data_2v1v_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 2v1v _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.1 mm . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.791 0.329 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.43 HD23 ' CE1' ' A' ' 27' ' ' TYR . 88.3 mt -56.56 140.08 47.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -159.09 117.05 2.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.837 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.442 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 16.9 pt-20 -100.22 127.86 46.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -156.01 166.77 32.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.985 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -89.55 -67.16 0.86 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.684 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -75.98 125.85 29.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.45 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.625 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 4.0 m-20 -53.16 -34.92 58.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.338 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.4 -33.9 55.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.083 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -53.61 -34.25 57.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.828 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.484 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -45.95 169.68 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.313 0.578 . . . . 0.0 111.735 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 pp -104.96 160.16 15.24 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.592 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 50.11 -147.82 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.455 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.52 58.8 2.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.72 0.295 . . . . 0.0 110.935 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.2 m -130.87 -172.79 2.91 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.465 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 20.2 m -132.45 159.38 43.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.38 0.61 . . . . 0.0 111.834 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.625 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 8.6 m -99.41 134.91 41.6 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.829 179.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.451 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 10.0 mt -99.7 143.17 30.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.085 0.469 . . . . 0.0 111.366 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.71 -46.18 81.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.79 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.451 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 8.2 p-80 -57.69 -22.52 46.67 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.778 0.323 . . . . 0.0 110.755 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.485 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 110.87 64.79 0.52 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.624 -0.798 . . . . 0.0 113.341 179.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.485 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 7.7 m-85 -168.21 142.49 3.39 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.824 0.345 . . . . 0.0 111.035 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.09 119.96 38.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.702 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.412 -1.215 . . . . 0.0 112.539 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.2 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.881 0.372 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.459 ' CD2' ' CE1' ' A' ' 27' ' ' TYR . 88.0 mt -56.55 140.07 47.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.825 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -158.46 113.95 2.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.928 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.441 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.2 OUTLIER -100.15 128.86 46.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.107 -179.854 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.52 167.41 30.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.999 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.7 tptp -88.76 -66.67 0.9 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.747 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.0 tttp -78.82 128.71 33.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.44 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.637 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -53.84 -34.97 60.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.461 -179.443 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 m -53.04 -33.95 54.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.93 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -53.15 -34.33 56.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.78 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.493 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -46.44 170.49 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.322 0.582 . . . . 0.0 111.579 -178.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.22 156.49 17.86 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.596 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 49.69 -150.71 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.538 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.53 58.01 4.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.347 . . . . 0.0 110.98 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.5 m -129.28 -176.1 3.78 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.459 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 16.8 m -132.17 158.34 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.409 0.624 . . . . 0.0 111.935 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.637 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 11.6 m -99.34 135.19 41.11 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.953 -1.022 . . . . 0.0 110.008 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.441 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 7.4 mt -99.76 143.95 29.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.031 0.443 . . . . 0.0 111.441 -179.192 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -56.33 -48.67 76.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.494 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.441 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 1.6 p-80 -54.35 -25.43 24.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.864 0.364 . . . . 0.0 110.569 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.486 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.29 64.6 0.48 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.677 -0.773 . . . . 0.0 113.03 179.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.486 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 16.7 m-85 -167.73 142.82 3.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.804 0.335 . . . . 0.0 111.002 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -99.24 122.39 42.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.66 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.031 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.453 -179.907 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.9 mt . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 120.783 0.325 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.444 ' CD2' ' CE1' ' A' ' 27' ' ' TYR . 49.2 mt -58.15 140.01 53.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.968 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -164.28 118.82 1.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.788 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.427 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.7 OUTLIER -99.74 131.58 45.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.202 -179.774 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.06 162.34 41.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.871 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.64 -63.33 1.35 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.667 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.0 tttt -82.45 131.53 35.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.565 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.653 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 3.9 m-20 -54.93 -34.89 63.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.399 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.8 p -54.43 -33.84 60.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.11 -34.42 30.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.664 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.48 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.7 t -49.34 173.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.119 0.485 . . . . 0.0 111.112 -179.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.69 172.27 7.34 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.984 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 52.17 -124.78 2.31 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.655 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.88 56.45 1.23 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.721 0.296 . . . . 0.0 110.804 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -132.34 -171.02 2.54 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.463 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 20.9 m -131.46 160.22 42.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.235 0.541 . . . . 0.0 111.701 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.653 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 16.6 m -99.33 134.16 42.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.098 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.43 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 3.5 mt -99.8 144.86 28.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.997 0.427 . . . . 0.0 111.39 -179.12 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -55.72 -47.97 75.96 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.646 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.43 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -53.23 -26.54 18.18 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.901 0.381 . . . . 0.0 110.537 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.469 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.39 65.99 0.49 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.647 -0.787 . . . . 0.0 113.108 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.469 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 8.3 m-85 -166.65 145.51 5.46 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.78 0.324 . . . . 0.0 111.014 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.17 114.25 26.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.491 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.468 -179.911 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.8 mm . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.85 0.357 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.465 ' CD2' ' CE1' ' A' ' 27' ' ' TYR . 84.0 mt -57.43 135.65 56.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.996 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -163.83 113.06 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.863 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.416 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 9.5 pt-20 -99.64 131.82 45.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.158 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.26 163.28 40.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -85.83 -63.63 1.29 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.599 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.47 130.63 35.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.629 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.644 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 4.0 m-20 -54.65 -34.9 62.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.274 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.19 -33.84 59.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.889 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -51.76 -34.37 39.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.725 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.483 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.7 t -48.47 172.47 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.185 0.517 . . . . 0.0 111.167 -179.093 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 pp -115.4 170.92 8.04 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.167 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 52.81 -124.87 2.35 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.603 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -123.55 56.0 1.22 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.828 0.347 . . . . 0.0 110.78 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -131.87 -170.07 2.33 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.094 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.471 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 27.6 m -132.28 160.89 42.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.324 0.583 . . . . 0.0 111.733 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.644 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 16.4 m -99.31 133.63 43.34 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.895 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.452 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 3.8 mt -99.79 144.46 28.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.02 0.438 . . . . 0.0 111.534 -178.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.53 -46.11 77.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.979 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.452 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 10.9 p-80 -56.26 -23.71 37.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.86 0.362 . . . . 0.0 110.839 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.492 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 110.63 65.6 0.53 Allowed Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.625 -0.798 . . . . 0.0 113.306 178.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.492 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 7.1 m-85 -168.64 146.54 4.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.785 0.326 . . . . 0.0 110.853 179.376 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.04 117.36 33.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.608 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.137 0 CA-C-O 118.339 -1.256 . . . . 0.0 112.559 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.6 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.733 0.302 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.452 ' CD2' ' CE1' ' A' ' 27' ' ' TYR . 88.5 mt -57.07 140.16 50.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.85 119.58 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.801 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.442 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 13.6 pt-20 -99.7 132.33 45.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.257 -179.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.8 161.16 40.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.977 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.97 -66.18 0.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.803 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.55 130.38 35.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.618 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.654 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -54.24 -37.89 65.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.262 -179.482 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 65.0 m -51.9 -33.86 38.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.816 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -50.94 -34.49 28.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.528 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.479 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -49.44 173.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.086 0.469 . . . . 0.0 111.098 -179.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -116.61 173.12 6.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.994 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 51.13 -124.71 2.27 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.74 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.71 56.97 1.2 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.814 0.34 . . . . 0.0 110.884 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.2 m -133.21 -172.92 3.06 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.074 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.465 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 21.2 m -130.05 160.02 41.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.362 0.601 . . . . 0.0 111.603 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.654 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 16.2 m -99.36 132.39 44.71 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.005 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.431 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 2.8 mt -99.7 145.41 27.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.947 0.403 . . . . 0.0 111.554 -179.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -56.17 -47.17 78.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.525 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.431 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -53.41 -26.05 18.18 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.89 0.376 . . . . 0.0 110.588 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.468 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 111.68 65.17 0.5 Allowed Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.702 -0.761 . . . . 0.0 113.156 179.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.468 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 30.3 m-85 -165.89 146.08 6.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.924 0.392 . . . . 0.0 111.012 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -99.28 112.98 25.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.62 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.337 -1.257 . . . . 0.0 112.514 179.982 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.6 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.797 0.332 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.428 HD21 ' CD1' ' A' ' 27' ' ' TYR . 58.6 mt -60.52 140.12 57.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.96 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.41 ' O ' ' CA ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -158.84 114.83 2.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.712 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.425 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -99.6 131.35 45.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.264 -179.661 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -152.12 163.28 39.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.91 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -83.1 -61.87 1.74 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.756 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.7 tptp -86.96 137.95 31.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.581 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.693 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -58.79 -35.95 73.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.752 0.31 . . . . 0.0 111.013 -179.718 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.5 m -54.92 -33.84 62.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.418 179.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -50.02 -34.5 21.52 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.729 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.48 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.9 t -49.82 172.3 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.057 0.456 . . . . 0.0 111.284 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 pp -115.13 171.45 7.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.674 -0.693 . . . . 0.0 111.023 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 52.68 -124.83 2.34 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.724 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.14 57.26 1.22 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.887 0.375 . . . . 0.0 110.709 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.3 m -133.53 -178.06 4.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.058 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.444 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 19.3 m -124.82 158.97 31.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.329 0.585 . . . . 0.0 111.721 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.693 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 17.6 m -99.46 134.02 42.93 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.131 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.408 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 3.1 mt -99.84 143.57 29.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.269 -179.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -54.55 -47.33 73.34 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.523 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.408 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -54.4 -26.94 33.43 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.869 0.366 . . . . 0.0 110.616 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.462 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 113.27 67.91 0.5 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.674 -0.774 . . . . 0.0 113.115 179.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.462 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 10.5 m-85 -166.21 144.22 5.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.738 0.304 . . . . 0.0 111.043 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -99.21 108.11 20.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.562 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.439 -1.201 . . . . 0.0 112.461 -179.862 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.3 mm . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.803 0.335 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.425 HD21 ' CE1' ' A' ' 27' ' ' TYR . 60.6 mt -59.2 140.05 56.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.974 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -161.11 113.29 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.811 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.442 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 1.3 pp20? -99.9 129.24 45.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.202 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.29 165.84 35.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.074 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? -88.24 -66.11 0.95 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.701 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -78.57 127.96 32.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.452 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.639 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -52.86 -34.88 56.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.403 -179.44 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.3 m -54.19 -33.95 59.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.9 -34.22 40.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.741 -179.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.494 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -47.75 172.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.189 0.518 . . . . 0.0 111.347 -179.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -108.28 169.47 8.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.268 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 47.72 -125.09 1.71 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.941 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -120.24 54.15 1.06 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.039 0.447 . . . . 0.0 110.599 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.5 m -126.99 -175.25 3.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.014 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.465 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 18.4 m -127.17 159.72 36.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.382 0.61 . . . . 0.0 111.834 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.639 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 10.4 m -99.4 135.43 40.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.884 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.43 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 6.5 mt -99.72 143.63 29.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.96 0.409 . . . . 0.0 111.519 -179.134 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -56.28 -48.34 76.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.532 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.43 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 1.5 p-80 -54.54 -25.3 25.07 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.877 0.37 . . . . 0.0 110.62 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.479 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.07 65.96 0.5 Allowed Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.702 -0.761 . . . . 0.0 113.155 179.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.479 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 8.4 m-85 -167.75 142.89 3.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.756 0.312 . . . . 0.0 111.074 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.13 119.13 37.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.671 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.439 -1.2 . . . . 0.0 112.555 180.0 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.8 mt . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 120.888 0.375 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.427 HD23 ' CE1' ' A' ' 27' ' ' TYR . 82.0 mt -54.02 140.09 32.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.401 ' O ' ' CA ' ' A' ' 27' ' ' TYR . 1.4 tt -158.97 125.63 4.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.792 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.427 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.9 OUTLIER -99.7 131.96 45.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.163 -179.651 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -153.58 161.74 41.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.91 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.11 -59.96 2.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.642 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.77 133.91 33.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.626 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.657 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -56.03 -34.83 66.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.244 -179.581 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.68 -33.98 61.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 179.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.33 -34.56 24.21 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.578 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.46 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.5 t -50.68 174.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.014 0.435 . . . . 0.0 111.029 -179.226 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 pp -118.81 169.13 10.11 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.135 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 53.06 -124.89 2.35 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.578 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.78 54.33 1.08 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.836 0.351 . . . . 0.0 110.754 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 m -131.9 172.9 11.75 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.301 -0.409 . . . . 0.0 109.904 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.463 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 23.2 m -119.79 160.24 20.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.348 0.594 . . . . 0.0 111.714 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.657 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 17.5 m -99.19 133.56 43.3 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.977 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.428 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 2.7 mt -99.76 144.56 28.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.987 0.422 . . . . 0.0 111.359 -179.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -54.86 -46.71 74.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.45 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.428 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -53.72 -27.05 25.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.913 0.387 . . . . 0.0 110.528 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.465 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.27 65.9 0.5 Allowed Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.686 -0.769 . . . . 0.0 113.091 179.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.465 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 32.2 m-85 -165.78 144.99 6.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.867 0.365 . . . . 0.0 111.163 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.16 111.66 23.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.561 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.55 -179.893 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.0 pt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.867 0.365 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.446 ' CD2' ' CE1' ' A' ' 27' ' ' TYR . 68.4 mt -57.49 140.08 51.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -163.65 115.68 1.43 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.431 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 14.3 pt-20 -99.74 132.45 45.07 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.04 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -152.27 162.72 40.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.982 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.62 -56.59 3.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.584 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -92.01 140.05 30.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.507 179.707 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.67 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -60.41 -34.83 74.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.339 -179.548 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.13 -34.12 59.55 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.231 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 2.0 m-20 -52.04 -34.3 42.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.818 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.462 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.6 t -48.47 172.6 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.126 0.488 . . . . 0.0 111.255 -179.069 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 pp -116.38 169.69 9.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.169 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 52.24 -124.82 2.32 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.666 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -121.49 55.43 1.08 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.861 0.362 . . . . 0.0 110.78 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.2 m -132.47 179.93 5.83 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.001 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.467 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 23.0 m -124.96 160.71 29.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.357 0.598 . . . . 0.0 111.777 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.67 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 18.1 m -99.22 133.37 43.62 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.054 -0.976 . . . . 0.0 109.953 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.448 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 3.8 mt -99.7 144.52 28.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.02 0.438 . . . . 0.0 111.483 -179.127 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -55.08 -45.65 75.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.031 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.448 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 11.3 p-80 -56.46 -23.54 39.63 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.712 0.291 . . . . 0.0 110.744 -179.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.485 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 110.5 65.84 0.54 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.603 -0.808 . . . . 0.0 113.406 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.485 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 7.2 m-85 -168.44 147.41 4.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.827 0.346 . . . . 0.0 110.753 179.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.08 115.48 29.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.728 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.415 -1.214 . . . . 0.0 112.481 -179.939 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.2 pt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.774 0.321 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.419 HD21 ' CD1' ' A' ' 27' ' ' TYR . 93.8 mt -58.66 135.06 57.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -162.8 116.76 1.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.82 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.435 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -99.91 130.62 46.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.137 -179.776 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.81 159.87 40.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.019 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -83.3 -58.11 2.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.681 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -85.52 132.04 34.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.705 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.676 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 3.9 m-20 -57.67 -34.9 69.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.154 -179.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.2 m -54.43 -33.68 59.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.727 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -52.42 -34.36 48.04 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.65 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.497 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.7 t -47.28 171.12 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.27 0.557 . . . . 0.0 111.57 -178.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 pp -102.93 158.09 16.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.532 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 49.46 -151.32 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.524 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.98 58.62 3.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.648 0.261 . . . . 0.0 110.949 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.2 m -128.49 -172.53 2.73 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.453 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 16.5 m -133.39 158.89 43.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.56 0.695 . . . . 0.0 112.099 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.676 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 9.4 m -99.44 138.12 36.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.867 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.449 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 8.2 mt -99.75 143.0 30.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.051 0.453 . . . . 0.0 111.706 -178.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -55.77 -48.24 75.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.71 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.449 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 6.8 p-80 -56.61 -23.21 39.38 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.786 0.327 . . . . 0.0 110.708 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.496 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 111.08 66.02 0.53 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.634 -0.793 . . . . 0.0 113.224 179.072 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.496 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 8.1 m-85 -168.91 143.26 3.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.831 0.348 . . . . 0.0 111.011 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -99.17 123.6 43.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.575 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.324 -1.265 . . . . 0.0 112.543 -179.921 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.2 pp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.825 0.345 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.424 HD21 ' CD1' ' A' ' 27' ' ' TYR . 52.3 mt -57.92 140.01 53.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.086 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.4 ' O ' ' CA ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -159.75 113.66 2.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.705 179.884 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.428 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 4.0 pt-20 -99.62 130.58 45.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.82 158.15 38.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.967 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.96 -66.29 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.653 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.33 137.64 35.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.632 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.701 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 4.0 m-20 -59.92 -34.9 73.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.312 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 t -54.3 -34.1 60.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.083 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.79 -34.46 40.04 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.868 -179.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.475 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.9 t -47.79 171.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.152 0.501 . . . . 0.0 111.37 -179.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 pp -112.85 168.77 9.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.189 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 52.7 -124.98 2.36 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.762 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -122.41 55.19 1.16 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.866 0.365 . . . . 0.0 110.789 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.3 m -130.91 179.18 6.13 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.128 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.441 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 19.9 m -122.09 158.55 25.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.294 0.569 . . . . 0.0 111.78 -179.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.701 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 15.3 m -99.33 133.27 43.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.962 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.42 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 3.6 mt -99.66 144.25 28.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.917 0.389 . . . . 0.0 111.418 -179.258 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -46.35 76.52 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.555 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.42 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -55.26 -24.63 29.09 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.823 0.344 . . . . 0.0 110.646 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.468 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 110.6 66.59 0.55 Allowed Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.671 -0.776 . . . . 0.0 113.304 179.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.468 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 16.8 m-85 -166.73 143.67 4.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.846 0.355 . . . . 0.0 111.151 179.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.18 113.43 25.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.609 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.338 -1.257 . . . . 0.0 112.636 -179.91 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.9 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.784 0.326 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.427 HD23 ' CE1' ' A' ' 27' ' ' TYR . 34.9 mt -57.44 140.1 51.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -162.99 122.07 2.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.786 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.445 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 10.6 pt-20 -99.81 131.74 45.6 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.198 -179.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.83 162.26 40.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.042 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -85.85 -61.77 1.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.694 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -81.85 128.76 34.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.536 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.643 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -54.09 -34.89 61.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.273 -179.516 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.7 t -54.72 -33.91 61.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.796 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -51.38 -34.34 33.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.678 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.492 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -48.61 172.75 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.125 0.488 . . . . 0.0 111.29 -179.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.33 171.01 7.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.229 -179.391 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 50.9 -124.92 2.27 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.752 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -122.97 56.54 1.15 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.942 0.401 . . . . 0.0 110.622 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -131.59 -171.45 2.61 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.069 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.467 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 19.5 m -130.34 160.65 41.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.43 0.633 . . . . 0.0 111.849 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.643 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 13.4 m -99.33 134.96 41.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.901 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.44 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 4.2 mt -99.8 144.72 28.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.005 0.431 . . . . 0.0 111.475 -179.017 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -56.36 -48.14 77.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.518 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.44 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -53.51 -26.28 20.17 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.925 0.393 . . . . 