0 109.458 -175.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 48.1 mtm180 66.82 114.55 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.227 0 O-C-N 125.69 1.869 . . . . 0.0 111.705 -178.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -110.87 143.56 41.29 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 113.595 -1.638 . . . . 0.0 110.407 -177.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -74.29 -56.94 4.3 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 114.544 -1.207 . . . . 0.0 113.303 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.3 pp 34.96 60.4 0.66 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 125.623 1.569 . . . . 0.0 115.194 -175.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -50.04 -47.04 53.51 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 114.512 -1.222 . . . . 0.0 113.95 -173.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.5 tp -171.37 1.02 0.01 OUTLIER 'General case' 0 C--O 1.27 2.175 0 CA-C-O 117.4 -1.286 . . . . 0.0 111.958 173.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.442 1 CA-C-N 89.107 -12.77 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.017 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.408 ' O ' ' CG ' ' A' ' 1' ' ' TRP . 14.4 p-90 -115.6 92.77 34.58 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 108.019 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -72.63 157.83 51.73 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 C-N-CA 124.359 3.373 . . . . 0.0 113.026 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -63.29 147.11 94.02 Favored 'Trans proline' 0 CA--C 1.537 0.652 0 C-N-CA 122.583 2.189 . . . . 0.0 112.249 174.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 51.6 mtt-85 49.59 37.54 12.76 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 115.702 1.741 . . . . 0.0 115.702 -177.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.84 145.63 3.66 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 114.845 -1.07 . . . . 0.0 112.325 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -130.31 138.82 50.65 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 113.669 -1.605 . . . . 0.0 114.033 175.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.484 HG22 ' H ' ' A' ' 9' ' ' SER . 3.0 m -85.59 154.71 21.54 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 112.611 -2.086 . . . . 0.0 108.78 -178.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.22 -11.49 18.72 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -178.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.484 ' H ' HG22 ' A' ' 7' ' ' THR 0.263 18.1 p 74.3 -57.0 0.63 Allowed 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 128.555 2.742 . . . . 0.0 112.096 -171.26 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -58.58 -36.81 74.56 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 175.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.7 p -113.45 10.24 18.22 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 119.03 -1.068 . . . . 0.0 108.259 177.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt 32.32 24.46 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 117.415 2.376 . . . . 0.0 117.415 -171.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.3 ttm-85 -101.15 131.4 47.12 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 122.015 0.912 . . . . 0.0 108.559 -172.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -81.66 118.3 22.7 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 111.243 -2.708 . . . . 0.0 110.956 -177.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -113.79 136.8 52.46 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 113.391 -1.731 . . . . 0.0 112.104 177.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.8 ptt180 -83.27 37.89 0.58 Allowed 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 113.469 -1.696 . . . . 0.0 111.887 173.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.4 m -139.68 159.32 42.45 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 114.047 -1.433 . . . . 0.0 112.243 -170.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.66 -75.12 0.59 Allowed 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 113.943 -1.481 . . . . 0.0 110.85 175.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? -61.7 -43.2 99.3 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -178.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.83 -41.29 86.53 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 172.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -74.74 -39.78 61.65 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.517 0.727 . . . . 0.0 112.765 178.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.19 -47.61 80.31 Favored Glycine 0 N--CA 1.482 1.747 0 O-C-N 123.794 0.684 . . . . 0.0 111.784 172.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.66 -37.09 92.92 Favored Glycine 0 N--CA 1.48 1.63 0 CA-C-N 114.768 -0.716 . . . . 0.0 112.925 172.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.63 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.2 t60 -72.12 -36.9 69.55 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -174.128 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.527 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 9.5 ttp -62.27 -41.75 98.75 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.334 1.054 . . . . 0.0 112.123 172.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.421 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 54.6 t30 -70.16 -22.93 62.92 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 175.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.63 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.4 OUTLIER -72.55 -14.91 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 170.115 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.527 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 11.1 m-70 -60.52 95.22 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.39 0.676 . . . . 0.0 109.648 179.245 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.441 ' O ' ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 40.87 43.63 1.76 Allowed 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 125.625 1.57 . . . . 0.0 112.224 -178.097 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.421 ' HB3' ' O ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -151.67 158.62 43.67 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.126 -171.854 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 65.66 137.75 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 125.851 1.66 . . . . 0.0 110.162 -171.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 67.56 -60.02 0.4 Allowed 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 126.051 1.741 . . . . 0.0 111.48 -176.32 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 56.27 -163.51 0.16 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.73 2.412 . . . . 0.0 111.108 -175.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -141.45 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 122.734 0.414 . . . . 0.0 111.689 170.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 64.25 175.49 0.18 Allowed 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 125.003 1.321 . . . . 0.0 111.424 -178.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -165.43 107.03 0.77 Allowed 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.552 1.141 . . . . 0.0 110.481 177.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 tt 65.85 56.64 0.87 Allowed 'General case' 0 C--O 1.27 2.173 0 CA-C-N 114.016 -1.447 . . . . 0.0 114.854 -179.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.432 1 CA-C-N 72.287 -20.415 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_