0.0 110.557 -179.848 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.463 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.69 64.81 0.47 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.674 -0.774 . . . . 0.0 113.118 179.045 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.463 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 8.3 m-85 -166.65 145.8 5.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.705 0.288 . . . . 0.0 111.01 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.19 116.8 32.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.639 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.328 -1.262 . . . . 0.0 112.579 179.967 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.1 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.82 0.343 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.439 HD11 ' CD1' ' A' ' 27' ' ' TYR . 3.0 mm? -69.64 137.4 52.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.773 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -163.23 118.75 1.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.675 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.436 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -99.66 131.97 45.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.164 -179.759 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.99 160.21 40.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.8 -52.64 5.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.664 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -89.28 131.9 35.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.566 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.643 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -57.55 -34.88 69.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.216 -179.537 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.2 p -55.38 -33.74 63.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.755 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -51.1 -34.43 30.44 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.626 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.473 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.6 t -49.25 173.35 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.076 0.465 . . . . 0.0 111.141 -179.175 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.89 171.05 8.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.04 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 53.22 -124.78 2.33 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.646 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.41 56.24 1.12 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.775 0.321 . . . . 0.0 110.814 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -134.71 -178.08 4.91 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.202 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.478 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 20.9 m -126.01 162.0 30.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.297 0.57 . . . . 0.0 111.595 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.643 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 16.6 m -99.3 133.83 43.03 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.106 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.45 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 4.0 mt -99.83 144.58 28.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.121 0.486 . . . . 0.0 111.43 -179.049 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -55.48 -46.25 76.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.004 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.45 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 10.7 p-80 -56.08 -23.76 35.87 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.834 0.35 . . . . 0.0 110.874 -179.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.495 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 110.95 65.6 0.53 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.681 -0.771 . . . . 0.0 113.374 178.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.495 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 7.4 m-85 -168.57 146.95 4.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.834 0.349 . . . . 0.0 111.027 179.323 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.21 117.02 32.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.599 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.425 -1.209 . . . . 0.0 112.429 -179.951 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.6 mp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.878 0.371 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.444 ' CD2' ' CE1' ' A' ' 27' ' ' TYR . 93.9 mt -55.3 140.07 40.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.174 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.13 116.85 3.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.62 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.431 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -99.55 132.52 44.83 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.174 -179.623 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.11 162.43 41.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.931 -179.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.45 -64.56 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.666 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.7 133.83 34.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.557 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.679 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -55.25 -34.86 64.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.333 -179.591 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 m -54.51 -33.96 60.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.738 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -50.6 -34.46 26.06 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.65 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.476 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -49.98 174.11 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.997 0.427 . . . . 0.0 111.129 -179.167 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 pp -117.14 167.99 10.69 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.141 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 52.98 -124.98 2.37 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.643 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -120.74 55.44 1.03 Allowed 'General case' 0 N--CA 1.456 -0.155 0 CA-C-O 120.94 0.4 . . . . 0.0 110.711 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.3 m -132.41 172.52 12.36 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.956 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.443 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 20.4 m -118.63 158.8 19.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.329 0.585 . . . . 0.0 111.764 -179.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.679 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 18.6 m -99.29 133.16 43.99 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.111 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.407 ' HB3' ' NE2' ' A' ' 25' ' ' HIS . 2.4 mt -99.73 144.77 28.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.015 0.436 . . . . 0.0 111.348 -179.166 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.13 -46.17 75.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.532 -179.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.407 ' NE2' ' HB3' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -54.33 -26.07 27.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.811 0.338 . . . . 0.0 110.597 -179.865 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.474 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 111.72 65.74 0.51 Allowed Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.585 -0.817 . . . . 0.0 113.183 179.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.474 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 22.8 m-85 -165.69 145.71 6.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.903 0.382 . . . . 0.0 110.991 179.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.25 110.62 23.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.601 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.344 -1.253 . . . . 0.0 112.582 -179.934 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.7 mm . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.803 0.335 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.421 HD11 ' CD1' ' A' ' 27' ' ' TYR . 2.9 mm? -72.12 140.01 48.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -164.08 117.89 1.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.796 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.444 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 9.8 pt-20 -99.79 132.47 45.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.258 -179.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -156.17 160.31 39.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.99 -179.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.6 mtpp -83.13 -64.27 1.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.649 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.0 tttm -81.12 130.17 34.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.416 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.67 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -54.27 -34.9 61.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.4 -179.535 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.86 -33.94 57.87 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 179.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -51.23 -34.24 31.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.685 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.486 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.7 t -49.23 173.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.092 0.472 . . . . 0.0 111.174 -179.108 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 pp -112.77 169.16 9.1 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.266 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 50.73 -124.95 2.25 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.795 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -121.5 54.01 1.15 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.818 0.342 . . . . 0.0 110.805 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.3 m -127.14 -173.13 2.82 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.985 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.449 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 18.7 m -130.22 158.89 42.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.367 0.603 . . . . 0.0 111.82 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.67 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 14.9 m -99.39 134.68 41.9 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.932 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.434 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 3.7 mt -99.62 144.63 28.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.862 0.363 . . . . 0.0 111.521 -179.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -55.81 -48.28 75.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.523 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.434 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -53.14 -26.34 16.48 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.835 0.35 . . . . 0.0 110.512 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.469 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.16 66.24 0.5 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.65 -0.786 . . . . 0.0 113.188 179.068 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.469 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 8.0 m-85 -167.14 145.53 4.96 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.775 0.321 . . . . 0.0 110.895 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.07 114.87 27.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.647 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.569 -179.914 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.76 0.314 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.445 ' CD2' ' CE1' ' A' ' 27' ' ' TYR . 79.8 mt -58.24 140.1 53.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -162.67 111.95 1.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.752 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.431 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 1.6 pt-20 -99.72 130.74 45.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.121 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -153.46 168.14 27.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.006 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.51 -67.86 0.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.663 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -81.06 133.44 35.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.484 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.646 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 3.9 m-20 -54.81 -34.9 63.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.337 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.0 m -54.46 -33.89 60.48 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -51.4 -34.47 34.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.722 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.49 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -48.47 172.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.137 0.494 . . . . 0.0 111.261 -179.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.1 pp -114.02 170.77 8.03 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.055 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 51.5 -124.84 2.29 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.768 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.3 57.09 1.16 Allowed 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 121.003 0.43 . . . . 0.0 110.699 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -131.46 -170.76 2.44 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.081 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.459 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 21.8 m -132.21 159.37 43.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.294 0.569 . . . . 0.0 111.599 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.646 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 17.4 m -99.3 133.04 44.18 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.115 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.433 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 3.4 mt -99.75 144.94 28.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.442 -179.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -55.91 -47.9 76.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.541 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.433 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -53.39 -25.99 17.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.752 0.311 . . . . 0.0 110.557 -179.827 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.467 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 111.83 65.44 0.5 Allowed Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.686 -0.768 . . . . 0.0 113.085 179.079 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.467 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 12.8 m-85 -166.4 145.2 5.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.767 0.317 . . . . 0.0 110.974 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.19 114.45 27.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.695 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.03 0 CA-C-O 118.403 -1.22 . . . . 0.0 112.541 -179.953 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.0 tp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.821 0.344 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.426 HD21 ' CE1' ' A' ' 27' ' ' TYR . 60.5 mt -55.75 137.37 49.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -160.5 113.86 2.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.716 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.446 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.8 OUTLIER -99.98 128.96 46.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.157 -179.744 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -156.05 158.05 37.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -82.12 -59.4 2.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.647 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.5 tttp -81.99 130.74 35.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.491 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.671 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -58.73 -35.04 72.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.299 -179.495 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 72.2 m -54.45 -33.79 60.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -52.55 -34.38 49.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.732 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.483 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -46.69 170.84 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.239 0.542 . . . . 0.0 111.539 -178.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 pp -106.55 161.87 14.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.549 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 50.19 -146.16 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.501 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -98.58 59.19 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.754 0.311 . . . . 0.0 110.931 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -130.5 -171.27 2.51 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.455 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 17.0 m -133.97 159.24 42.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.402 0.62 . . . . 0.0 111.847 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.671 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 9.9 m -99.43 134.56 42.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.88 -1.055 . . . . 0.0 109.865 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.431 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 5.7 mt -99.73 143.23 30.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.04 0.448 . . . . 0.0 111.519 -178.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.08 -47.22 78.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.547 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.431 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 1.4 p-80 -55.06 -25.68 32.43 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.854 0.359 . . . . 0.0 110.634 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.475 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.73 64.64 0.47 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.663 -0.78 . . . . 0.0 113.117 179.099 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.475 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 8.2 m-85 -167.21 143.35 4.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.838 0.352 . . . . 0.0 111.108 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.16 117.47 33.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.656 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.49 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.4 mm . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.837 0.351 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.44 ' CD2' ' CE1' ' A' ' 27' ' ' TYR . 62.1 mt -57.98 140.07 53.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -164.53 118.68 1.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.727 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.44 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.6 OUTLIER -99.87 130.66 46.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.174 -179.726 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -153.93 163.49 39.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.008 -179.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.42 -66.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.696 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.87 132.71 35.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.59 179.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.663 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.7 OUTLIER -55.52 -34.83 65.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.356 -179.54 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.2 t -54.71 -33.93 61.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.81 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -51.08 -34.49 30.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.673 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.492 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -48.49 172.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.029 0.442 . . . . 0.0 111.396 -179.105 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 pp -110.56 170.58 7.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.156 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 51.44 -124.94 2.3 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.786 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -124.25 54.1 1.38 Allowed 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 120.812 0.339 . . . . 0.0 110.75 179.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -126.81 -168.81 1.92 Allowed 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.097 179.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.454 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 17.9 m -131.73 158.76 43.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.393 0.616 . . . . 0.0 111.985 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.663 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 13.0 m -99.42 135.03 41.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.003 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.436 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 4.2 mt -99.69 143.28 30.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.908 0.385 . . . . 0.0 111.44 -179.237 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -46.39 77.38 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.487 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.436 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -55.79 -25.24 40.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.774 0.321 . . . . 0.0 110.602 -179.77 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.474 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.18 66.15 0.5 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.605 -0.807 . . . . 0.0 113.199 179.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.474 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 8.2 m-85 -167.06 143.92 4.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.766 0.317 . . . . 0.0 111.025 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.1 113.74 26.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.58 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.368 -1.24 . . . . 0.0 112.493 -179.922 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.8 tp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.864 0.364 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.427 HD23 ' CD1' ' A' ' 27' ' ' TYR . 72.5 mt -53.91 140.03 32.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.029 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -160.3 120.8 2.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.98 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.441 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 1.8 pt-20 -100.15 129.48 46.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.074 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.49 164.74 38.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.939 0.399 . . . . 0.0 111.073 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.66 -66.33 0.91 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.777 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -80.54 130.63 35.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.528 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.644 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -54.61 -34.91 62.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.503 -179.496 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.4 t -52.84 -33.97 51.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.028 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.13 -34.27 56.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.77 -179.448 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.497 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.7 t -46.87 171.01 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.26 0.552 . . . . 0.0 111.537 -178.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 pp -104.52 157.21 17.32 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.535 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 49.52 -151.25 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.503 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -89.87 58.38 4.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.73 0.3 . . . . 0.0 110.967 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.5 m -129.16 -173.79 3.09 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.46 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 18.5 m -133.98 158.39 42.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.512 0.672 . . . . 0.0 112.093 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.644 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 11.6 m -99.35 135.87 40.13 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.908 179.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.45 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 8.5 mt -99.77 142.87 30.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.089 0.471 . . . . 0.0 111.505 -179.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -46.27 77.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.789 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.45 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 8.0 p-80 -58.43 -22.09 53.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.873 0.368 . . . . 0.0 110.846 -179.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.487 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 110.25 65.04 0.53 Allowed Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.681 -0.771 . . . . 0.0 113.331 179.053 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.487 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 7.7 m-85 -168.39 142.56 3.29 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.787 0.327 . . . . 0.0 110.913 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.23 121.63 41.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.649 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.353 -1.248 . . . . 0.0 112.506 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.9 mm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.793 0.33 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.41 HD23 ' CE1' ' A' ' 27' ' ' TYR . 81.4 mt -57.02 139.76 51.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.403 ' O ' ' CA ' ' A' ' 27' ' ' TYR . 1.1 tt -164.47 118.54 1.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.759 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.418 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -99.75 132.2 45.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 -179.636 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.65 162.44 41.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.945 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -84.47 -62.92 1.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.684 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -84.26 132.1 34.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.6 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.66 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 3.9 m-20 -54.02 -34.85 61.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.35 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.2 t -54.54 -33.8 60.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -51.17 -34.33 30.99 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.683 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.486 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -49.17 173.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.071 0.462 . . . . 0.0 111.29 -178.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 pp -113.75 171.59 7.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.14 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 50.91 -124.81 2.26 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.761 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.1 55.46 1.29 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.819 0.343 . . . . 0.0 110.81 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -128.87 -168.66 1.95 Allowed 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.257 -0.428 . . . . 0.0 109.912 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.458 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 19.8 m -133.59 159.62 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.392 0.615 . . . . 0.0 111.821 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.66 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 18.8 m -99.35 134.89 41.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.906 179.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.44 HD12 ' CE1' ' A' ' 25' ' ' HIS . 16.3 mt -99.74 142.54 31.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.049 0.452 . . . . 0.0 111.47 -178.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.82 -46.15 67.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.626 -0.716 . . . . 0.0 112.372 -179.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.44 ' CE1' HD12 ' A' ' 23' ' ' LEU . 7.7 p-80 -58.73 -24.21 61.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.816 0.341 . . . . 0.0 111.019 -179.398 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.496 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.85 68.66 0.52 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.622 -0.799 . . . . 0.0 113.164 179.127 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.496 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 7.9 m-85 -168.69 145.17 3.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.751 0.31 . . . . 0.0 110.898 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.95 113.02 24.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.574 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.32 -1.267 . . . . 0.0 112.504 -179.872 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.789 0.328 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.5 m -101.46 138.07 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.3 p -100.41 130.28 26.1 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.77 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -42.71 148.17 0.5 Allowed 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.727 2.285 . . . . 0.0 112.695 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -73.94 79.6 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.647 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.1 mm -133.66 122.55 43.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.142 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.43 HD23 ' CE1' ' A' ' 27' ' ' TYR . 88.3 mt -56.56 140.08 47.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -159.09 117.05 2.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.837 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.442 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 16.9 pt-20 -100.22 127.86 46.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -156.01 166.77 32.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.985 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -89.55 -67.16 0.86 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.684 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -75.98 125.85 29.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.45 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.625 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 4.0 m-20 -53.16 -34.92 58.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.338 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.4 -33.9 55.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.083 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -53.61 -34.25 57.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.828 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.484 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -45.95 169.68 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.313 0.578 . . . . 0.0 111.735 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 pp -104.96 160.16 15.24 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.592 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 50.11 -147.82 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.455 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.52 58.8 2.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.72 0.295 . . . . 0.0 110.935 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.2 m -130.87 -172.79 2.91 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.465 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 20.2 m -132.45 159.38 43.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.38 0.61 . . . . 0.0 111.834 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.625 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 8.6 m -99.41 134.91 41.6 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.829 179.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.451 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 10.0 mt -99.7 143.17 30.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.085 0.469 . . . . 0.0 111.366 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.71 -46.18 81.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.79 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.451 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 8.2 p-80 -57.69 -22.52 46.67 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.778 0.323 . . . . 0.0 110.755 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.485 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 110.87 64.79 0.52 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.624 -0.798 . . . . 0.0 113.341 179.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.485 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 7.7 m-85 -168.21 142.49 3.39 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.824 0.345 . . . . 0.0 111.035 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.09 119.96 38.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.702 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.412 -1.215 . . . . 0.0 112.539 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.4 mtt85 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.927 0.394 . . . . 0.0 111.258 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.6 p -110.09 140.1 30.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.187 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.2 p -99.99 130.35 26.47 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.818 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -42.19 148.93 0.34 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.721 2.281 . . . . 0.0 112.795 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.37 79.8 2.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.581 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.2 mt -134.69 130.66 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.11 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.459 ' CD2' ' CE1' ' A' ' 27' ' ' TYR . 88.0 mt -56.55 140.07 47.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.825 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -158.46 113.95 2.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.928 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.441 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.2 OUTLIER -100.15 128.86 46.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.107 -179.854 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.52 167.41 30.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.999 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.7 tptp -88.76 -66.67 0.9 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.747 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.0 tttp -78.82 128.71 33.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.44 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.637 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -53.84 -34.97 60.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.461 -179.443 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 m -53.04 -33.95 54.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.93 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -53.15 -34.33 56.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.78 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.493 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -46.44 170.49 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.322 0.582 . . . . 0.0 111.579 -178.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.22 156.49 17.86 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.596 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 49.69 -150.71 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.538 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.53 58.01 4.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.347 . . . . 0.0 110.98 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.5 m -129.28 -176.1 3.78 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.459 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 16.8 m -132.17 158.34 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.409 0.624 . . . . 0.0 111.935 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.637 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 11.6 m -99.34 135.19 41.11 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.953 -1.022 . . . . 0.0 110.008 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.441 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 7.4 mt -99.76 143.95 29.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.031 0.443 . . . . 0.0 111.441 -179.192 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -56.33 -48.67 76.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.494 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.441 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 1.6 p-80 -54.35 -25.43 24.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.864 0.364 . . . . 0.0 110.569 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.486 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.29 64.6 0.48 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.677 -0.773 . . . . 0.0 113.03 179.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.486 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 16.7 m-85 -167.73 142.82 3.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.804 0.335 . . . . 0.0 111.002 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -99.24 122.39 42.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.66 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.031 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.453 -179.907 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.831 0.348 . . . . 0.0 111.206 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.7 p -98.59 111.25 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.105 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.7 p -164.63 130.23 2.08 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -45.17 142.24 6.05 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.611 2.208 . . . . 0.0 112.533 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.7 mtm-85 -72.27 79.68 0.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.628 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.9 mt -132.05 122.65 49.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.124 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.444 ' CD2' ' CE1' ' A' ' 27' ' ' TYR . 49.2 mt -58.15 140.01 53.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.968 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -164.28 118.82 1.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.788 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.427 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.7 OUTLIER -99.74 131.58 45.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.202 -179.774 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.06 162.34 41.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.871 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.64 -63.33 1.35 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.667 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.0 tttt -82.45 131.53 35.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.565 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.653 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 3.9 m-20 -54.93 -34.89 63.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.399 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.8 p -54.43 -33.84 60.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.11 -34.42 30.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.664 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.48 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.7 t -49.34 173.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.119 0.485 . . . . 0.0 111.112 -179.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.69 172.27 7.34 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.984 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 52.17 -124.78 2.31 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.655 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.88 56.45 1.23 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.721 0.296 . . . . 0.0 110.804 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -132.34 -171.02 2.54 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.463 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 20.9 m -131.46 160.22 42.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.235 0.541 . . . . 0.0 111.701 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.653 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 16.6 m -99.33 134.16 42.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.098 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.43 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 3.5 mt -99.8 144.86 28.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.997 0.427 . . . . 0.0 111.39 -179.12 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -55.72 -47.97 75.96 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.646 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.43 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -53.23 -26.54 18.18 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.901 0.381 . . . . 0.0 110.537 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.469 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.39 65.99 0.49 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.647 -0.787 . . . . 0.0 113.108 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.469 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 8.3 m-85 -166.65 145.51 5.46 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.78 0.324 . . . . 0.0 111.014 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.17 114.25 26.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.491 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.468 -179.911 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.782 0.325 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 m -81.54 110.24 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.048 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.3 p -172.95 130.16 0.58 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -44.92 126.98 8.03 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.504 2.136 . . . . 0.0 112.503 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.25 79.76 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.8 mm -129.54 132.93 65.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.987 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.465 ' CD2' ' CE1' ' A' ' 27' ' ' TYR . 84.0 mt -57.43 135.65 56.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.996 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -163.83 113.06 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.863 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.416 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 9.5 pt-20 -99.64 131.82 45.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.158 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.26 163.28 40.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -85.83 -63.63 1.29 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.599 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.47 130.63 35.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.629 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.644 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 4.0 m-20 -54.65 -34.9 62.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.274 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.19 -33.84 59.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.889 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -51.76 -34.37 39.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.725 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.483 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.7 t -48.47 172.47 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.185 0.517 . . . . 0.0 111.167 -179.093 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 pp -115.4 170.92 8.04 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.167 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 52.81 -124.87 2.35 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.603 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -123.55 56.0 1.22 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.828 0.347 . . . . 0.0 110.78 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -131.87 -170.07 2.33 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.094 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.471 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 27.6 m -132.28 160.89 42.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.324 0.583 . . . . 0.0 111.733 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.644 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 16.4 m -99.31 133.63 43.34 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.895 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.452 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 3.8 mt -99.79 144.46 28.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.02 0.438 . . . . 0.0 111.534 -178.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.53 -46.11 77.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.979 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.452 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 10.9 p-80 -56.26 -23.71 37.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.86 0.362 . . . . 0.0 110.839 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.492 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 110.63 65.6 0.53 Allowed Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.625 -0.798 . . . . 0.0 113.306 178.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.492 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 7.1 m-85 -168.64 146.54 4.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.785 0.326 . . . . 0.0 110.853 179.376 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.04 117.36 33.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.608 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.137 0 CA-C-O 118.339 -1.256 . . . . 0.0 112.559 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.764 0.316 . . . . 0.0 111.205 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.5 92.22 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.218 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.5 p -171.41 130.14 0.73 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.747 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -43.69 140.07 4.73 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.548 2.165 . . . . 0.0 112.662 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.2 mtt180 -71.62 79.83 0.82 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.804 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.6 mt -137.97 122.92 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.056 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.452 ' CD2' ' CE1' ' A' ' 27' ' ' TYR . 88.5 mt -57.07 140.16 50.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.85 119.58 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.801 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.442 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 13.6 pt-20 -99.7 132.33 45.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.257 -179.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.8 161.16 40.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.977 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.97 -66.18 0.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.803 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.55 130.38 35.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.618 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.654 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -54.24 -37.89 65.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.262 -179.482 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 65.0 m -51.9 -33.86 38.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.816 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -50.94 -34.49 28.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.528 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.479 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -49.44 173.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.086 0.469 . . . . 0.0 111.098 -179.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -116.61 173.12 6.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.994 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 51.13 -124.71 2.27 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.74 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.71 56.97 1.2 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.814 0.34 . . . . 0.0 110.884 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.2 m -133.21 -172.92 3.06 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.074 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.465 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 21.2 m -130.05 160.02 41.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.362 0.601 . . . . 0.0 111.603 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.654 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 16.2 m -99.36 132.39 44.71 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.005 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.431 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 2.8 mt -99.7 145.41 27.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.947 0.403 . . . . 0.0 111.554 -179.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -56.17 -47.17 78.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.525 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.431 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -53.41 -26.05 18.18 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.89 0.376 . . . . 0.0 110.588 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.468 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 111.68 65.17 0.5 Allowed Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.702 -0.761 . . . . 0.0 113.156 179.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.468 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 30.3 m-85 -165.89 146.08 6.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.924 0.392 . . . . 0.0 111.012 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -99.28 112.98 25.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.62 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.337 -1.257 . . . . 0.0 112.514 179.982 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.835 0.35 . . . . 0.0 111.229 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.4 p -109.85 138.38 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.4 p -101.41 130.19 25.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -46.16 155.89 0.58 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.55 2.167 . . . . 0.0 112.582 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.32 79.73 8.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.701 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.6 mt -142.44 133.32 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.159 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.428 HD21 ' CD1' ' A' ' 27' ' ' TYR . 58.6 mt -60.52 140.12 57.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.96 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.41 ' O ' ' CA ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -158.84 114.83 2.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.712 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.425 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -99.6 131.35 45.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.264 -179.661 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -152.12 163.28 39.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.91 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -83.1 -61.87 1.74 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.756 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.7 tptp -86.96 137.95 31.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.581 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.693 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -58.79 -35.95 73.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.752 0.31 . . . . 0.0 111.013 -179.718 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.5 m -54.92 -33.84 62.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.418 179.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -50.02 -34.5 21.52 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.729 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.48 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.9 t -49.82 172.3 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.057 0.456 . . . . 0.0 111.284 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 pp -115.13 171.45 7.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.674 -0.693 . . . . 0.0 111.023 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 52.68 -124.83 2.34 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.724 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.14 57.26 1.22 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.887 0.375 . . . . 0.0 110.709 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.3 m -133.53 -178.06 4.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.058 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.444 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 19.3 m -124.82 158.97 31.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.329 0.585 . . . . 0.0 111.721 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.693 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 17.6 m -99.46 134.02 42.93 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.131 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.408 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 3.1 mt -99.84 143.57 29.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.269 -179.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -54.55 -47.33 73.34 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.523 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.408 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -54.4 -26.94 33.43 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.869 0.366 . . . . 0.0 110.616 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.462 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 113.27 67.91 0.5 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.674 -0.774 . . . . 0.0 113.115 179.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.462 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 10.5 m-85 -166.21 144.22 5.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.738 0.304 . . . . 0.0 111.043 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -99.21 108.11 20.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.562 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.439 -1.201 . . . . 0.0 112.461 -179.862 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.81 0.338 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.0 t -97.97 140.04 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.4 p -99.93 130.08 27.13 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -46.46 157.45 0.46 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.502 2.135 . . . . 0.0 112.491 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.58 79.58 8.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.628 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.3 mm -131.65 132.8 62.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.05 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.425 HD21 ' CE1' ' A' ' 27' ' ' TYR . 60.6 mt -59.2 140.05 56.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.974 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -161.11 113.29 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.811 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.442 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 1.3 pp20? -99.9 129.24 45.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.202 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.29 165.84 35.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.074 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? -88.24 -66.11 0.95 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.701 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -78.57 127.96 32.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.452 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.639 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -52.86 -34.88 56.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.403 -179.44 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.3 m -54.19 -33.95 59.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.9 -34.22 40.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.741 -179.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.494 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -47.75 172.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.189 0.518 . . . . 0.0 111.347 -179.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -108.28 169.47 8.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.268 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 47.72 -125.09 1.71 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.941 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -120.24 54.15 1.06 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.039 0.447 . . . . 0.0 110.599 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.5 m -126.99 -175.25 3.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.014 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.465 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 18.4 m -127.17 159.72 36.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.382 0.61 . . . . 0.0 111.834 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.639 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 10.4 m -99.4 135.43 40.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.884 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.43 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 6.5 mt -99.72 143.63 29.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.96 0.409 . . . . 0.0 111.519 -179.134 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -56.28 -48.34 76.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.532 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.43 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 1.5 p-80 -54.54 -25.3 25.07 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.877 0.37 . . . . 0.0 110.62 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.479 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.07 65.96 0.5 Allowed Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.702 -0.761 . . . . 0.0 113.155 179.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.479 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 8.4 m-85 -167.75 142.89 3.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.756 0.312 . . . . 0.0 111.074 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.13 119.13 37.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.671 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.439 -1.2 . . . . 0.0 112.555 180.0 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.889 0.376 . . . . 0.0 111.228 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.6 m -65.46 138.0 23.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.056 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.1 p -99.84 130.22 26.92 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.818 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -41.34 148.81 0.24 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.902 2.401 . . . . 0.0 112.902 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -73.71 79.73 1.54 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.591 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.8 mt -137.19 106.42 4.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.14 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.427 HD23 ' CE1' ' A' ' 27' ' ' TYR . 82.0 mt -54.02 140.09 32.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.401 ' O ' ' CA ' ' A' ' 27' ' ' TYR . 1.4 tt -158.97 125.63 4.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.792 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.427 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.9 OUTLIER -99.7 131.96 45.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.163 -179.651 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -153.58 161.74 41.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.91 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.11 -59.96 2.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.642 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.77 133.91 33.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.626 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.657 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -56.03 -34.83 66.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.244 -179.581 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.68 -33.98 61.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 179.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.33 -34.56 24.21 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.578 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.46 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.5 t -50.68 174.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.014 0.435 . . . . 0.0 111.029 -179.226 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 pp -118.81 169.13 10.11 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.135 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 53.06 -124.89 2.35 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.578 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.78 54.33 1.08 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.836 0.351 . . . . 0.0 110.754 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 m -131.9 172.9 11.75 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.301 -0.409 . . . . 0.0 109.904 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.463 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 23.2 m -119.79 160.24 20.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.348 0.594 . . . . 0.0 111.714 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.657 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 17.5 m -99.19 133.56 43.3 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.977 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.428 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 2.7 mt -99.76 144.56 28.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.987 0.422 . . . . 0.0 111.359 -179.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -54.86 -46.71 74.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.45 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.428 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -53.72 -27.05 25.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.913 0.387 . . . . 0.0 110.528 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.465 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.27 65.9 0.5 Allowed Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.686 -0.769 . . . . 0.0 113.091 179.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.465 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 32.2 m-85 -165.78 144.99 6.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.867 0.365 . . . . 0.0 111.163 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.16 111.66 23.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.561 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.55 -179.893 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.832 0.348 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.9 t -66.84 76.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.064 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.0 p -161.47 130.12 3.01 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.774 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo -44.13 130.38 8.38 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.619 2.213 . . . . 0.0 112.6 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.98 79.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.0 pt -136.66 130.43 46.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.118 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.446 ' CD2' ' CE1' ' A' ' 27' ' ' TYR . 68.4 mt -57.49 140.08 51.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -163.65 115.68 1.43 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.431 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 14.3 pt-20 -99.74 132.45 45.07 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.04 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -152.27 162.72 40.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.982 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.62 -56.59 3.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.584 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -92.01 140.05 30.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.507 179.707 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.67 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -60.41 -34.83 74.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.339 -179.548 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.13 -34.12 59.55 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.231 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 2.0 m-20 -52.04 -34.3 42.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.818 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.462 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.6 t -48.47 172.6 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.126 0.488 . . . . 0.0 111.255 -179.069 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 pp -116.38 169.69 9.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.169 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 52.24 -124.82 2.32 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.666 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -121.49 55.43 1.08 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.861 0.362 . . . . 0.0 110.78 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.2 m -132.47 179.93 5.83 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.001 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.467 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 23.0 m -124.96 160.71 29.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.357 0.598 . . . . 0.0 111.777 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.67 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 18.1 m -99.22 133.37 43.62 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.054 -0.976 . . . . 0.0 109.953 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.448 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 3.8 mt -99.7 144.52 28.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.02 0.438 . . . . 0.0 111.483 -179.127 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -55.08 -45.65 75.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.031 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.448 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 11.3 p-80 -56.46 -23.54 39.63 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.712 0.291 . . . . 0.0 110.744 -179.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.485 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 110.5 65.84 0.54 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.603 -0.808 . . . . 0.0 113.406 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.485 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 7.2 m-85 -168.44 147.41 4.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.827 0.346 . . . . 0.0 110.753 179.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.08 115.48 29.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.728 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.415 -1.214 . . . . 0.0 112.481 -179.939 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.931 0.396 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.4 m -102.8 77.49 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.8 p -132.14 130.23 21.97 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.816 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -44.81 126.0 6.98 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.561 2.174 . . . . 0.0 112.468 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.04 79.73 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.814 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.2 pt -126.67 135.53 63.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.099 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.419 HD21 ' CD1' ' A' ' 27' ' ' TYR . 93.8 mt -58.66 135.06 57.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -162.8 116.76 1.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.82 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.435 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -99.91 130.62 46.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.137 -179.776 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.81 159.87 40.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.019 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -83.3 -58.11 2.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.681 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -85.52 132.04 34.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.705 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.676 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 3.9 m-20 -57.67 -34.9 69.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.154 -179.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.2 m -54.43 -33.68 59.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.727 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -52.42 -34.36 48.04 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.65 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.497 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.7 t -47.28 171.12 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.27 0.557 . . . . 0.0 111.57 -178.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 pp -102.93 158.09 16.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.532 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 49.46 -151.32 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.524 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.98 58.62 3.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.648 0.261 . . . . 0.0 110.949 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.2 m -128.49 -172.53 2.73 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.453 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 16.5 m -133.39 158.89 43.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.56 0.695 . . . . 0.0 112.099 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.676 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 9.4 m -99.44 138.12 36.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.867 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.449 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 8.2 mt -99.75 143.0 30.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.051 0.453 . . . . 0.0 111.706 -178.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -55.77 -48.24 75.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.71 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.449 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 6.8 p-80 -56.61 -23.21 39.38 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.786 0.327 . . . . 0.0 110.708 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.496 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 111.08 66.02 0.53 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.634 -0.793 . . . . 0.0 113.224 179.072 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.496 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 8.1 m-85 -168.91 143.26 3.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.831 0.348 . . . . 0.0 111.011 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -99.17 123.6 43.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.575 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.324 -1.265 . . . . 0.0 112.543 -179.921 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.849 0.357 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.0 p -110.06 138.46 37.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.196 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.9 p -104.59 130.27 23.53 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.745 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 99.9 Cg_exo -43.93 139.72 5.47 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.6 2.2 . . . . 0.0 112.583 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.59 79.75 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.784 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.2 pp -139.42 133.06 38.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.062 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.424 HD21 ' CD1' ' A' ' 27' ' ' TYR . 52.3 mt -57.92 140.01 53.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.086 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.4 ' O ' ' CA ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -159.75 113.66 2.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.705 179.884 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.428 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 4.0 pt-20 -99.62 130.58 45.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.82 158.15 38.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.967 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.96 -66.29 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.653 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.33 137.64 35.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.632 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.701 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 4.0 m-20 -59.92 -34.9 73.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.312 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 t -54.3 -34.1 60.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.083 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.79 -34.46 40.04 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.868 -179.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.475 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.9 t -47.79 171.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.152 0.501 . . . . 0.0 111.37 -179.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 pp -112.85 168.77 9.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.189 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 52.7 -124.98 2.36 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.762 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -122.41 55.19 1.16 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.866 0.365 . . . . 0.0 110.789 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.3 m -130.91 179.18 6.13 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.128 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.441 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 19.9 m -122.09 158.55 25.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.294 0.569 . . . . 0.0 111.78 -179.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.701 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 15.3 m -99.33 133.27 43.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.962 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.42 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 3.6 mt -99.66 144.25 28.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.917 0.389 . . . . 0.0 111.418 -179.258 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -46.35 76.52 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.555 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.42 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -55.26 -24.63 29.09 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.823 0.344 . . . . 0.0 110.646 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.468 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 110.6 66.59 0.55 Allowed Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.671 -0.776 . . . . 0.0 113.304 179.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.468 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 16.8 m-85 -166.73 143.67 4.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.846 0.355 . . . . 0.0 111.151 179.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.18 113.43 25.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.609 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.338 -1.257 . . . . 0.0 112.636 -179.91 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 120.734 0.302 . . . . 0.0 111.325 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.6 m -110.14 70.97 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.156 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.7 p -126.02 130.11 24.08 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -47.03 149.99 3.09 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.491 2.127 . . . . 0.0 112.593 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -77.34 79.7 3.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.636 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.9 mt -133.9 118.38 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.228 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.427 HD23 ' CE1' ' A' ' 27' ' ' TYR . 34.9 mt -57.44 140.1 51.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -162.99 122.07 2.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.786 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.445 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 10.6 pt-20 -99.81 131.74 45.6 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.198 -179.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.83 162.26 40.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.042 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -85.85 -61.77 1.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.694 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -81.85 128.76 34.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.536 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.643 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -54.09 -34.89 61.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.273 -179.516 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.7 t -54.72 -33.91 61.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.796 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -51.38 -34.34 33.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.678 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.492 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -48.61 172.75 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.125 0.488 . . . . 0.0 111.29 -179.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.33 171.01 7.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.229 -179.391 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 50.9 -124.92 2.27 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.752 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -122.97 56.54 1.15 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.942 0.401 . . . . 0.0 110.622 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -131.59 -171.45 2.61 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.069 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.467 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 19.5 m -130.34 160.65 41.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.43 0.633 . . . . 0.0 111.849 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.643 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 13.4 m -99.33 134.96 41.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.901 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.44 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 4.2 mt -99.8 144.72 28.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.005 0.431 . . . . 0.0 111.475 -179.017 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -56.36 -48.14 77.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.518 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.44 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -53.51 -26.28 20.17 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.925 0.393 . . . . 0.0 110.557 -179.848 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.463 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.69 64.81 0.47 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.674 -0.774 . . . . 0.0 113.118 179.045 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.463 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 8.3 m-85 -166.65 145.8 5.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.705 0.288 . . . . 0.0 111.01 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.19 116.8 32.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.639 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.328 -1.262 . . . . 0.0 112.579 179.967 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.885 0.374 . . . . 0.0 111.259 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.7 p -82.17 113.12 20.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.184 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.3 p -101.34 130.23 25.28 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.805 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -41.23 134.82 2.82 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.745 2.297 . . . . 0.0 112.856 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.96 79.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.67 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.1 mt -128.6 131.37 68.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.022 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.439 HD11 ' CD1' ' A' ' 27' ' ' TYR . 3.0 mm? -69.64 137.4 52.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.773 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -163.23 118.75 1.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.675 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.436 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -99.66 131.97 45.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.164 -179.759 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.99 160.21 40.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.8 -52.64 5.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.664 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -89.28 131.9 35.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.566 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.643 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -57.55 -34.88 69.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.216 -179.537 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.2 p -55.38 -33.74 63.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.755 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -51.1 -34.43 30.44 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.626 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.473 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.6 t -49.25 173.35 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.076 0.465 . . . . 0.0 111.141 -179.175 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.89 171.05 8.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.04 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 53.22 -124.78 2.33 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.646 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.41 56.24 1.12 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.775 0.321 . . . . 0.0 110.814 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -134.71 -178.08 4.91 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.202 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.478 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 20.9 m -126.01 162.0 30.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.297 0.57 . . . . 0.0 111.595 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.643 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 16.6 m -99.3 133.83 43.03 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.106 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.45 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 4.0 mt -99.83 144.58 28.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.121 0.486 . . . . 0.0 111.43 -179.049 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -55.48 -46.25 76.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.004 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.45 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 10.7 p-80 -56.08 -23.76 35.87 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.834 0.35 . . . . 0.0 110.874 -179.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.495 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 110.95 65.6 0.53 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.681 -0.771 . . . . 0.0 113.374 178.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.495 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 7.4 m-85 -168.57 146.95 4.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.834 0.349 . . . . 0.0 111.027 179.323 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.21 117.02 32.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.599 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.425 -1.209 . . . . 0.0 112.429 -179.951 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.873 0.368 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.1 m -91.21 138.72 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.017 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.0 p -100.03 130.32 26.48 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.751 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -41.91 150.11 0.24 Allowed 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.841 2.361 . . . . 0.0 112.78 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -81.64 80.64 7.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.077 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.6 mp -146.49 127.22 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.948 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.444 ' CD2' ' CE1' ' A' ' 27' ' ' TYR . 93.9 mt -55.3 140.07 40.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.174 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.13 116.85 3.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.62 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.431 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -99.55 132.52 44.83 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.174 -179.623 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.11 162.43 41.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.931 -179.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.45 -64.56 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.666 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.7 133.83 34.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.557 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.679 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -55.25 -34.86 64.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.333 -179.591 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 m -54.51 -33.96 60.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.738 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -50.6 -34.46 26.06 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.65 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.476 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -49.98 174.11 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.997 0.427 . . . . 0.0 111.129 -179.167 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 pp -117.14 167.99 10.69 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.141 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 52.98 -124.98 2.37 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.643 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -120.74 55.44 1.03 Allowed 'General case' 0 N--CA 1.456 -0.155 0 CA-C-O 120.94 0.4 . . . . 0.0 110.711 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.3 m -132.41 172.52 12.36 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.956 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.443 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 20.4 m -118.63 158.8 19.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.329 0.585 . . . . 0.0 111.764 -179.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.679 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 18.6 m -99.29 133.16 43.99 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.111 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.407 ' HB3' ' NE2' ' A' ' 25' ' ' HIS . 2.4 mt -99.73 144.77 28.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.015 0.436 . . . . 0.0 111.348 -179.166 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.13 -46.17 75.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.532 -179.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.407 ' NE2' ' HB3' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -54.33 -26.07 27.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.811 0.338 . . . . 0.0 110.597 -179.865 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.474 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 111.72 65.74 0.51 Allowed Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.585 -0.817 . . . . 0.0 113.183 179.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.474 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 22.8 m-85 -165.69 145.71 6.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.903 0.382 . . . . 0.0 110.991 179.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.25 110.62 23.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.601 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.344 -1.253 . . . . 0.0 112.582 -179.934 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.856 0.36 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.2 t -109.98 118.59 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.058 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.6 p -100.81 130.13 25.96 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.808 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo -44.47 147.96 1.46 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.541 2.16 . . . . 0.0 112.694 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.62 79.59 2.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.992 0.425 . . . . 0.0 110.701 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.7 mm -131.18 140.04 49.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.053 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.421 HD11 ' CD1' ' A' ' 27' ' ' TYR . 2.9 mm? -72.12 140.01 48.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -164.08 117.89 1.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.796 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.444 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 9.8 pt-20 -99.79 132.47 45.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.258 -179.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -156.17 160.31 39.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.99 -179.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.6 mtpp -83.13 -64.27 1.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.649 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.0 tttm -81.12 130.17 34.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.416 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.67 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -54.27 -34.9 61.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.4 -179.535 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.86 -33.94 57.87 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 179.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -51.23 -34.24 31.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.685 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.486 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.7 t -49.23 173.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.092 0.472 . . . . 0.0 111.174 -179.108 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 pp -112.77 169.16 9.1 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.266 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 50.73 -124.95 2.25 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.795 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -121.5 54.01 1.15 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.818 0.342 . . . . 0.0 110.805 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.3 m -127.14 -173.13 2.82 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.985 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.449 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 18.7 m -130.22 158.89 42.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.367 0.603 . . . . 0.0 111.82 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.67 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 14.9 m -99.39 134.68 41.9 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.932 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.434 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 3.7 mt -99.62 144.63 28.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.862 0.363 . . . . 0.0 111.521 -179.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -55.81 -48.28 75.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.523 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.434 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -53.14 -26.34 16.48 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.835 0.35 . . . . 0.0 110.512 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.469 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.16 66.24 0.5 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.65 -0.786 . . . . 0.0 113.188 179.068 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.469 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 8.0 m-85 -167.14 145.53 4.96 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.775 0.321 . . . . 0.0 110.895 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.07 114.87 27.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.647 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.569 -179.914 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.766 0.317 . . . . 0.0 111.282 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.0 m -95.05 76.97 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 27.4 p -143.42 130.19 10.51 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.82 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 99.8 Cg_exo -43.81 141.08 4.35 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.6 2.2 . . . . 0.0 112.68 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.48 79.46 0.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.634 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -134.68 129.7 52.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.009 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.445 ' CD2' ' CE1' ' A' ' 27' ' ' TYR . 79.8 mt -58.24 140.1 53.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -162.67 111.95 1.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.752 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.431 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 1.6 pt-20 -99.72 130.74 45.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.121 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -153.46 168.14 27.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.006 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.51 -67.86 0.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.663 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -81.06 133.44 35.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.484 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.646 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 3.9 m-20 -54.81 -34.9 63.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.337 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.0 m -54.46 -33.89 60.48 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -51.4 -34.47 34.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.722 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.49 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -48.47 172.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.137 0.494 . . . . 0.0 111.261 -179.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.1 pp -114.02 170.77 8.03 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.055 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 51.5 -124.84 2.29 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.768 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.3 57.09 1.16 Allowed 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 121.003 0.43 . . . . 0.0 110.699 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -131.46 -170.76 2.44 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.081 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.459 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 21.8 m -132.21 159.37 43.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.294 0.569 . . . . 0.0 111.599 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.646 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 17.4 m -99.3 133.04 44.18 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.115 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.433 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 3.4 mt -99.75 144.94 28.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.442 -179.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -55.91 -47.9 76.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.541 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.433 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -53.39 -25.99 17.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.752 0.311 . . . . 0.0 110.557 -179.827 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.467 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 111.83 65.44 0.5 Allowed Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.686 -0.768 . . . . 0.0 113.085 179.079 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.467 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 12.8 m-85 -166.4 145.2 5.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.767 0.317 . . . . 0.0 110.974 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.19 114.45 27.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.695 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.03 0 CA-C-O 118.403 -1.22 . . . . 0.0 112.541 -179.953 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.836 0.351 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 32.5 m -84.22 133.0 30.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.231 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 27.1 p -107.43 130.22 23.14 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.791 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -41.07 134.53 2.64 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.848 2.365 . . . . 0.0 112.845 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -67.04 79.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.0 tp -131.53 127.79 59.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.944 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.426 HD21 ' CE1' ' A' ' 27' ' ' TYR . 60.5 mt -55.75 137.37 49.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -160.5 113.86 2.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.716 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.446 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.8 OUTLIER -99.98 128.96 46.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.157 -179.744 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -156.05 158.05 37.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -82.12 -59.4 2.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.647 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.5 tttp -81.99 130.74 35.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.491 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.671 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -58.73 -35.04 72.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.299 -179.495 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 72.2 m -54.45 -33.79 60.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -52.55 -34.38 49.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.732 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.483 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -46.69 170.84 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.239 0.542 . . . . 0.0 111.539 -178.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 pp -106.55 161.87 14.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.549 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 50.19 -146.16 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.501 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -98.58 59.19 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.754 0.311 . . . . 0.0 110.931 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -130.5 -171.27 2.51 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.455 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 17.0 m -133.97 159.24 42.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.402 0.62 . . . . 0.0 111.847 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.671 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 9.9 m -99.43 134.56 42.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.88 -1.055 . . . . 0.0 109.865 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.431 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 5.7 mt -99.73 143.23 30.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.04 0.448 . . . . 0.0 111.519 -178.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.08 -47.22 78.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.547 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.431 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 1.4 p-80 -55.06 -25.68 32.43 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.854 0.359 . . . . 0.0 110.634 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.475 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.73 64.64 0.47 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.663 -0.78 . . . . 0.0 113.117 179.099 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.475 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 8.2 m-85 -167.21 143.35 4.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.838 0.352 . . . . 0.0 111.108 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.16 117.47 33.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.656 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.49 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 28.2 ptt180 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.972 0.415 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 20.7 t -109.99 97.74 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.249 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.3 p -123.85 130.06 24.57 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.821 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -48.26 155.83 1.86 Allowed 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.524 2.149 . . . . 0.0 112.479 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -81.21 79.57 7.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.089 0.471 . . . . 0.0 110.703 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.4 mm -130.28 122.05 52.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.057 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.44 ' CD2' ' CE1' ' A' ' 27' ' ' TYR . 62.1 mt -57.98 140.07 53.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -164.53 118.68 1.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.727 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.44 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.6 OUTLIER -99.87 130.66 46.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.174 -179.726 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -153.93 163.49 39.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.008 -179.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.42 -66.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.696 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.87 132.71 35.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.59 179.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.663 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.7 OUTLIER -55.52 -34.83 65.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.356 -179.54 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.2 t -54.71 -33.93 61.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.81 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -51.08 -34.49 30.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.673 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.492 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -48.49 172.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.029 0.442 . . . . 0.0 111.396 -179.105 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 pp -110.56 170.58 7.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.156 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 51.44 -124.94 2.3 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.786 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -124.25 54.1 1.38 Allowed 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 120.812 0.339 . . . . 0.0 110.75 179.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -126.81 -168.81 1.92 Allowed 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.097 179.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.454 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 17.9 m -131.73 158.76 43.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.393 0.616 . . . . 0.0 111.985 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.663 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 13.0 m -99.42 135.03 41.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.003 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.436 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 4.2 mt -99.69 143.28 30.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.908 0.385 . . . . 0.0 111.44 -179.237 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -46.39 77.38 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.487 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.436 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -55.79 -25.24 40.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.774 0.321 . . . . 0.0 110.602 -179.77 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.474 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.18 66.15 0.5 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.605 -0.807 . . . . 0.0 113.199 179.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.474 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 8.2 m-85 -167.06 143.92 4.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.766 0.317 . . . . 0.0 111.025 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.1 113.74 26.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.58 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.368 -1.24 . . . . 0.0 112.493 -179.922 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.853 0.359 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.5 m -110.06 140.04 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.7 p -99.88 130.35 26.59 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.685 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -40.93 132.1 2.81 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.724 2.283 . . . . 0.0 112.792 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.403 ' HB2' ' NH1' ' A' ' 5' ' ' ARG . 0.8 OUTLIER -65.45 79.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.754 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.8 tp -132.19 121.39 46.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.427 HD23 ' CD1' ' A' ' 27' ' ' TYR . 72.5 mt -53.91 140.03 32.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.029 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -160.3 120.8 2.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.98 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.441 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 1.8 pt-20 -100.15 129.48 46.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.074 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.49 164.74 38.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.939 0.399 . . . . 0.0 111.073 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.66 -66.33 0.91 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.777 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -80.54 130.63 35.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.528 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.644 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -54.61 -34.91 62.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.503 -179.496 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.4 t -52.84 -33.97 51.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.028 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.13 -34.27 56.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.77 -179.448 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.497 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.7 t -46.87 171.01 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.26 0.552 . . . . 0.0 111.537 -178.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 pp -104.52 157.21 17.32 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.535 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 49.52 -151.25 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.503 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -89.87 58.38 4.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.73 0.3 . . . . 0.0 110.967 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.5 m -129.16 -173.79 3.09 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.46 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 18.5 m -133.98 158.39 42.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.512 0.672 . . . . 0.0 112.093 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.644 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 11.6 m -99.35 135.87 40.13 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.908 179.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.45 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 8.5 mt -99.77 142.87 30.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.089 0.471 . . . . 0.0 111.505 -179.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -46.27 77.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.789 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.45 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 8.0 p-80 -58.43 -22.09 53.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.873 0.368 . . . . 0.0 110.846 -179.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.487 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 110.25 65.04 0.53 Allowed Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.681 -0.771 . . . . 0.0 113.331 179.053 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.487 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 7.7 m-85 -168.39 142.56 3.29 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.787 0.327 . . . . 0.0 110.913 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.23 121.63 41.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.649 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.353 -1.248 . . . . 0.0 112.506 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.84 0.353 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.2 p -100.39 138.41 24.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.0 p -173.57 130.29 0.53 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.788 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_exo -43.06 135.06 5.65 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.619 2.213 . . . . 0.0 112.689 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -68.05 79.62 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.9 mm -131.98 123.29 50.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.031 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.41 HD23 ' CE1' ' A' ' 27' ' ' TYR . 81.4 mt -57.02 139.76 51.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.403 ' O ' ' CA ' ' A' ' 27' ' ' TYR . 1.1 tt -164.47 118.54 1.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.759 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.418 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -99.75 132.2 45.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 -179.636 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.65 162.44 41.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.945 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -84.47 -62.92 1.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.684 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -84.26 132.1 34.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.6 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.66 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 3.9 m-20 -54.02 -34.85 61.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.35 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.2 t -54.54 -33.8 60.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -51.17 -34.33 30.99 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.683 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.486 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -49.17 173.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.071 0.462 . . . . 0.0 111.29 -178.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 pp -113.75 171.59 7.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.14 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 50.91 -124.81 2.26 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.761 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.1 55.46 1.29 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.819 0.343 . . . . 0.0 110.81 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -128.87 -168.66 1.95 Allowed 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.257 -0.428 . . . . 0.0 109.912 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.458 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 19.8 m -133.59 159.62 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.392 0.615 . . . . 0.0 111.821 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.66 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 18.8 m -99.35 134.89 41.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.906 179.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.44 HD12 ' CE1' ' A' ' 25' ' ' HIS . 16.3 mt -99.74 142.54 31.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.049 0.452 . . . . 0.0 111.47 -178.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.82 -46.15 67.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.626 -0.716 . . . . 0.0 112.372 -179.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.44 ' CE1' HD12 ' A' ' 23' ' ' LEU . 7.7 p-80 -58.73 -24.21 61.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.816 0.341 . . . . 0.0 111.019 -179.398 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.496 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.85 68.66 0.52 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.622 -0.799 . . . . 0.0 113.164 179.127 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.496 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 7.9 m-85 -168.69 145.17 3.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.751 0.31 . . . . 0.0 110.898 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.95 113.02 24.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.574 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.32 -1.267 . . . . 0.0 112.504 -179.872 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.1 mm . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.791 0.329 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.959 HD22 ' CE1' ' A' ' 27' ' ' TYR . 88.3 mt -56.56 140.08 47.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -159.09 117.05 2.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.837 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.442 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 16.9 pt-20 -100.22 127.86 46.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -156.01 166.77 32.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.985 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -89.55 -67.16 0.86 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.684 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -75.98 125.85 29.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.45 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.644 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 4.0 m-20 -53.16 -34.92 58.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.338 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.4 -33.9 55.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.083 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -53.61 -34.25 57.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.828 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.484 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -45.95 169.68 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.313 0.578 . . . . 0.0 111.735 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 pp -104.96 160.16 15.24 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.592 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 50.11 -147.82 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.455 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.52 58.8 2.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.72 0.295 . . . . 0.0 110.935 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.418 ' HG ' ' C ' ' A' ' 29' ' ' GLY . 1.2 m -130.87 -172.79 2.91 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.465 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 20.2 m -132.45 159.38 43.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.38 0.61 . . . . 0.0 111.834 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.644 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 8.6 m -99.41 134.91 41.6 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.829 179.527 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.577 HD13 ' NE2' ' A' ' 25' ' ' HIS . 10.0 mt -99.7 143.17 30.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.085 0.469 . . . . 0.0 111.366 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.71 -46.18 81.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.79 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.577 ' NE2' HD13 ' A' ' 23' ' ' LEU . 8.2 p-80 -57.69 -22.52 46.67 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.778 0.323 . . . . 0.0 110.755 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.485 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 110.87 64.79 0.52 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.624 -0.798 . . . . 0.0 113.341 179.002 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.959 ' CE1' HD22 ' A' ' 7' ' ' LEU . 7.7 m-85 -168.21 142.49 3.39 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.824 0.345 . . . . 0.0 111.035 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.09 119.96 38.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.702 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.418 ' C ' ' HG ' ' A' ' 20' ' ' CYS . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.412 -1.215 . . . . 0.0 112.539 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.2 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.881 0.372 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.99 HD22 ' CE1' ' A' ' 27' ' ' TYR . 88.0 mt -56.55 140.07 47.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.825 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -158.46 113.95 2.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.928 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.441 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.2 OUTLIER -100.15 128.86 46.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.107 -179.854 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.52 167.41 30.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.999 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.7 tptp -88.76 -66.67 0.9 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.747 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.0 tttp -78.82 128.71 33.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.44 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.656 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -53.84 -34.97 60.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.461 -179.443 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 m -53.04 -33.95 54.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.93 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -53.15 -34.33 56.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.78 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.493 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -46.44 170.49 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.322 0.582 . . . . 0.0 111.579 -178.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.22 156.49 17.86 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.596 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 49.69 -150.71 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.538 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.53 58.01 4.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.347 . . . . 0.0 110.98 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.5 m -129.28 -176.1 3.78 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.461 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 16.8 m -132.17 158.34 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.409 0.624 . . . . 0.0 111.935 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.656 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 11.6 m -99.34 135.19 41.11 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.953 -1.022 . . . . 0.0 110.008 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.535 HD12 ' O ' ' A' ' 27' ' ' TYR . 7.4 mt -99.76 143.95 29.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.031 0.443 . . . . 0.0 111.441 -179.192 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -56.33 -48.67 76.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.494 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.457 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 1.6 p-80 -54.35 -25.43 24.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.864 0.364 . . . . 0.0 110.569 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.486 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.29 64.6 0.48 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.677 -0.773 . . . . 0.0 113.03 179.194 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.99 ' CE1' HD22 ' A' ' 7' ' ' LEU . 16.7 m-85 -167.73 142.82 3.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.804 0.335 . . . . 0.0 111.002 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -99.24 122.39 42.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.66 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.031 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.453 -179.907 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.9 mt . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 120.783 0.325 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.98 HD22 ' CE1' ' A' ' 27' ' ' TYR . 49.2 mt -58.15 140.01 53.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.968 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.467 HD23 ' SG ' ' A' ' 10' ' ' CYS . 0.3 OUTLIER -164.28 118.82 1.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.788 179.915 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.427 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.7 OUTLIER -99.74 131.58 45.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.202 -179.774 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.467 ' SG ' HD23 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -155.06 162.34 41.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.871 -179.658 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.64 -63.33 1.35 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.667 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.0 tttt -82.45 131.53 35.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.565 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.686 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 3.9 m-20 -54.93 -34.89 63.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.399 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.8 p -54.43 -33.84 60.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.11 -34.42 30.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.664 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.48 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.7 t -49.34 173.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.119 0.485 . . . . 0.0 111.112 -179.149 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.69 172.27 7.34 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.984 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 52.17 -124.78 2.31 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.655 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.88 56.45 1.23 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.721 0.296 . . . . 0.0 110.804 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -132.34 -171.02 2.54 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.464 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 20.9 m -131.46 160.22 42.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.235 0.541 . . . . 0.0 111.701 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.686 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 16.6 m -99.33 134.16 42.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.098 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.496 HD12 ' CB ' ' A' ' 27' ' ' TYR . 3.5 mt -99.8 144.86 28.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.997 0.427 . . . . 0.0 111.39 -179.12 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -55.72 -47.97 75.96 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.646 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.448 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -53.23 -26.54 18.18 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.901 0.381 . . . . 0.0 110.537 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.469 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.39 65.99 0.49 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.647 -0.787 . . . . 0.0 113.108 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.98 ' CE1' HD22 ' A' ' 7' ' ' LEU . 8.3 m-85 -166.65 145.51 5.46 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.78 0.324 . . . . 0.0 111.014 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.17 114.25 26.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.491 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.468 -179.911 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.8 mm . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.85 0.357 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.98 HD22 ' CE1' ' A' ' 27' ' ' TYR . 84.0 mt -57.43 135.65 56.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.996 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -163.83 113.06 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.863 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.416 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 9.5 pt-20 -99.64 131.82 45.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.158 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.26 163.28 40.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -85.83 -63.63 1.29 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.599 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.47 130.63 35.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.629 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.677 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 4.0 m-20 -54.65 -34.9 62.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.274 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.19 -33.84 59.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.889 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -51.76 -34.37 39.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.725 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.483 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.7 t -48.47 172.47 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.185 0.517 . . . . 0.0 111.167 -179.093 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 pp -115.4 170.92 8.04 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.167 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 52.81 -124.87 2.35 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.603 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -123.55 56.0 1.22 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.828 0.347 . . . . 0.0 110.78 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -131.87 -170.07 2.33 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.094 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.472 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 27.6 m -132.28 160.89 42.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.324 0.583 . . . . 0.0 111.733 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.677 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 16.4 m -99.31 133.63 43.34 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.895 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.611 HD13 ' CE1' ' A' ' 25' ' ' HIS . 3.8 mt -99.79 144.46 28.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.02 0.438 . . . . 0.0 111.534 -178.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.53 -46.11 77.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.979 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.611 ' CE1' HD13 ' A' ' 23' ' ' LEU . 10.9 p-80 -56.26 -23.71 37.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.86 0.362 . . . . 0.0 110.839 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.492 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 110.63 65.6 0.53 Allowed Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.625 -0.798 . . . . 0.0 113.306 178.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.98 ' CE1' HD22 ' A' ' 7' ' ' LEU . 7.1 m-85 -168.64 146.54 4.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.785 0.326 . . . . 0.0 110.853 179.376 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.04 117.36 33.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.608 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.421 ' O ' HG22 ' A' ' 21' ' ' VAL . . . . . . . . 0 C--O 1.25 1.137 0 CA-C-O 118.339 -1.256 . . . . 0.0 112.559 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.6 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.733 0.302 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.98 HD22 ' CE1' ' A' ' 27' ' ' TYR . 88.5 mt -57.07 140.16 50.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.85 119.58 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.801 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.442 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 13.6 pt-20 -99.7 132.33 45.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.257 -179.706 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.8 161.16 40.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.977 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.97 -66.18 0.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.803 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.55 130.38 35.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.618 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.671 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -54.24 -37.89 65.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.262 -179.482 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 65.0 m -51.9 -33.86 38.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.816 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -50.94 -34.49 28.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.528 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.479 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -49.44 173.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.086 0.469 . . . . 0.0 111.098 -179.103 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.668 ' H ' HD23 ' A' ' 17' ' ' LEU . 2.5 pt? -116.61 173.12 6.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.994 -179.55 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 51.13 -124.71 2.27 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.74 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.71 56.97 1.2 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.814 0.34 . . . . 0.0 110.884 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.2 m -133.21 -172.92 3.06 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.074 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.467 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 21.2 m -130.05 160.02 41.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.362 0.601 . . . . 0.0 111.603 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.671 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 16.2 m -99.36 132.39 44.71 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.005 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.503 HD12 ' HB2' ' A' ' 27' ' ' TYR . 2.8 mt -99.7 145.41 27.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.947 0.403 . . . . 0.0 111.554 -179.036 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -56.17 -47.17 78.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.525 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.466 ' NE2' HD13 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -53.41 -26.05 18.18 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.89 0.376 . . . . 0.0 110.588 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.468 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 111.68 65.17 0.5 Allowed Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.702 -0.761 . . . . 0.0 113.156 179.037 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.98 ' CE1' HD22 ' A' ' 7' ' ' LEU . 30.3 m-85 -165.89 146.08 6.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.924 0.392 . . . . 0.0 111.012 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -99.28 112.98 25.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.62 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.337 -1.257 . . . . 0.0 112.514 179.982 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.6 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.797 0.332 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.848 HD22 ' CE1' ' A' ' 27' ' ' TYR . 58.6 mt -60.52 140.12 57.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.96 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.41 ' O ' ' CA ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -158.84 114.83 2.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.712 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.425 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -99.6 131.35 45.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.264 -179.661 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -152.12 163.28 39.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.91 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -83.1 -61.87 1.74 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.756 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.7 tptp -86.96 137.95 31.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.581 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.706 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -58.79 -35.95 73.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.752 0.31 . . . . 0.0 111.013 -179.718 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.5 m -54.92 -33.84 62.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.418 179.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -50.02 -34.5 21.52 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.729 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.48 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.9 t -49.82 172.3 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.057 0.456 . . . . 0.0 111.284 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.446 HD12 ' CB ' ' A' ' 18' ' ' ALA . 4.2 pp -115.13 171.45 7.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.674 -0.693 . . . . 0.0 111.023 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.446 ' CB ' HD12 ' A' ' 17' ' ' LEU . . . 52.68 -124.83 2.34 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.724 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.14 57.26 1.22 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.887 0.375 . . . . 0.0 110.709 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.3 m -133.53 -178.06 4.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.058 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.45 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 19.3 m -124.82 158.97 31.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.329 0.585 . . . . 0.0 111.721 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.706 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 17.6 m -99.46 134.02 42.93 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.131 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.663 HD12 ' HB2' ' A' ' 27' ' ' TYR . 3.1 mt -99.84 143.57 29.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.269 -179.134 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -54.55 -47.33 73.34 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.523 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.425 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -54.4 -26.94 33.43 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.869 0.366 . . . . 0.0 110.616 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.462 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 113.27 67.91 0.5 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.674 -0.774 . . . . 0.0 113.115 179.226 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.848 ' CE1' HD22 ' A' ' 7' ' ' LEU . 10.5 m-85 -166.21 144.22 5.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.738 0.304 . . . . 0.0 111.043 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -99.21 108.11 20.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.562 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.439 -1.201 . . . . 0.0 112.461 -179.862 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.3 mm . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.803 0.335 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.856 HD22 ' CE1' ' A' ' 27' ' ' TYR . 60.6 mt -59.2 140.05 56.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.974 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.432 HD23 ' SG ' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -161.11 113.29 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.811 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.442 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 1.3 pp20? -99.9 129.24 45.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.202 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.432 ' SG ' HD23 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -155.29 165.84 35.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.074 -179.799 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? -88.24 -66.11 0.95 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.701 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -78.57 127.96 32.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.452 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.656 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -52.86 -34.88 56.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.403 -179.44 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.3 m -54.19 -33.95 59.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.9 -34.22 40.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.741 -179.497 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.494 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -47.75 172.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.189 0.518 . . . . 0.0 111.347 -179.031 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -108.28 169.47 8.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.268 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 47.72 -125.09 1.71 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.941 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -120.24 54.15 1.06 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.039 0.447 . . . . 0.0 110.599 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.5 m -126.99 -175.25 3.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.014 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.464 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 18.4 m -127.17 159.72 36.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.382 0.61 . . . . 0.0 111.834 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.656 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 10.4 m -99.4 135.43 40.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.884 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.492 HD12 ' O ' ' A' ' 27' ' ' TYR . 6.5 mt -99.72 143.63 29.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.96 0.409 . . . . 0.0 111.519 -179.134 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -56.28 -48.34 76.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.532 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.443 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 1.5 p-80 -54.54 -25.3 25.07 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.877 0.37 . . . . 0.0 110.62 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.479 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.07 65.96 0.5 Allowed Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.702 -0.761 . . . . 0.0 113.155 179.108 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.856 ' CE1' HD22 ' A' ' 7' ' ' LEU . 8.4 m-85 -167.75 142.89 3.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.756 0.312 . . . . 0.0 111.074 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.13 119.13 37.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.671 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.439 -1.2 . . . . 0.0 112.555 180.0 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.8 mt . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 120.888 0.375 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.8 HD22 ' CD1' ' A' ' 27' ' ' TYR . 82.0 mt -54.02 140.09 32.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.401 ' O ' ' CA ' ' A' ' 27' ' ' TYR . 1.4 tt -158.97 125.63 4.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.792 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.427 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.9 OUTLIER -99.7 131.96 45.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.163 -179.651 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -153.58 161.74 41.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.91 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.11 -59.96 2.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.642 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.77 133.91 33.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.626 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.685 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -56.03 -34.83 66.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.244 -179.581 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.68 -33.98 61.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 179.603 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.33 -34.56 24.21 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.578 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.46 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.5 t -50.68 174.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.014 0.435 . . . . 0.0 111.029 -179.226 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 pp -118.81 169.13 10.11 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.135 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 53.06 -124.89 2.35 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.578 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.78 54.33 1.08 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.836 0.351 . . . . 0.0 110.754 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 m -131.9 172.9 11.75 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.301 -0.409 . . . . 0.0 109.904 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.482 HG22 ' OXT' ' A' ' 29' ' ' GLY . 23.2 m -119.79 160.24 20.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.348 0.594 . . . . 0.0 111.714 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.685 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 17.5 m -99.19 133.56 43.3 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.977 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.539 HD12 ' HB2' ' A' ' 27' ' ' TYR . 2.7 mt -99.76 144.56 28.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.987 0.422 . . . . 0.0 111.359 -179.128 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -54.86 -46.71 74.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.45 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.467 ' NE2' HD13 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -53.72 -27.05 25.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.913 0.387 . . . . 0.0 110.528 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.465 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.27 65.9 0.5 Allowed Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.686 -0.769 . . . . 0.0 113.091 179.171 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.8 ' CD1' HD22 ' A' ' 7' ' ' LEU . 32.2 m-85 -165.78 144.99 6.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.867 0.365 . . . . 0.0 111.163 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.16 111.66 23.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.561 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.482 ' OXT' HG22 ' A' ' 21' ' ' VAL . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.55 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.0 pt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.867 0.365 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.98 HD22 ' CE1' ' A' ' 27' ' ' TYR . 68.4 mt -57.49 140.08 51.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -163.65 115.68 1.43 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.431 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 14.3 pt-20 -99.74 132.45 45.07 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.04 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -152.27 162.72 40.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.982 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.62 -56.59 3.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.584 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -92.01 140.05 30.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.507 179.707 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.704 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -60.41 -34.83 74.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.339 -179.548 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.13 -34.12 59.55 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.231 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 2.0 m-20 -52.04 -34.3 42.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.818 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.462 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.6 t -48.47 172.6 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.126 0.488 . . . . 0.0 111.255 -179.069 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 pp -116.38 169.69 9.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.169 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 52.24 -124.82 2.32 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.666 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -121.49 55.43 1.08 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.861 0.362 . . . . 0.0 110.78 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.2 m -132.47 179.93 5.83 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.001 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.468 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 23.0 m -124.96 160.71 29.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.357 0.598 . . . . 0.0 111.777 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.704 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 18.1 m -99.22 133.37 43.62 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.054 -0.976 . . . . 0.0 109.953 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.654 HD13 ' CE1' ' A' ' 25' ' ' HIS . 3.8 mt -99.7 144.52 28.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.02 0.438 . . . . 0.0 111.483 -179.127 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -55.08 -45.65 75.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.031 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.654 ' CE1' HD13 ' A' ' 23' ' ' LEU . 11.3 p-80 -56.46 -23.54 39.63 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.712 0.291 . . . . 0.0 110.744 -179.494 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.485 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 110.5 65.84 0.54 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.603 -0.808 . . . . 0.0 113.406 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.98 ' CE1' HD22 ' A' ' 7' ' ' LEU . 7.2 m-85 -168.44 147.41 4.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.827 0.346 . . . . 0.0 110.753 179.38 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.08 115.48 29.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.728 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.4 ' O ' HG22 ' A' ' 21' ' ' VAL . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.415 -1.214 . . . . 0.0 112.481 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.705 HD11 ' CD2' ' A' ' 17' ' ' LEU . 2.2 pt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.774 0.321 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.888 HD22 ' CE1' ' A' ' 27' ' ' TYR . 93.8 mt -58.66 135.06 57.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -162.8 116.76 1.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.82 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.435 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -99.91 130.62 46.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.137 -179.776 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.81 159.87 40.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.019 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -83.3 -58.11 2.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.681 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -85.52 132.04 34.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.705 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.702 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 3.9 m-20 -57.67 -34.9 69.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.154 -179.589 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.2 m -54.43 -33.68 59.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.727 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -52.42 -34.36 48.04 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.65 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.497 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.7 t -47.28 171.12 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.27 0.557 . . . . 0.0 111.57 -178.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.705 ' CD2' HD11 ' A' ' 6' ' ' ILE . 3.4 pp -102.93 158.09 16.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.532 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 49.46 -151.32 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.524 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.98 58.62 3.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.648 0.261 . . . . 0.0 110.949 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.2 m -128.49 -172.53 2.73 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.456 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 16.5 m -133.39 158.89 43.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.56 0.695 . . . . 0.0 112.099 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.702 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 9.4 m -99.44 138.12 36.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.867 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.592 HD13 ' NE2' ' A' ' 25' ' ' HIS . 8.2 mt -99.75 143.0 30.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.051 0.453 . . . . 0.0 111.706 -178.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -55.77 -48.24 75.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.71 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.592 ' NE2' HD13 ' A' ' 23' ' ' LEU . 6.8 p-80 -56.61 -23.21 39.38 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.786 0.327 . . . . 0.0 110.708 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.496 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 111.08 66.02 0.53 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.634 -0.793 . . . . 0.0 113.224 179.072 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.888 ' CE1' HD22 ' A' ' 7' ' ' LEU . 8.1 m-85 -168.91 143.26 3.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.831 0.348 . . . . 0.0 111.011 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -99.17 123.6 43.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.575 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.324 -1.265 . . . . 0.0 112.543 -179.921 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.415 ' O ' HD12 ' A' ' 6' ' ' ILE . 2.2 pp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.825 0.345 . . . . 0.0 111.062 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.914 HD22 ' CE1' ' A' ' 27' ' ' TYR . 52.3 mt -57.92 140.01 53.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.086 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.411 HD13 ' CD1' ' A' ' 6' ' ' ILE . 0.1 OUTLIER -159.75 113.66 2.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.705 179.884 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.428 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 4.0 pt-20 -99.62 130.58 45.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.82 158.15 38.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.967 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.96 -66.29 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.653 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.33 137.64 35.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.632 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.719 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 4.0 m-20 -59.92 -34.9 73.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.312 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 t -54.3 -34.1 60.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.083 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.79 -34.46 40.04 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.868 -179.437 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.475 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.9 t -47.79 171.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.152 0.501 . . . . 0.0 111.37 -179.026 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.402 HD21 HD11 ' A' ' 6' ' ' ILE . 3.9 pp -112.85 168.77 9.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.189 -179.491 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 52.7 -124.98 2.36 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.762 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -122.41 55.19 1.16 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.866 0.365 . . . . 0.0 110.789 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.3 m -130.91 179.18 6.13 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.128 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.446 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 19.9 m -122.09 158.55 25.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.294 0.569 . . . . 0.0 111.78 -179.696 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.719 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 15.3 m -99.33 133.27 43.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.962 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.507 HD12 ' CB ' ' A' ' 27' ' ' TYR . 3.6 mt -99.66 144.25 28.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.917 0.389 . . . . 0.0 111.418 -179.258 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -46.35 76.52 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.555 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.454 ' NE2' HD13 ' A' ' 23' ' ' LEU . 0.9 OUTLIER -55.26 -24.63 29.09 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.823 0.344 . . . . 0.0 110.646 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.468 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 110.6 66.59 0.55 Allowed Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.671 -0.776 . . . . 0.0 113.304 179.149 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.914 ' CE1' HD22 ' A' ' 7' ' ' LEU . 16.8 m-85 -166.73 143.67 4.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.846 0.355 . . . . 0.0 111.151 179.536 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.18 113.43 25.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.609 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.338 -1.257 . . . . 0.0 112.636 -179.91 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.9 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.784 0.326 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.928 HD22 ' CE1' ' A' ' 27' ' ' TYR . 34.9 mt -57.44 140.1 51.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.401 HD13 ' CD2' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -162.99 122.07 2.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.786 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.445 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 10.6 pt-20 -99.81 131.74 45.6 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.198 -179.712 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.83 162.26 40.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.042 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -85.85 -61.77 1.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.694 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -81.85 128.76 34.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.536 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.67 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -54.09 -34.89 61.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.273 -179.516 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.7 t -54.72 -33.91 61.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.796 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -51.38 -34.34 33.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.678 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.492 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -48.61 172.75 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.125 0.488 . . . . 0.0 111.29 -179.047 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.401 ' CD2' HD13 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -113.33 171.01 7.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.229 -179.391 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 50.9 -124.92 2.27 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.752 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -122.97 56.54 1.15 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.942 0.401 . . . . 0.0 110.622 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -131.59 -171.45 2.61 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.069 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.472 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 19.5 m -130.34 160.65 41.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.43 0.633 . . . . 0.0 111.849 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.67 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 13.4 m -99.33 134.96 41.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.901 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.457 HD12 ' CB ' ' A' ' 27' ' ' TYR . 4.2 mt -99.8 144.72 28.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.005 0.431 . . . . 0.0 111.475 -179.017 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -56.36 -48.14 77.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.518 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.456 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -53.51 -26.28 20.17 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.925 0.393 . . . . 0.0 110.557 -179.848 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.463 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.69 64.81 0.47 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.674 -0.774 . . . . 0.0 113.118 179.045 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.928 ' CE1' HD22 ' A' ' 7' ' ' LEU . 8.3 m-85 -166.65 145.8 5.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.705 0.288 . . . . 0.0 111.01 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.19 116.8 32.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.639 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.328 -1.262 . . . . 0.0 112.579 179.967 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.1 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.82 0.343 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.716 HD12 ' CE1' ' A' ' 27' ' ' TYR . 3.0 mm? -69.64 137.4 52.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.773 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -163.23 118.75 1.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.675 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.436 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -99.66 131.97 45.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.164 -179.759 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.99 160.21 40.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.639 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.8 -52.64 5.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.664 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -89.28 131.9 35.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.566 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.672 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -57.55 -34.88 69.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.216 -179.537 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.2 p -55.38 -33.74 63.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.755 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -51.1 -34.43 30.44 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.626 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.473 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.6 t -49.25 173.35 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.076 0.465 . . . . 0.0 111.141 -179.175 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.89 171.05 8.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.04 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 53.22 -124.78 2.33 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.646 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.41 56.24 1.12 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.775 0.321 . . . . 0.0 110.814 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -134.71 -178.08 4.91 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.202 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.481 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 20.9 m -126.01 162.0 30.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.297 0.57 . . . . 0.0 111.595 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.672 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 16.6 m -99.3 133.83 43.03 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.106 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.628 HD13 ' CE1' ' A' ' 25' ' ' HIS . 4.0 mt -99.83 144.58 28.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.121 0.486 . . . . 0.0 111.43 -179.049 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -55.48 -46.25 76.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.004 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.628 ' CE1' HD13 ' A' ' 23' ' ' LEU . 10.7 p-80 -56.08 -23.76 35.87 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.834 0.35 . . . . 0.0 110.874 -179.583 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.495 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 110.95 65.6 0.53 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.681 -0.771 . . . . 0.0 113.374 178.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.716 ' CE1' HD12 ' A' ' 7' ' ' LEU . 7.4 m-85 -168.57 146.95 4.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.834 0.349 . . . . 0.0 111.027 179.323 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.21 117.02 32.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.599 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.425 -1.209 . . . . 0.0 112.429 -179.951 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.475 ' N ' HD12 ' A' ' 6' ' ' ILE . 4.6 mp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.878 0.371 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.967 HD22 ' CE1' ' A' ' 27' ' ' TYR . 93.9 mt -55.3 140.07 40.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.174 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.13 116.85 3.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.62 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.431 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -99.55 132.52 44.83 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.174 -179.623 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.11 162.43 41.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.931 -179.602 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.45 -64.56 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.666 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.7 133.83 34.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.557 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.694 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -55.25 -34.86 64.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.333 -179.591 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 m -54.51 -33.96 60.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.738 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -50.6 -34.46 26.06 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.65 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.476 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -49.98 174.11 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.997 0.427 . . . . 0.0 111.129 -179.167 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 pp -117.14 167.99 10.69 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.141 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 52.98 -124.98 2.37 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.643 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -120.74 55.44 1.03 Allowed 'General case' 0 N--CA 1.456 -0.155 0 CA-C-O 120.94 0.4 . . . . 0.0 110.711 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.3 m -132.41 172.52 12.36 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.956 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.444 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 20.4 m -118.63 158.8 19.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.329 0.585 . . . . 0.0 111.764 -179.639 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.694 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 18.6 m -99.29 133.16 43.99 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.111 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.622 HD12 ' HB2' ' A' ' 27' ' ' TYR . 2.4 mt -99.73 144.77 28.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.015 0.436 . . . . 0.0 111.348 -179.166 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.13 -46.17 75.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.532 -179.673 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.443 ' NE2' HD13 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -54.33 -26.07 27.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.811 0.338 . . . . 0.0 110.597 -179.865 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.474 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 111.72 65.74 0.51 Allowed Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.585 -0.817 . . . . 0.0 113.183 179.117 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.967 ' CE1' HD22 ' A' ' 7' ' ' LEU . 22.8 m-85 -165.69 145.71 6.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.903 0.382 . . . . 0.0 110.991 179.571 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.25 110.62 23.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.601 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.344 -1.253 . . . . 0.0 112.582 -179.934 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.7 mm . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.803 0.335 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.729 HD12 ' CE1' ' A' ' 27' ' ' TYR . 2.9 mm? -72.12 140.01 48.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -164.08 117.89 1.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.796 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.444 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 9.8 pt-20 -99.79 132.47 45.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.258 -179.598 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -156.17 160.31 39.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.99 -179.745 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.6 mtpp -83.13 -64.27 1.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.649 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.0 tttm -81.12 130.17 34.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.416 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.697 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -54.27 -34.9 61.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.4 -179.535 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.86 -33.94 57.87 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 179.49 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -51.23 -34.24 31.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.685 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.486 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.7 t -49.23 173.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.092 0.472 . . . . 0.0 111.174 -179.108 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.51 HD12 ' CB ' ' A' ' 18' ' ' ALA . 3.9 pp -112.77 169.16 9.1 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.266 -179.382 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.51 ' CB ' HD12 ' A' ' 17' ' ' LEU . . . 50.73 -124.95 2.25 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.795 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -121.5 54.01 1.15 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.818 0.342 . . . . 0.0 110.805 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.3 m -127.14 -173.13 2.82 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.985 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.45 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 18.7 m -130.22 158.89 42.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.367 0.603 . . . . 0.0 111.82 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.697 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 14.9 m -99.39 134.68 41.9 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.932 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.491 HD12 ' CB ' ' A' ' 27' ' ' TYR . 3.7 mt -99.62 144.63 28.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.862 0.363 . . . . 0.0 111.521 -179.151 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -55.81 -48.28 75.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.523 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.451 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -53.14 -26.34 16.48 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.835 0.35 . . . . 0.0 110.512 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.469 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.16 66.24 0.5 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.65 -0.786 . . . . 0.0 113.188 179.068 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.729 ' CE1' HD12 ' A' ' 7' ' ' LEU . 8.0 m-85 -167.14 145.53 4.96 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.775 0.321 . . . . 0.0 110.895 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.07 114.87 27.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.647 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.569 -179.914 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.76 0.314 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.978 HD22 ' CE1' ' A' ' 27' ' ' TYR . 79.8 mt -58.24 140.1 53.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -162.67 111.95 1.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.752 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.431 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 1.6 pt-20 -99.72 130.74 45.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.121 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -153.46 168.14 27.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.006 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.51 -67.86 0.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.663 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -81.06 133.44 35.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.484 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.675 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 3.9 m-20 -54.81 -34.9 63.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.337 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.0 m -54.46 -33.89 60.48 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -51.4 -34.47 34.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.722 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.49 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -48.47 172.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.137 0.494 . . . . 0.0 111.261 -179.007 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.1 pp -114.02 170.77 8.03 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.055 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 51.5 -124.84 2.29 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.768 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.3 57.09 1.16 Allowed 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 121.003 0.43 . . . . 0.0 110.699 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -131.46 -170.76 2.44 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.081 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.494 HG22 ' OXT' ' A' ' 29' ' ' GLY . 21.8 m -132.21 159.37 43.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.294 0.569 . . . . 0.0 111.599 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.675 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 17.4 m -99.3 133.04 44.18 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.115 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.479 HD12 ' CB ' ' A' ' 27' ' ' TYR . 3.4 mt -99.75 144.94 28.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.442 -179.186 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -55.91 -47.9 76.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.541 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.452 ' NE2' HD13 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -53.39 -25.99 17.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.752 0.311 . . . . 0.0 110.557 -179.827 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.467 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 111.83 65.44 0.5 Allowed Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.686 -0.768 . . . . 0.0 113.085 179.079 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.978 ' CE1' HD22 ' A' ' 7' ' ' LEU . 12.8 m-85 -166.4 145.2 5.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.767 0.317 . . . . 0.0 110.974 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 0.5 OUTLIER -99.19 114.45 27.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.695 179.92 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.494 ' OXT' HG22 ' A' ' 21' ' ' VAL . . . . . . . . 0 C--O 1.248 1.03 0 CA-C-O 118.403 -1.22 . . . . 0.0 112.541 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.0 tp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.821 0.344 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.888 HD22 ' CE1' ' A' ' 27' ' ' TYR . 60.5 mt -55.75 137.37 49.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -160.5 113.86 2.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.716 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.446 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.8 OUTLIER -99.98 128.96 46.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.157 -179.744 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -156.05 158.05 37.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -82.12 -59.4 2.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.647 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.5 tttp -81.99 130.74 35.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.491 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.686 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -58.73 -35.04 72.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.299 -179.495 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 72.2 m -54.45 -33.79 60.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -52.55 -34.38 49.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.732 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.483 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -46.69 170.84 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.239 0.542 . . . . 0.0 111.539 -178.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 pp -106.55 161.87 14.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.549 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 50.19 -146.16 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.501 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -98.58 59.19 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.754 0.311 . . . . 0.0 110.931 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.403 ' HG ' ' C ' ' A' ' 29' ' ' GLY . 0.9 OUTLIER -130.5 -171.27 2.51 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.574 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.459 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 17.0 m -133.97 159.24 42.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.402 0.62 . . . . 0.0 111.847 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.686 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 9.9 m -99.43 134.56 42.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.88 -1.055 . . . . 0.0 109.865 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 27' ' ' TYR . 5.7 mt -99.73 143.23 30.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.04 0.448 . . . . 0.0 111.519 -178.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.08 -47.22 78.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.547 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.445 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 1.4 p-80 -55.06 -25.68 32.43 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.854 0.359 . . . . 0.0 110.634 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.475 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.73 64.64 0.47 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.663 -0.78 . . . . 0.0 113.117 179.099 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.888 ' CE1' HD22 ' A' ' 7' ' ' LEU . 8.2 m-85 -167.21 143.35 4.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.838 0.352 . . . . 0.0 111.108 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.16 117.47 33.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.656 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.403 ' C ' ' HG ' ' A' ' 20' ' ' CYS . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.4 mm . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.837 0.351 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.988 HD22 ' CE1' ' A' ' 27' ' ' TYR . 62.1 mt -57.98 140.07 53.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -164.53 118.68 1.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.727 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.44 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.6 OUTLIER -99.87 130.66 46.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.174 -179.726 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -153.93 163.49 39.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.008 -179.674 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.42 -66.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.696 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.87 132.71 35.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.59 179.727 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.691 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.7 OUTLIER -55.52 -34.83 65.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.356 -179.54 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.2 t -54.71 -33.93 61.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.81 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -51.08 -34.49 30.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.673 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.492 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -48.49 172.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.029 0.442 . . . . 0.0 111.396 -179.105 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 pp -110.56 170.58 7.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.156 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 51.44 -124.94 2.3 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.786 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -124.25 54.1 1.38 Allowed 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 120.812 0.339 . . . . 0.0 110.75 179.691 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -126.81 -168.81 1.92 Allowed 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.097 179.733 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.457 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 17.9 m -131.73 158.76 43.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.393 0.616 . . . . 0.0 111.985 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.691 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 13.0 m -99.42 135.03 41.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.003 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.555 HD12 ' CB ' ' A' ' 27' ' ' TYR . 4.2 mt -99.69 143.28 30.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.908 0.385 . . . . 0.0 111.44 -179.237 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -46.39 77.38 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.487 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.452 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -55.79 -25.24 40.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.774 0.321 . . . . 0.0 110.602 -179.77 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.474 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.18 66.15 0.5 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.605 -0.807 . . . . 0.0 113.199 179.146 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.988 ' CE1' HD22 ' A' ' 7' ' ' LEU . 8.2 m-85 -167.06 143.92 4.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.766 0.317 . . . . 0.0 111.025 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.1 113.74 26.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.58 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.368 -1.24 . . . . 0.0 112.493 -179.922 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.476 ' O ' HG23 ' A' ' 6' ' ' ILE . 7.8 tp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.864 0.364 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.439 HD22 ' CD1' ' A' ' 27' ' ' TYR . 72.5 mt -53.91 140.03 32.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.029 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -160.3 120.8 2.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.98 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.441 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 1.8 pt-20 -100.15 129.48 46.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.074 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.49 164.74 38.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.939 0.399 . . . . 0.0 111.073 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.66 -66.33 0.91 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.777 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -80.54 130.63 35.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.528 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.672 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -54.61 -34.91 62.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.503 -179.496 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.4 t -52.84 -33.97 51.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.028 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.13 -34.27 56.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.77 -179.448 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.497 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.7 t -46.87 171.01 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.26 0.552 . . . . 0.0 111.537 -178.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 pp -104.52 157.21 17.32 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.535 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 49.52 -151.25 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.503 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -89.87 58.38 4.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.73 0.3 . . . . 0.0 110.967 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.5 m -129.16 -173.79 3.09 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.458 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 18.5 m -133.98 158.39 42.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.512 0.672 . . . . 0.0 112.093 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.672 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 11.6 m -99.35 135.87 40.13 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.908 179.55 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.588 HD13 ' NE2' ' A' ' 25' ' ' HIS . 8.5 mt -99.77 142.87 30.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.089 0.471 . . . . 0.0 111.505 -179.074 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -46.27 77.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.789 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.588 ' NE2' HD13 ' A' ' 23' ' ' LEU . 8.0 p-80 -58.43 -22.09 53.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.873 0.368 . . . . 0.0 110.846 -179.664 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.487 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 110.25 65.04 0.53 Allowed Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.681 -0.771 . . . . 0.0 113.331 179.053 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.487 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 7.7 m-85 -168.39 142.56 3.29 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.787 0.327 . . . . 0.0 110.913 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.23 121.63 41.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.649 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.353 -1.248 . . . . 0.0 112.506 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.9 mm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.793 0.33 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.935 HD22 ' CE1' ' A' ' 27' ' ' TYR . 81.4 mt -57.02 139.76 51.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.403 ' O ' ' CA ' ' A' ' 27' ' ' TYR . 1.1 tt -164.47 118.54 1.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.759 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.418 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -99.75 132.2 45.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 -179.636 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.65 162.44 41.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.945 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -84.47 -62.92 1.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.684 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -84.26 132.1 34.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.6 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.691 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 3.9 m-20 -54.02 -34.85 61.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.35 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.2 t -54.54 -33.8 60.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -51.17 -34.33 30.99 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.683 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.486 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -49.17 173.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.071 0.462 . . . . 0.0 111.29 -178.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.542 HD12 ' C ' ' A' ' 17' ' ' LEU . 4.5 pp -113.75 171.59 7.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.14 -179.408 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.462 ' CB ' HD12 ' A' ' 17' ' ' LEU . . . 50.91 -124.81 2.26 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.761 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.1 55.46 1.29 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.819 0.343 . . . . 0.0 110.81 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -128.87 -168.66 1.95 Allowed 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.257 -0.428 . . . . 0.0 109.912 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.461 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 19.8 m -133.59 159.62 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.392 0.615 . . . . 0.0 111.821 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.691 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 18.8 m -99.35 134.89 41.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.906 179.572 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.499 HD13 ' CE1' ' A' ' 25' ' ' HIS . 16.3 mt -99.74 142.54 31.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.049 0.452 . . . . 0.0 111.47 -178.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.82 -46.15 67.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.626 -0.716 . . . . 0.0 112.372 -179.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.499 ' CE1' HD13 ' A' ' 23' ' ' LEU . 7.7 p-80 -58.73 -24.21 61.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.816 0.341 . . . . 0.0 111.019 -179.398 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.496 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.85 68.66 0.52 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.622 -0.799 . . . . 0.0 113.164 179.127 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.935 ' CE1' HD22 ' A' ' 7' ' ' LEU . 7.9 m-85 -168.69 145.17 3.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.751 0.31 . . . . 0.0 110.898 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.95 113.02 24.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.574 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.32 -1.267 . . . . 0.0 112.504 -179.872 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.789 0.328 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.5 m -101.46 138.07 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.3 p -100.41 130.28 26.1 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.77 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -42.71 148.17 0.5 Allowed 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.727 2.285 . . . . 0.0 112.695 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.572 ' O ' HD13 ' A' ' 6' ' ' ILE . 2.6 tpt180 -73.94 79.6 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.647 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.572 HD13 ' O ' ' A' ' 5' ' ' ARG . 25.1 mm -133.66 122.55 43.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.142 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.959 HD22 ' CE1' ' A' ' 27' ' ' TYR . 88.3 mt -56.56 140.08 47.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -159.09 117.05 2.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.837 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.442 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 16.9 pt-20 -100.22 127.86 46.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -156.01 166.77 32.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.985 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -89.55 -67.16 0.86 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.684 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -75.98 125.85 29.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.45 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.644 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 4.0 m-20 -53.16 -34.92 58.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.338 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.4 -33.9 55.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.083 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -53.61 -34.25 57.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.828 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.484 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -45.95 169.68 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.313 0.578 . . . . 0.0 111.735 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 pp -104.96 160.16 15.24 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.592 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 50.11 -147.82 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.455 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.52 58.8 2.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.72 0.295 . . . . 0.0 110.935 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.2 m -130.87 -172.79 2.91 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.465 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 20.2 m -132.45 159.38 43.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.38 0.61 . . . . 0.0 111.834 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.644 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 8.6 m -99.41 134.91 41.6 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.829 179.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.577 HD13 ' NE2' ' A' ' 25' ' ' HIS . 10.0 mt -99.7 143.17 30.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.085 0.469 . . . . 0.0 111.366 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.71 -46.18 81.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.79 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.577 ' NE2' HD13 ' A' ' 23' ' ' LEU . 8.2 p-80 -57.69 -22.52 46.67 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.778 0.323 . . . . 0.0 110.755 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.485 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 110.87 64.79 0.52 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.624 -0.798 . . . . 0.0 113.341 179.002 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.959 ' CE1' HD22 ' A' ' 7' ' ' LEU . 7.7 m-85 -168.21 142.49 3.39 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.824 0.345 . . . . 0.0 111.035 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.09 119.96 38.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.702 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.412 -1.215 . . . . 0.0 112.539 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.4 mtt85 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.927 0.394 . . . . 0.0 111.258 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.6 p -110.09 140.1 30.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.187 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.555 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 22.2 p -99.99 130.35 26.47 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.818 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -42.19 148.93 0.34 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.721 2.281 . . . . 0.0 112.795 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.37 79.8 2.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.581 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.2 mt -134.69 130.66 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.11 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.99 HD22 ' CE1' ' A' ' 27' ' ' TYR . 88.0 mt -56.55 140.07 47.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.825 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -158.46 113.95 2.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.928 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.441 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.2 OUTLIER -100.15 128.86 46.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.107 -179.854 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.52 167.41 30.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.999 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.7 tptp -88.76 -66.67 0.9 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.747 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.0 tttp -78.82 128.71 33.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.44 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.656 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -53.84 -34.97 60.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.461 -179.443 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 m -53.04 -33.95 54.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.93 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -53.15 -34.33 56.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.78 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.493 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -46.44 170.49 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.322 0.582 . . . . 0.0 111.579 -178.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.22 156.49 17.86 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.596 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.555 ' HB3' ' HB3' ' A' ' 3' ' ' CYS . . . 49.69 -150.71 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.538 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.53 58.01 4.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.347 . . . . 0.0 110.98 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.5 m -129.28 -176.1 3.78 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.461 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 16.8 m -132.17 158.34 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.409 0.624 . . . . 0.0 111.935 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.656 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 11.6 m -99.34 135.19 41.11 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.953 -1.022 . . . . 0.0 110.008 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.535 HD12 ' O ' ' A' ' 27' ' ' TYR . 7.4 mt -99.76 143.95 29.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.031 0.443 . . . . 0.0 111.441 -179.192 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -56.33 -48.67 76.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.494 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.457 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 1.6 p-80 -54.35 -25.43 24.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.864 0.364 . . . . 0.0 110.569 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.486 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.29 64.6 0.48 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.677 -0.773 . . . . 0.0 113.03 179.194 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.99 ' CE1' HD22 ' A' ' 7' ' ' LEU . 16.7 m-85 -167.73 142.82 3.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.804 0.335 . . . . 0.0 111.002 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -99.24 122.39 42.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.66 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.031 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.453 -179.907 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.831 0.348 . . . . 0.0 111.206 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.588 HG13 ' O ' ' A' ' 2' ' ' VAL . 11.7 p -98.59 111.25 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.105 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.7 p -164.63 130.23 2.08 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -45.17 142.24 6.05 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.611 2.208 . . . . 0.0 112.533 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.7 mtm-85 -72.27 79.68 0.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.628 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.9 mt -132.05 122.65 49.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.124 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.98 HD22 ' CE1' ' A' ' 27' ' ' TYR . 49.2 mt -58.15 140.01 53.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.968 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.467 HD23 ' SG ' ' A' ' 10' ' ' CYS . 0.3 OUTLIER -164.28 118.82 1.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.788 179.915 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.427 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.7 OUTLIER -99.74 131.58 45.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.202 -179.774 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.467 ' SG ' HD23 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -155.06 162.34 41.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.871 -179.658 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.64 -63.33 1.35 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.667 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.0 tttt -82.45 131.53 35.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.565 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.686 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 3.9 m-20 -54.93 -34.89 63.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.399 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.8 p -54.43 -33.84 60.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.11 -34.42 30.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.664 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.48 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.7 t -49.34 173.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.119 0.485 . . . . 0.0 111.112 -179.149 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.69 172.27 7.34 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.984 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 52.17 -124.78 2.31 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.655 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.88 56.45 1.23 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.721 0.296 . . . . 0.0 110.804 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -132.34 -171.02 2.54 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.464 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 20.9 m -131.46 160.22 42.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.235 0.541 . . . . 0.0 111.701 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.686 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 16.6 m -99.33 134.16 42.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.098 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.496 HD12 ' CB ' ' A' ' 27' ' ' TYR . 3.5 mt -99.8 144.86 28.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.997 0.427 . . . . 0.0 111.39 -179.12 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -55.72 -47.97 75.96 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.646 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.448 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -53.23 -26.54 18.18 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.901 0.381 . . . . 0.0 110.537 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.469 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.39 65.99 0.49 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.647 -0.787 . . . . 0.0 113.108 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.98 ' CE1' HD22 ' A' ' 7' ' ' LEU . 8.3 m-85 -166.65 145.51 5.46 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.78 0.324 . . . . 0.0 111.014 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.17 114.25 26.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.491 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.468 -179.911 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.782 0.325 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.418 ' O ' HG23 ' A' ' 2' ' ' VAL . 7.2 m -81.54 110.24 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.048 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.3 p -172.95 130.16 0.58 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -44.92 126.98 8.03 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.504 2.136 . . . . 0.0 112.503 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.637 ' O ' HD13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -65.25 79.76 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.637 HD13 ' O ' ' A' ' 5' ' ' ARG . 30.8 mm -129.54 132.93 65.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.987 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.98 HD22 ' CE1' ' A' ' 27' ' ' TYR . 84.0 mt -57.43 135.65 56.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.996 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -163.83 113.06 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.863 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.416 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 9.5 pt-20 -99.64 131.82 45.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.158 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.26 163.28 40.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -85.83 -63.63 1.29 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.599 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.47 130.63 35.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.629 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.677 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 4.0 m-20 -54.65 -34.9 62.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.274 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.19 -33.84 59.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.889 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -51.76 -34.37 39.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.725 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.483 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.7 t -48.47 172.47 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.185 0.517 . . . . 0.0 111.167 -179.093 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 pp -115.4 170.92 8.04 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.167 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 52.81 -124.87 2.35 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.603 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -123.55 56.0 1.22 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.828 0.347 . . . . 0.0 110.78 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -131.87 -170.07 2.33 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.094 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.472 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 27.6 m -132.28 160.89 42.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.324 0.583 . . . . 0.0 111.733 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.677 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 16.4 m -99.31 133.63 43.34 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.895 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.611 HD13 ' CE1' ' A' ' 25' ' ' HIS . 3.8 mt -99.79 144.46 28.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.02 0.438 . . . . 0.0 111.534 -178.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.53 -46.11 77.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.979 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.611 ' CE1' HD13 ' A' ' 23' ' ' LEU . 10.9 p-80 -56.26 -23.71 37.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.86 0.362 . . . . 0.0 110.839 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.492 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 110.63 65.6 0.53 Allowed Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.625 -0.798 . . . . 0.0 113.306 178.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.98 ' CE1' HD22 ' A' ' 7' ' ' LEU . 7.1 m-85 -168.64 146.54 4.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.785 0.326 . . . . 0.0 110.853 179.376 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.04 117.36 33.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.608 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.421 ' O ' HG22 ' A' ' 21' ' ' VAL . . . . . . . . 0 C--O 1.25 1.137 0 CA-C-O 118.339 -1.256 . . . . 0.0 112.559 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.764 0.316 . . . . 0.0 111.205 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.5 92.22 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.218 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.5 p -171.41 130.14 0.73 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.747 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -43.69 140.07 4.73 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.548 2.165 . . . . 0.0 112.662 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.2 mtt180 -71.62 79.83 0.82 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.804 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.6 mt -137.97 122.92 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.056 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.98 HD22 ' CE1' ' A' ' 27' ' ' TYR . 88.5 mt -57.07 140.16 50.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.85 119.58 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.801 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.442 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 13.6 pt-20 -99.7 132.33 45.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.257 -179.706 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.8 161.16 40.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.977 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.97 -66.18 0.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.803 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.55 130.38 35.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.618 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.671 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -54.24 -37.89 65.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.262 -179.482 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 65.0 m -51.9 -33.86 38.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.816 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -50.94 -34.49 28.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.528 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.479 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -49.44 173.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.086 0.469 . . . . 0.0 111.098 -179.103 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.668 ' H ' HD23 ' A' ' 17' ' ' LEU . 2.5 pt? -116.61 173.12 6.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.994 -179.55 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 51.13 -124.71 2.27 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.74 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.71 56.97 1.2 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.814 0.34 . . . . 0.0 110.884 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.2 m -133.21 -172.92 3.06 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.074 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.467 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 21.2 m -130.05 160.02 41.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.362 0.601 . . . . 0.0 111.603 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.671 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 16.2 m -99.36 132.39 44.71 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.005 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.503 HD12 ' HB2' ' A' ' 27' ' ' TYR . 2.8 mt -99.7 145.41 27.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.947 0.403 . . . . 0.0 111.554 -179.036 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -56.17 -47.17 78.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.525 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.466 ' NE2' HD13 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -53.41 -26.05 18.18 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.89 0.376 . . . . 0.0 110.588 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.468 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 111.68 65.17 0.5 Allowed Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.702 -0.761 . . . . 0.0 113.156 179.037 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.98 ' CE1' HD22 ' A' ' 7' ' ' LEU . 30.3 m-85 -165.89 146.08 6.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.924 0.392 . . . . 0.0 111.012 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -99.28 112.98 25.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.62 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.337 -1.257 . . . . 0.0 112.514 179.982 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.835 0.35 . . . . 0.0 111.229 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.4 p -109.85 138.38 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.4 p -101.41 130.19 25.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.414 ' HD2' HD11 ' A' ' 17' ' ' LEU . 82.2 Cg_exo -46.16 155.89 0.58 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.55 2.167 . . . . 0.0 112.582 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.32 79.73 8.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.701 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.6 mt -142.44 133.32 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.159 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.848 HD22 ' CE1' ' A' ' 27' ' ' TYR . 58.6 mt -60.52 140.12 57.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.96 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.41 ' O ' ' CA ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -158.84 114.83 2.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.712 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.425 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -99.6 131.35 45.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.264 -179.661 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -152.12 163.28 39.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.91 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -83.1 -61.87 1.74 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.756 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.7 tptp -86.96 137.95 31.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.581 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.706 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -58.79 -35.95 73.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.752 0.31 . . . . 0.0 111.013 -179.718 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.5 m -54.92 -33.84 62.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.418 179.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -50.02 -34.5 21.52 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.729 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.48 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.9 t -49.82 172.3 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.057 0.456 . . . . 0.0 111.284 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.446 HD12 ' CB ' ' A' ' 18' ' ' ALA . 4.2 pp -115.13 171.45 7.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.674 -0.693 . . . . 0.0 111.023 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.446 ' CB ' HD12 ' A' ' 17' ' ' LEU . . . 52.68 -124.83 2.34 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.724 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.14 57.26 1.22 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.887 0.375 . . . . 0.0 110.709 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.3 m -133.53 -178.06 4.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.058 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.45 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 19.3 m -124.82 158.97 31.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.329 0.585 . . . . 0.0 111.721 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.706 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 17.6 m -99.46 134.02 42.93 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.131 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.663 HD12 ' HB2' ' A' ' 27' ' ' TYR . 3.1 mt -99.84 143.57 29.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.269 -179.134 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -54.55 -47.33 73.34 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.523 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.425 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -54.4 -26.94 33.43 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.869 0.366 . . . . 0.0 110.616 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.462 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 113.27 67.91 0.5 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.674 -0.774 . . . . 0.0 113.115 179.226 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.848 ' CE1' HD22 ' A' ' 7' ' ' LEU . 10.5 m-85 -166.21 144.22 5.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.738 0.304 . . . . 0.0 111.043 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -99.21 108.11 20.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.562 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.439 -1.201 . . . . 0.0 112.461 -179.862 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.81 0.338 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.0 t -97.97 140.04 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.4 p -99.93 130.08 27.13 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -46.46 157.45 0.46 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.502 2.135 . . . . 0.0 112.491 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.546 ' O ' HD13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -81.58 79.58 8.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.628 179.775 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.546 HD13 ' O ' ' A' ' 5' ' ' ARG . 25.3 mm -131.65 132.8 62.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.05 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.856 HD22 ' CE1' ' A' ' 27' ' ' TYR . 60.6 mt -59.2 140.05 56.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.974 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.432 HD23 ' SG ' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -161.11 113.29 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.811 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.442 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 1.3 pp20? -99.9 129.24 45.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.202 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.432 ' SG ' HD23 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -155.29 165.84 35.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.074 -179.799 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? -88.24 -66.11 0.95 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.701 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -78.57 127.96 32.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.452 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.656 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -52.86 -34.88 56.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.403 -179.44 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.3 m -54.19 -33.95 59.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.9 -34.22 40.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.741 -179.497 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.494 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -47.75 172.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.189 0.518 . . . . 0.0 111.347 -179.031 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -108.28 169.47 8.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.268 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 47.72 -125.09 1.71 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.941 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -120.24 54.15 1.06 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.039 0.447 . . . . 0.0 110.599 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.5 m -126.99 -175.25 3.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.014 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.464 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 18.4 m -127.17 159.72 36.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.382 0.61 . . . . 0.0 111.834 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.656 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 10.4 m -99.4 135.43 40.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.884 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.492 HD12 ' O ' ' A' ' 27' ' ' TYR . 6.5 mt -99.72 143.63 29.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.96 0.409 . . . . 0.0 111.519 -179.134 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -56.28 -48.34 76.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.532 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.443 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 1.5 p-80 -54.54 -25.3 25.07 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.877 0.37 . . . . 0.0 110.62 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.479 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.07 65.96 0.5 Allowed Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.702 -0.761 . . . . 0.0 113.155 179.108 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.856 ' CE1' HD22 ' A' ' 7' ' ' LEU . 8.4 m-85 -167.75 142.89 3.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.756 0.312 . . . . 0.0 111.074 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.13 119.13 37.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.671 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.439 -1.2 . . . . 0.0 112.555 180.0 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.889 0.376 . . . . 0.0 111.228 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.6 m -65.46 138.0 23.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.056 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.1 p -99.84 130.22 26.92 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.818 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -41.34 148.81 0.24 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.902 2.401 . . . . 0.0 112.902 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -73.71 79.73 1.54 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.591 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.8 mt -137.19 106.42 4.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.14 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.8 HD22 ' CD1' ' A' ' 27' ' ' TYR . 82.0 mt -54.02 140.09 32.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.401 ' O ' ' CA ' ' A' ' 27' ' ' TYR . 1.4 tt -158.97 125.63 4.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.792 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.427 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.9 OUTLIER -99.7 131.96 45.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.163 -179.651 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -153.58 161.74 41.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.91 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.11 -59.96 2.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.642 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.77 133.91 33.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.626 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.685 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -56.03 -34.83 66.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.244 -179.581 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.68 -33.98 61.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 179.603 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.33 -34.56 24.21 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.578 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.46 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.5 t -50.68 174.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.014 0.435 . . . . 0.0 111.029 -179.226 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 pp -118.81 169.13 10.11 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.135 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 53.06 -124.89 2.35 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.578 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.78 54.33 1.08 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.836 0.351 . . . . 0.0 110.754 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 m -131.9 172.9 11.75 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.301 -0.409 . . . . 0.0 109.904 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.482 HG22 ' OXT' ' A' ' 29' ' ' GLY . 23.2 m -119.79 160.24 20.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.348 0.594 . . . . 0.0 111.714 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.685 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 17.5 m -99.19 133.56 43.3 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.977 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.539 HD12 ' HB2' ' A' ' 27' ' ' TYR . 2.7 mt -99.76 144.56 28.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.987 0.422 . . . . 0.0 111.359 -179.128 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -54.86 -46.71 74.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.45 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.467 ' NE2' HD13 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -53.72 -27.05 25.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.913 0.387 . . . . 0.0 110.528 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.465 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.27 65.9 0.5 Allowed Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.686 -0.769 . . . . 0.0 113.091 179.171 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.8 ' CD1' HD22 ' A' ' 7' ' ' LEU . 32.2 m-85 -165.78 144.99 6.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.867 0.365 . . . . 0.0 111.163 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.16 111.66 23.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.561 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.482 ' OXT' HG22 ' A' ' 21' ' ' VAL . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.55 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.832 0.348 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.9 t -66.84 76.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.064 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.0 p -161.47 130.12 3.01 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.774 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo -44.13 130.38 8.38 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.619 2.213 . . . . 0.0 112.6 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.98 79.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.0 pt -136.66 130.43 46.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.118 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.98 HD22 ' CE1' ' A' ' 27' ' ' TYR . 68.4 mt -57.49 140.08 51.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -163.65 115.68 1.43 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.431 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 14.3 pt-20 -99.74 132.45 45.07 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.04 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -152.27 162.72 40.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.982 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.62 -56.59 3.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.584 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -92.01 140.05 30.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.507 179.707 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.704 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -60.41 -34.83 74.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.339 -179.548 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.13 -34.12 59.55 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.231 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 2.0 m-20 -52.04 -34.3 42.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.818 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.462 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.6 t -48.47 172.6 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.126 0.488 . . . . 0.0 111.255 -179.069 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 pp -116.38 169.69 9.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.169 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 52.24 -124.82 2.32 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.666 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -121.49 55.43 1.08 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.861 0.362 . . . . 0.0 110.78 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.2 m -132.47 179.93 5.83 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.001 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.468 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 23.0 m -124.96 160.71 29.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.357 0.598 . . . . 0.0 111.777 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.704 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 18.1 m -99.22 133.37 43.62 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.054 -0.976 . . . . 0.0 109.953 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.654 HD13 ' CE1' ' A' ' 25' ' ' HIS . 3.8 mt -99.7 144.52 28.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.02 0.438 . . . . 0.0 111.483 -179.127 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -55.08 -45.65 75.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.031 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.654 ' CE1' HD13 ' A' ' 23' ' ' LEU . 11.3 p-80 -56.46 -23.54 39.63 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.712 0.291 . . . . 0.0 110.744 -179.494 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.485 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 110.5 65.84 0.54 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.603 -0.808 . . . . 0.0 113.406 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.98 ' CE1' HD22 ' A' ' 7' ' ' LEU . 7.2 m-85 -168.44 147.41 4.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.827 0.346 . . . . 0.0 110.753 179.38 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.08 115.48 29.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.728 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.4 ' O ' HG22 ' A' ' 21' ' ' VAL . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.415 -1.214 . . . . 0.0 112.481 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.931 0.396 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.438 ' O ' HG23 ' A' ' 2' ' ' VAL . 11.4 m -102.8 77.49 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.8 p -132.14 130.23 21.97 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.816 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -44.81 126.0 6.98 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.561 2.174 . . . . 0.0 112.468 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.04 79.73 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.814 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.705 HD11 ' CD2' ' A' ' 17' ' ' LEU . 2.2 pt -126.67 135.53 63.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.099 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.888 HD22 ' CE1' ' A' ' 27' ' ' TYR . 93.8 mt -58.66 135.06 57.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -162.8 116.76 1.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.82 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.435 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -99.91 130.62 46.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.137 -179.776 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.81 159.87 40.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.019 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -83.3 -58.11 2.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.681 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -85.52 132.04 34.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.705 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.702 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 3.9 m-20 -57.67 -34.9 69.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.154 -179.589 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.2 m -54.43 -33.68 59.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.727 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -52.42 -34.36 48.04 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.65 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.497 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.7 t -47.28 171.12 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.27 0.557 . . . . 0.0 111.57 -178.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.705 ' CD2' HD11 ' A' ' 6' ' ' ILE . 3.4 pp -102.93 158.09 16.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.532 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 49.46 -151.32 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.524 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.98 58.62 3.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.648 0.261 . . . . 0.0 110.949 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.2 m -128.49 -172.53 2.73 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.456 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 16.5 m -133.39 158.89 43.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.56 0.695 . . . . 0.0 112.099 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.702 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 9.4 m -99.44 138.12 36.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.867 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.592 HD13 ' NE2' ' A' ' 25' ' ' HIS . 8.2 mt -99.75 143.0 30.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.051 0.453 . . . . 0.0 111.706 -178.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -55.77 -48.24 75.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.71 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.592 ' NE2' HD13 ' A' ' 23' ' ' LEU . 6.8 p-80 -56.61 -23.21 39.38 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.786 0.327 . . . . 0.0 110.708 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.496 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 111.08 66.02 0.53 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.634 -0.793 . . . . 0.0 113.224 179.072 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.888 ' CE1' HD22 ' A' ' 7' ' ' LEU . 8.1 m-85 -168.91 143.26 3.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.831 0.348 . . . . 0.0 111.011 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -99.17 123.6 43.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.575 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.324 -1.265 . . . . 0.0 112.543 -179.921 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.849 0.357 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.0 p -110.06 138.46 37.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.196 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.9 p -104.59 130.27 23.53 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.745 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.4 ' HD2' HD11 ' A' ' 17' ' ' LEU . 99.9 Cg_exo -43.93 139.72 5.47 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.6 2.2 . . . . 0.0 112.583 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.59 79.75 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.784 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.415 ' O ' HD12 ' A' ' 6' ' ' ILE . 2.2 pp -139.42 133.06 38.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.062 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.914 HD22 ' CE1' ' A' ' 27' ' ' TYR . 52.3 mt -57.92 140.01 53.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.086 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.411 HD13 ' CD1' ' A' ' 6' ' ' ILE . 0.1 OUTLIER -159.75 113.66 2.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.705 179.884 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.428 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 4.0 pt-20 -99.62 130.58 45.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.82 158.15 38.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.967 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.96 -66.29 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.653 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.33 137.64 35.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.632 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.719 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 4.0 m-20 -59.92 -34.9 73.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.312 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 t -54.3 -34.1 60.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.083 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.79 -34.46 40.04 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.868 -179.437 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.475 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.9 t -47.79 171.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.152 0.501 . . . . 0.0 111.37 -179.026 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.402 HD21 HD11 ' A' ' 6' ' ' ILE . 3.9 pp -112.85 168.77 9.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.189 -179.491 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 52.7 -124.98 2.36 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.762 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -122.41 55.19 1.16 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.866 0.365 . . . . 0.0 110.789 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.3 m -130.91 179.18 6.13 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.128 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.446 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 19.9 m -122.09 158.55 25.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.294 0.569 . . . . 0.0 111.78 -179.696 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.719 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 15.3 m -99.33 133.27 43.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.962 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.507 HD12 ' CB ' ' A' ' 27' ' ' TYR . 3.6 mt -99.66 144.25 28.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.917 0.389 . . . . 0.0 111.418 -179.258 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -46.35 76.52 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.555 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.454 ' NE2' HD13 ' A' ' 23' ' ' LEU . 0.9 OUTLIER -55.26 -24.63 29.09 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.823 0.344 . . . . 0.0 110.646 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.468 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 110.6 66.59 0.55 Allowed Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.671 -0.776 . . . . 0.0 113.304 179.149 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.914 ' CE1' HD22 ' A' ' 7' ' ' LEU . 16.8 m-85 -166.73 143.67 4.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.846 0.355 . . . . 0.0 111.151 179.536 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.18 113.43 25.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.609 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.338 -1.257 . . . . 0.0 112.636 -179.91 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 120.734 0.302 . . . . 0.0 111.325 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.6 m -110.14 70.97 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.156 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.7 p -126.02 130.11 24.08 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -47.03 149.99 3.09 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.491 2.127 . . . . 0.0 112.593 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -77.34 79.7 3.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.636 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.9 mt -133.9 118.38 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.228 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.928 HD22 ' CE1' ' A' ' 27' ' ' TYR . 34.9 mt -57.44 140.1 51.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.401 HD13 ' CD2' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -162.99 122.07 2.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.786 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.445 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 10.6 pt-20 -99.81 131.74 45.6 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.198 -179.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.83 162.26 40.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.042 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -85.85 -61.77 1.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.694 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -81.85 128.76 34.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.536 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.67 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -54.09 -34.89 61.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.273 -179.516 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.7 t -54.72 -33.91 61.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.796 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -51.38 -34.34 33.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.678 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.492 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -48.61 172.75 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.125 0.488 . . . . 0.0 111.29 -179.047 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.401 ' CD2' HD13 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -113.33 171.01 7.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.229 -179.391 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 50.9 -124.92 2.27 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.752 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -122.97 56.54 1.15 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.942 0.401 . . . . 0.0 110.622 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -131.59 -171.45 2.61 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.069 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.472 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 19.5 m -130.34 160.65 41.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.43 0.633 . . . . 0.0 111.849 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.67 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 13.4 m -99.33 134.96 41.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.901 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.457 HD12 ' CB ' ' A' ' 27' ' ' TYR . 4.2 mt -99.8 144.72 28.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.005 0.431 . . . . 0.0 111.475 -179.017 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -56.36 -48.14 77.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.518 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.456 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -53.51 -26.28 20.17 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.925 0.393 . . . . 0.0 110.557 -179.848 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.463 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.69 64.81 0.47 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.674 -0.774 . . . . 0.0 113.118 179.045 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.928 ' CE1' HD22 ' A' ' 7' ' ' LEU . 8.3 m-85 -166.65 145.8 5.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.705 0.288 . . . . 0.0 111.01 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.19 116.8 32.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.639 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.328 -1.262 . . . . 0.0 112.579 179.967 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.885 0.374 . . . . 0.0 111.259 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.579 HG13 ' O ' ' A' ' 2' ' ' VAL . 12.7 p -82.17 113.12 20.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.184 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.3 p -101.34 130.23 25.28 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.805 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -41.23 134.82 2.82 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.745 2.297 . . . . 0.0 112.856 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.96 79.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.67 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.1 mt -128.6 131.37 68.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.022 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.716 HD12 ' CE1' ' A' ' 27' ' ' TYR . 3.0 mm? -69.64 137.4 52.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.773 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -163.23 118.75 1.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.675 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.436 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -99.66 131.97 45.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.164 -179.759 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.99 160.21 40.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.639 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.8 -52.64 5.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.664 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -89.28 131.9 35.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.566 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.672 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -57.55 -34.88 69.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.216 -179.537 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.2 p -55.38 -33.74 63.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.755 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -51.1 -34.43 30.44 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.626 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.473 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.6 t -49.25 173.35 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.076 0.465 . . . . 0.0 111.141 -179.175 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.89 171.05 8.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.04 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 53.22 -124.78 2.33 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.646 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.41 56.24 1.12 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.775 0.321 . . . . 0.0 110.814 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -134.71 -178.08 4.91 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.202 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.481 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 20.9 m -126.01 162.0 30.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.297 0.57 . . . . 0.0 111.595 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.672 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 16.6 m -99.3 133.83 43.03 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.106 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.628 HD13 ' CE1' ' A' ' 25' ' ' HIS . 4.0 mt -99.83 144.58 28.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.121 0.486 . . . . 0.0 111.43 -179.049 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -55.48 -46.25 76.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.004 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.628 ' CE1' HD13 ' A' ' 23' ' ' LEU . 10.7 p-80 -56.08 -23.76 35.87 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.834 0.35 . . . . 0.0 110.874 -179.583 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.495 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 110.95 65.6 0.53 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.681 -0.771 . . . . 0.0 113.374 178.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.716 ' CE1' HD12 ' A' ' 7' ' ' LEU . 7.4 m-85 -168.57 146.95 4.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.834 0.349 . . . . 0.0 111.027 179.323 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.21 117.02 32.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.599 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.425 -1.209 . . . . 0.0 112.429 -179.951 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.873 0.368 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.1 m -91.21 138.72 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.017 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.0 p -100.03 130.32 26.48 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.751 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.588 ' HB2' HD13 ' A' ' 6' ' ' ILE . 82.5 Cg_exo -41.91 150.11 0.24 Allowed 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.841 2.361 . . . . 0.0 112.78 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.62 ' C ' HD12 ' A' ' 6' ' ' ILE . 1.1 mpp_? -81.64 80.64 7.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.077 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.62 HD12 ' C ' ' A' ' 5' ' ' ARG . 4.6 mp -146.49 127.22 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.948 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.967 HD22 ' CE1' ' A' ' 27' ' ' TYR . 93.9 mt -55.3 140.07 40.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.174 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.13 116.85 3.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.62 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.431 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -99.55 132.52 44.83 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.174 -179.623 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.11 162.43 41.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.931 -179.602 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.45 -64.56 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.666 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.7 133.83 34.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.557 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.694 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -55.25 -34.86 64.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.333 -179.591 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 m -54.51 -33.96 60.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.738 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -50.6 -34.46 26.06 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.65 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.476 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -49.98 174.11 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.997 0.427 . . . . 0.0 111.129 -179.167 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.522 HD11 ' HD2' ' A' ' 4' ' ' PRO . 2.8 pp -117.14 167.99 10.69 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.141 -179.429 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 52.98 -124.98 2.37 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.643 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -120.74 55.44 1.03 Allowed 'General case' 0 N--CA 1.456 -0.155 0 CA-C-O 120.94 0.4 . . . . 0.0 110.711 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.3 m -132.41 172.52 12.36 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.956 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.444 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 20.4 m -118.63 158.8 19.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.329 0.585 . . . . 0.0 111.764 -179.639 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.694 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 18.6 m -99.29 133.16 43.99 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.111 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.622 HD12 ' HB2' ' A' ' 27' ' ' TYR . 2.4 mt -99.73 144.77 28.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.015 0.436 . . . . 0.0 111.348 -179.166 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.13 -46.17 75.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.532 -179.673 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.443 ' NE2' HD13 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -54.33 -26.07 27.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.811 0.338 . . . . 0.0 110.597 -179.865 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.474 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 111.72 65.74 0.51 Allowed Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.585 -0.817 . . . . 0.0 113.183 179.117 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.967 ' CE1' HD22 ' A' ' 7' ' ' LEU . 22.8 m-85 -165.69 145.71 6.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.903 0.382 . . . . 0.0 110.991 179.571 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.25 110.62 23.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.601 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.344 -1.253 . . . . 0.0 112.582 -179.934 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.856 0.36 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.2 t -109.98 118.59 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.058 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.6 p -100.81 130.13 25.96 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.808 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo -44.47 147.96 1.46 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.541 2.16 . . . . 0.0 112.694 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.712 ' O ' HD13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -74.62 79.59 2.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.992 0.425 . . . . 0.0 110.701 179.86 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.712 HD13 ' O ' ' A' ' 5' ' ' ARG . 26.7 mm -131.18 140.04 49.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.053 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.729 HD12 ' CE1' ' A' ' 27' ' ' TYR . 2.9 mm? -72.12 140.01 48.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -164.08 117.89 1.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.796 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.444 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 9.8 pt-20 -99.79 132.47 45.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.258 -179.598 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -156.17 160.31 39.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.99 -179.745 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.6 mtpp -83.13 -64.27 1.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.649 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.0 tttm -81.12 130.17 34.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.416 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.697 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -54.27 -34.9 61.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.4 -179.535 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.86 -33.94 57.87 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 179.49 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -51.23 -34.24 31.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.685 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.486 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.7 t -49.23 173.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.092 0.472 . . . . 0.0 111.174 -179.108 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.51 HD12 ' CB ' ' A' ' 18' ' ' ALA . 3.9 pp -112.77 169.16 9.1 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.266 -179.382 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.51 ' CB ' HD12 ' A' ' 17' ' ' LEU . . . 50.73 -124.95 2.25 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.795 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -121.5 54.01 1.15 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.818 0.342 . . . . 0.0 110.805 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.3 m -127.14 -173.13 2.82 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.985 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.45 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 18.7 m -130.22 158.89 42.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.367 0.603 . . . . 0.0 111.82 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.697 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 14.9 m -99.39 134.68 41.9 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.932 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.491 HD12 ' CB ' ' A' ' 27' ' ' TYR . 3.7 mt -99.62 144.63 28.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.862 0.363 . . . . 0.0 111.521 -179.151 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -55.81 -48.28 75.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.523 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.451 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -53.14 -26.34 16.48 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.835 0.35 . . . . 0.0 110.512 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.469 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.16 66.24 0.5 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.65 -0.786 . . . . 0.0 113.188 179.068 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.729 ' CE1' HD12 ' A' ' 7' ' ' LEU . 8.0 m-85 -167.14 145.53 4.96 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.775 0.321 . . . . 0.0 110.895 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.07 114.87 27.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.647 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.569 -179.914 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.766 0.317 . . . . 0.0 111.282 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.435 ' O ' HG23 ' A' ' 2' ' ' VAL . 11.0 m -95.05 76.97 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 27.4 p -143.42 130.19 10.51 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.82 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 99.8 Cg_exo -43.81 141.08 4.35 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.6 2.2 . . . . 0.0 112.68 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.48 79.46 0.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.634 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -134.68 129.7 52.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.009 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.978 HD22 ' CE1' ' A' ' 27' ' ' TYR . 79.8 mt -58.24 140.1 53.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -162.67 111.95 1.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.752 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.431 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 1.6 pt-20 -99.72 130.74 45.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.121 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -153.46 168.14 27.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.006 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.51 -67.86 0.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.663 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -81.06 133.44 35.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.484 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.675 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 3.9 m-20 -54.81 -34.9 63.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.337 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.0 m -54.46 -33.89 60.48 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -51.4 -34.47 34.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.722 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.49 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -48.47 172.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.137 0.494 . . . . 0.0 111.261 -179.007 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.1 pp -114.02 170.77 8.03 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.055 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 51.5 -124.84 2.29 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.768 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.428 ' HB2' HG23 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -123.3 57.09 1.16 Allowed 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 121.003 0.43 . . . . 0.0 110.699 179.754 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -131.46 -170.76 2.44 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.081 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.494 HG22 ' OXT' ' A' ' 29' ' ' GLY . 21.8 m -132.21 159.37 43.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.294 0.569 . . . . 0.0 111.599 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.675 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 17.4 m -99.3 133.04 44.18 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.115 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.479 HD12 ' CB ' ' A' ' 27' ' ' TYR . 3.4 mt -99.75 144.94 28.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.442 -179.186 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -55.91 -47.9 76.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.541 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.452 ' NE2' HD13 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -53.39 -25.99 17.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.752 0.311 . . . . 0.0 110.557 -179.827 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.467 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 111.83 65.44 0.5 Allowed Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.686 -0.768 . . . . 0.0 113.085 179.079 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.978 ' CE1' HD22 ' A' ' 7' ' ' LEU . 12.8 m-85 -166.4 145.2 5.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.767 0.317 . . . . 0.0 110.974 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 0.5 OUTLIER -99.19 114.45 27.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.695 179.92 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.494 ' OXT' HG22 ' A' ' 21' ' ' VAL . . . . . . . . 0 C--O 1.248 1.03 0 CA-C-O 118.403 -1.22 . . . . 0.0 112.541 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.836 0.351 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 32.5 m -84.22 133.0 30.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.231 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 27.1 p -107.43 130.22 23.14 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.791 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -41.07 134.53 2.64 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.848 2.365 . . . . 0.0 112.845 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -67.04 79.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.0 tp -131.53 127.79 59.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.944 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.888 HD22 ' CE1' ' A' ' 27' ' ' TYR . 60.5 mt -55.75 137.37 49.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -160.5 113.86 2.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.716 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.446 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.8 OUTLIER -99.98 128.96 46.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.157 -179.744 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -156.05 158.05 37.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -82.12 -59.4 2.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.647 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.5 tttp -81.99 130.74 35.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.491 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.686 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -58.73 -35.04 72.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.299 -179.495 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 72.2 m -54.45 -33.79 60.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -52.55 -34.38 49.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.732 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.483 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -46.69 170.84 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.239 0.542 . . . . 0.0 111.539 -178.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 pp -106.55 161.87 14.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.549 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 50.19 -146.16 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.501 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -98.58 59.19 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.754 0.311 . . . . 0.0 110.931 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -130.5 -171.27 2.51 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.574 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.459 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 17.0 m -133.97 159.24 42.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.402 0.62 . . . . 0.0 111.847 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.686 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 9.9 m -99.43 134.56 42.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.88 -1.055 . . . . 0.0 109.865 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 27' ' ' TYR . 5.7 mt -99.73 143.23 30.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.04 0.448 . . . . 0.0 111.519 -178.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.08 -47.22 78.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.547 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.445 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 1.4 p-80 -55.06 -25.68 32.43 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.854 0.359 . . . . 0.0 110.634 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.475 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.73 64.64 0.47 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.663 -0.78 . . . . 0.0 113.117 179.099 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.888 ' CE1' HD22 ' A' ' 7' ' ' LEU . 8.2 m-85 -167.21 143.35 4.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.838 0.352 . . . . 0.0 111.108 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.16 117.47 33.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.656 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.49 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 28.2 ptt180 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.972 0.415 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 20.7 t -109.99 97.74 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.249 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.3 p -123.85 130.06 24.57 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.821 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -48.26 155.83 1.86 Allowed 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.524 2.149 . . . . 0.0 112.479 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.464 ' O ' HD13 ' A' ' 6' ' ' ILE . 1.0 OUTLIER -81.21 79.57 7.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.089 0.471 . . . . 0.0 110.703 179.802 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.464 HD13 ' O ' ' A' ' 5' ' ' ARG . 23.4 mm -130.28 122.05 52.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.057 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.988 HD22 ' CE1' ' A' ' 27' ' ' TYR . 62.1 mt -57.98 140.07 53.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -164.53 118.68 1.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.727 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.44 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.6 OUTLIER -99.87 130.66 46.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.174 -179.726 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -153.93 163.49 39.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.008 -179.674 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.42 -66.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.696 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.87 132.71 35.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.59 179.727 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.691 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.7 OUTLIER -55.52 -34.83 65.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.356 -179.54 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.2 t -54.71 -33.93 61.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.81 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -51.08 -34.49 30.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.673 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.492 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -48.49 172.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.029 0.442 . . . . 0.0 111.396 -179.105 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 pp -110.56 170.58 7.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.156 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 51.44 -124.94 2.3 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.786 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -124.25 54.1 1.38 Allowed 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 120.812 0.339 . . . . 0.0 110.75 179.691 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -126.81 -168.81 1.92 Allowed 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.097 179.733 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.457 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 17.9 m -131.73 158.76 43.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.393 0.616 . . . . 0.0 111.985 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.691 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 13.0 m -99.42 135.03 41.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.003 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.555 HD12 ' CB ' ' A' ' 27' ' ' TYR . 4.2 mt -99.69 143.28 30.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.908 0.385 . . . . 0.0 111.44 -179.237 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -46.39 77.38 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.487 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.452 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -55.79 -25.24 40.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.774 0.321 . . . . 0.0 110.602 -179.77 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.474 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.18 66.15 0.5 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.605 -0.807 . . . . 0.0 113.199 179.146 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.988 ' CE1' HD22 ' A' ' 7' ' ' LEU . 8.2 m-85 -167.06 143.92 4.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.766 0.317 . . . . 0.0 111.025 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.1 113.74 26.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.58 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.368 -1.24 . . . . 0.0 112.493 -179.922 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.853 0.359 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.5 m -110.06 140.04 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.7 p -99.88 130.35 26.59 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.685 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -40.93 132.1 2.81 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.724 2.283 . . . . 0.0 112.792 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.414 ' NH1' ' HB2' ' A' ' 5' ' ' ARG . 0.8 OUTLIER -65.45 79.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.754 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.476 ' O ' HG23 ' A' ' 6' ' ' ILE . 7.8 tp -132.19 121.39 46.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.439 HD22 ' CD1' ' A' ' 27' ' ' TYR . 72.5 mt -53.91 140.03 32.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.029 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -160.3 120.8 2.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.98 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.441 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 1.8 pt-20 -100.15 129.48 46.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.074 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.49 164.74 38.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.939 0.399 . . . . 0.0 111.073 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.66 -66.33 0.91 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.777 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -80.54 130.63 35.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.528 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.672 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -54.61 -34.91 62.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.503 -179.496 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.4 t -52.84 -33.97 51.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.028 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.13 -34.27 56.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.77 -179.448 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.497 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.7 t -46.87 171.01 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.26 0.552 . . . . 0.0 111.537 -178.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 pp -104.52 157.21 17.32 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.535 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 49.52 -151.25 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.503 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -89.87 58.38 4.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.73 0.3 . . . . 0.0 110.967 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.5 m -129.16 -173.79 3.09 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.458 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 18.5 m -133.98 158.39 42.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.512 0.672 . . . . 0.0 112.093 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.672 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 11.6 m -99.35 135.87 40.13 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.908 179.55 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.588 HD13 ' NE2' ' A' ' 25' ' ' HIS . 8.5 mt -99.77 142.87 30.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.089 0.471 . . . . 0.0 111.505 -179.074 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -46.27 77.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.789 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.588 ' NE2' HD13 ' A' ' 23' ' ' LEU . 8.0 p-80 -58.43 -22.09 53.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.873 0.368 . . . . 0.0 110.846 -179.664 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.487 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 110.25 65.04 0.53 Allowed Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.681 -0.771 . . . . 0.0 113.331 179.053 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.487 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 7.7 m-85 -168.39 142.56 3.29 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.787 0.327 . . . . 0.0 110.913 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.23 121.63 41.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.649 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.353 -1.248 . . . . 0.0 112.506 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.84 0.353 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.2 p -100.39 138.41 24.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.0 p -173.57 130.29 0.53 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.788 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_exo -43.06 135.06 5.65 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.619 2.213 . . . . 0.0 112.689 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.506 ' O ' HD13 ' A' ' 6' ' ' ILE . 11.2 ttt85 -68.05 79.62 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.506 HD13 ' O ' ' A' ' 5' ' ' ARG . 24.9 mm -131.98 123.29 50.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.031 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.935 HD22 ' CE1' ' A' ' 27' ' ' TYR . 81.4 mt -57.02 139.76 51.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.403 ' O ' ' CA ' ' A' ' 27' ' ' TYR . 1.1 tt -164.47 118.54 1.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.759 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.418 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -99.75 132.2 45.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 -179.636 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.65 162.44 41.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.945 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -84.47 -62.92 1.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.684 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -84.26 132.1 34.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.6 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.691 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 3.9 m-20 -54.02 -34.85 61.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.35 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.2 t -54.54 -33.8 60.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -51.17 -34.33 30.99 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.683 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.486 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -49.17 173.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.071 0.462 . . . . 0.0 111.29 -178.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.542 HD12 ' C ' ' A' ' 17' ' ' LEU . 4.5 pp -113.75 171.59 7.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.14 -179.408 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.462 ' CB ' HD12 ' A' ' 17' ' ' LEU . . . 50.91 -124.81 2.26 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.761 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.1 55.46 1.29 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.819 0.343 . . . . 0.0 110.81 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -128.87 -168.66 1.95 Allowed 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.257 -0.428 . . . . 0.0 109.912 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.461 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 19.8 m -133.59 159.62 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.392 0.615 . . . . 0.0 111.821 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.691 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 18.8 m -99.35 134.89 41.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.906 179.572 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.499 HD13 ' CE1' ' A' ' 25' ' ' HIS . 16.3 mt -99.74 142.54 31.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.049 0.452 . . . . 0.0 111.47 -178.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.82 -46.15 67.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.626 -0.716 . . . . 0.0 112.372 -179.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.499 ' CE1' HD13 ' A' ' 23' ' ' LEU . 7.7 p-80 -58.73 -24.21 61.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.816 0.341 . . . . 0.0 111.019 -179.398 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.496 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.85 68.66 0.52 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.622 -0.799 . . . . 0.0 113.164 179.127 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.935 ' CE1' HD22 ' A' ' 7' ' ' LEU . 7.9 m-85 -168.69 145.17 3.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.751 0.31 . . . . 0.0 110.898 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.95 113.02 24.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.574 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.32 -1.267 . . . . 0.0 112.504 -179.872 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.1 mm . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.791 0.329 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.959 HD22 ' CE1' ' A' ' 27' ' ' TYR . 88.3 mt -56.56 140.08 47.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -159.09 117.05 2.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.837 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.442 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 16.9 pt-20 -100.22 127.86 46.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -156.01 166.77 32.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.985 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -89.55 -67.16 0.86 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.684 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -75.98 125.85 29.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.45 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.644 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 4.0 m-20 -53.16 -34.92 58.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.338 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.4 -33.9 55.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.083 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -53.61 -34.25 57.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.828 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.484 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -45.95 169.68 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.313 0.578 . . . . 0.0 111.735 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 pp -104.96 160.16 15.24 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.592 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 50.11 -147.82 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.455 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.52 58.8 2.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.72 0.295 . . . . 0.0 110.935 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.418 ' HG ' ' C ' ' A' ' 29' ' ' GLY . 1.2 m -130.87 -172.79 2.91 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.465 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 20.2 m -132.45 159.38 43.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.38 0.61 . . . . 0.0 111.834 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.644 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 8.6 m -99.41 134.91 41.6 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.829 179.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.577 HD13 ' NE2' ' A' ' 25' ' ' HIS . 10.0 mt -99.7 143.17 30.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.085 0.469 . . . . 0.0 111.366 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.71 -46.18 81.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.79 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.577 ' NE2' HD13 ' A' ' 23' ' ' LEU . 8.2 p-80 -57.69 -22.52 46.67 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.778 0.323 . . . . 0.0 110.755 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.485 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 110.87 64.79 0.52 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.624 -0.798 . . . . 0.0 113.341 179.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.959 ' CE1' HD22 ' A' ' 7' ' ' LEU . 7.7 m-85 -168.21 142.49 3.39 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.824 0.345 . . . . 0.0 111.035 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.09 119.96 38.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.702 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.418 ' C ' ' HG ' ' A' ' 20' ' ' CYS . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.412 -1.215 . . . . 0.0 112.539 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.2 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.881 0.372 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.99 HD22 ' CE1' ' A' ' 27' ' ' TYR . 88.0 mt -56.55 140.07 47.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.825 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -158.46 113.95 2.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.928 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.441 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.2 OUTLIER -100.15 128.86 46.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.107 -179.854 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.52 167.41 30.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.999 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.7 tptp -88.76 -66.67 0.9 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.747 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.0 tttp -78.82 128.71 33.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.44 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.656 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -53.84 -34.97 60.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.461 -179.443 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 m -53.04 -33.95 54.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.93 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -53.15 -34.33 56.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.78 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.493 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -46.44 170.49 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.322 0.582 . . . . 0.0 111.579 -178.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.22 156.49 17.86 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.596 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 49.69 -150.71 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.538 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.53 58.01 4.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.347 . . . . 0.0 110.98 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.5 m -129.28 -176.1 3.78 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.461 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 16.8 m -132.17 158.34 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.409 0.624 . . . . 0.0 111.935 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.656 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 11.6 m -99.34 135.19 41.11 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.953 -1.022 . . . . 0.0 110.008 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.535 HD12 ' O ' ' A' ' 27' ' ' TYR . 7.4 mt -99.76 143.95 29.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.031 0.443 . . . . 0.0 111.441 -179.192 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -56.33 -48.67 76.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.494 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.457 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 1.6 p-80 -54.35 -25.43 24.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.864 0.364 . . . . 0.0 110.569 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.486 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.29 64.6 0.48 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.677 -0.773 . . . . 0.0 113.03 179.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.99 ' CE1' HD22 ' A' ' 7' ' ' LEU . 16.7 m-85 -167.73 142.82 3.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.804 0.335 . . . . 0.0 111.002 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -99.24 122.39 42.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.66 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.031 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.453 -179.907 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.9 mt . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 120.783 0.325 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.98 HD22 ' CE1' ' A' ' 27' ' ' TYR . 49.2 mt -58.15 140.01 53.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.968 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.467 HD23 ' SG ' ' A' ' 10' ' ' CYS . 0.3 OUTLIER -164.28 118.82 1.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.788 179.915 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.427 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.7 OUTLIER -99.74 131.58 45.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.202 -179.774 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.467 ' SG ' HD23 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -155.06 162.34 41.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.871 -179.658 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.64 -63.33 1.35 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.667 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.0 tttt -82.45 131.53 35.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.565 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.686 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 3.9 m-20 -54.93 -34.89 63.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.399 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.8 p -54.43 -33.84 60.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.11 -34.42 30.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.664 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.48 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.7 t -49.34 173.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.119 0.485 . . . . 0.0 111.112 -179.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.69 172.27 7.34 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.984 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 52.17 -124.78 2.31 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.655 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.88 56.45 1.23 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.721 0.296 . . . . 0.0 110.804 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -132.34 -171.02 2.54 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.464 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 20.9 m -131.46 160.22 42.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.235 0.541 . . . . 0.0 111.701 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.686 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 16.6 m -99.33 134.16 42.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.098 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.496 HD12 ' CB ' ' A' ' 27' ' ' TYR . 3.5 mt -99.8 144.86 28.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.997 0.427 . . . . 0.0 111.39 -179.12 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -55.72 -47.97 75.96 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.646 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.448 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -53.23 -26.54 18.18 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.901 0.381 . . . . 0.0 110.537 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.469 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.39 65.99 0.49 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.647 -0.787 . . . . 0.0 113.108 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.98 ' CE1' HD22 ' A' ' 7' ' ' LEU . 8.3 m-85 -166.65 145.51 5.46 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.78 0.324 . . . . 0.0 111.014 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.17 114.25 26.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.491 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.468 -179.911 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.8 mm . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.85 0.357 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.98 HD22 ' CE1' ' A' ' 27' ' ' TYR . 84.0 mt -57.43 135.65 56.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.996 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -163.83 113.06 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.863 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.416 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 9.5 pt-20 -99.64 131.82 45.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.158 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.26 163.28 40.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -85.83 -63.63 1.29 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.599 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.47 130.63 35.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.629 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.677 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 4.0 m-20 -54.65 -34.9 62.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.274 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.19 -33.84 59.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.889 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -51.76 -34.37 39.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.725 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.483 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.7 t -48.47 172.47 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.185 0.517 . . . . 0.0 111.167 -179.093 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 pp -115.4 170.92 8.04 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.167 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 52.81 -124.87 2.35 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.603 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -123.55 56.0 1.22 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.828 0.347 . . . . 0.0 110.78 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -131.87 -170.07 2.33 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.094 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.472 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 27.6 m -132.28 160.89 42.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.324 0.583 . . . . 0.0 111.733 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.677 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 16.4 m -99.31 133.63 43.34 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.895 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.611 HD13 ' CE1' ' A' ' 25' ' ' HIS . 3.8 mt -99.79 144.46 28.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.02 0.438 . . . . 0.0 111.534 -178.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.53 -46.11 77.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.979 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.611 ' CE1' HD13 ' A' ' 23' ' ' LEU . 10.9 p-80 -56.26 -23.71 37.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.86 0.362 . . . . 0.0 110.839 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.492 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 110.63 65.6 0.53 Allowed Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.625 -0.798 . . . . 0.0 113.306 178.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.98 ' CE1' HD22 ' A' ' 7' ' ' LEU . 7.1 m-85 -168.64 146.54 4.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.785 0.326 . . . . 0.0 110.853 179.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.04 117.36 33.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.608 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.421 ' O ' HG22 ' A' ' 21' ' ' VAL . . . . . . . . 0 C--O 1.25 1.137 0 CA-C-O 118.339 -1.256 . . . . 0.0 112.559 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.6 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.733 0.302 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.98 HD22 ' CE1' ' A' ' 27' ' ' TYR . 88.5 mt -57.07 140.16 50.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.85 119.58 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.801 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.442 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 13.6 pt-20 -99.7 132.33 45.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.257 -179.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.8 161.16 40.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.977 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.97 -66.18 0.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.803 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.55 130.38 35.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.618 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.671 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -54.24 -37.89 65.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.262 -179.482 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 65.0 m -51.9 -33.86 38.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.816 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -50.94 -34.49 28.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.528 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.479 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -49.44 173.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.086 0.469 . . . . 0.0 111.098 -179.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.668 ' H ' HD23 ' A' ' 17' ' ' LEU . 2.5 pt? -116.61 173.12 6.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.994 -179.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 51.13 -124.71 2.27 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.74 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.71 56.97 1.2 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.814 0.34 . . . . 0.0 110.884 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.2 m -133.21 -172.92 3.06 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.074 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.467 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 21.2 m -130.05 160.02 41.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.362 0.601 . . . . 0.0 111.603 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.671 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 16.2 m -99.36 132.39 44.71 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.005 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.503 HD12 ' HB2' ' A' ' 27' ' ' TYR . 2.8 mt -99.7 145.41 27.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.947 0.403 . . . . 0.0 111.554 -179.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -56.17 -47.17 78.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.525 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.466 ' NE2' HD13 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -53.41 -26.05 18.18 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.89 0.376 . . . . 0.0 110.588 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.468 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 111.68 65.17 0.5 Allowed Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.702 -0.761 . . . . 0.0 113.156 179.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.98 ' CE1' HD22 ' A' ' 7' ' ' LEU . 30.3 m-85 -165.89 146.08 6.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.924 0.392 . . . . 0.0 111.012 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -99.28 112.98 25.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.62 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.337 -1.257 . . . . 0.0 112.514 179.982 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.6 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.797 0.332 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.848 HD22 ' CE1' ' A' ' 27' ' ' TYR . 58.6 mt -60.52 140.12 57.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.96 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.41 ' O ' ' CA ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -158.84 114.83 2.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.712 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.425 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -99.6 131.35 45.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.264 -179.661 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -152.12 163.28 39.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.91 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -83.1 -61.87 1.74 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.756 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.7 tptp -86.96 137.95 31.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.581 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.706 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -58.79 -35.95 73.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.752 0.31 . . . . 0.0 111.013 -179.718 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.5 m -54.92 -33.84 62.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.418 179.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -50.02 -34.5 21.52 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.729 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.48 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.9 t -49.82 172.3 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.057 0.456 . . . . 0.0 111.284 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.446 HD12 ' CB ' ' A' ' 18' ' ' ALA . 4.2 pp -115.13 171.45 7.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.674 -0.693 . . . . 0.0 111.023 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.446 ' CB ' HD12 ' A' ' 17' ' ' LEU . . . 52.68 -124.83 2.34 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.724 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.14 57.26 1.22 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.887 0.375 . . . . 0.0 110.709 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.3 m -133.53 -178.06 4.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.058 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.45 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 19.3 m -124.82 158.97 31.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.329 0.585 . . . . 0.0 111.721 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.706 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 17.6 m -99.46 134.02 42.93 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.131 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.663 HD12 ' HB2' ' A' ' 27' ' ' TYR . 3.1 mt -99.84 143.57 29.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.269 -179.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -54.55 -47.33 73.34 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.523 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.425 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -54.4 -26.94 33.43 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.869 0.366 . . . . 0.0 110.616 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.462 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 113.27 67.91 0.5 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.674 -0.774 . . . . 0.0 113.115 179.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.848 ' CE1' HD22 ' A' ' 7' ' ' LEU . 10.5 m-85 -166.21 144.22 5.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.738 0.304 . . . . 0.0 111.043 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -99.21 108.11 20.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.562 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.439 -1.201 . . . . 0.0 112.461 -179.862 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.3 mm . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.803 0.335 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.856 HD22 ' CE1' ' A' ' 27' ' ' TYR . 60.6 mt -59.2 140.05 56.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.974 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.432 HD23 ' SG ' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -161.11 113.29 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.811 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.442 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 1.3 pp20? -99.9 129.24 45.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.202 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.432 ' SG ' HD23 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -155.29 165.84 35.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.074 -179.799 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? -88.24 -66.11 0.95 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.701 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -78.57 127.96 32.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.452 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.656 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -52.86 -34.88 56.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.403 -179.44 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.3 m -54.19 -33.95 59.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.9 -34.22 40.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.741 -179.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.494 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -47.75 172.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.189 0.518 . . . . 0.0 111.347 -179.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -108.28 169.47 8.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.268 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 47.72 -125.09 1.71 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.941 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -120.24 54.15 1.06 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.039 0.447 . . . . 0.0 110.599 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.5 m -126.99 -175.25 3.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.014 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.464 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 18.4 m -127.17 159.72 36.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.382 0.61 . . . . 0.0 111.834 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.656 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 10.4 m -99.4 135.43 40.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.884 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.492 HD12 ' O ' ' A' ' 27' ' ' TYR . 6.5 mt -99.72 143.63 29.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.96 0.409 . . . . 0.0 111.519 -179.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -56.28 -48.34 76.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.532 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.443 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 1.5 p-80 -54.54 -25.3 25.07 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.877 0.37 . . . . 0.0 110.62 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.479 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.07 65.96 0.5 Allowed Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.702 -0.761 . . . . 0.0 113.155 179.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.856 ' CE1' HD22 ' A' ' 7' ' ' LEU . 8.4 m-85 -167.75 142.89 3.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.756 0.312 . . . . 0.0 111.074 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.13 119.13 37.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.671 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.439 -1.2 . . . . 0.0 112.555 180.0 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.8 mt . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 120.888 0.375 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.8 HD22 ' CD1' ' A' ' 27' ' ' TYR . 82.0 mt -54.02 140.09 32.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.401 ' O ' ' CA ' ' A' ' 27' ' ' TYR . 1.4 tt -158.97 125.63 4.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.792 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.427 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.9 OUTLIER -99.7 131.96 45.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.163 -179.651 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -153.58 161.74 41.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.91 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.11 -59.96 2.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.642 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.77 133.91 33.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.626 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.685 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -56.03 -34.83 66.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.244 -179.581 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.68 -33.98 61.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 179.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.33 -34.56 24.21 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.578 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.46 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.5 t -50.68 174.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.014 0.435 . . . . 0.0 111.029 -179.226 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 pp -118.81 169.13 10.11 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.135 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 53.06 -124.89 2.35 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.578 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.78 54.33 1.08 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.836 0.351 . . . . 0.0 110.754 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 m -131.9 172.9 11.75 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.301 -0.409 . . . . 0.0 109.904 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.482 HG22 ' OXT' ' A' ' 29' ' ' GLY . 23.2 m -119.79 160.24 20.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.348 0.594 . . . . 0.0 111.714 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.685 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 17.5 m -99.19 133.56 43.3 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.977 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.539 HD12 ' HB2' ' A' ' 27' ' ' TYR . 2.7 mt -99.76 144.56 28.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.987 0.422 . . . . 0.0 111.359 -179.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -54.86 -46.71 74.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.45 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.467 ' NE2' HD13 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -53.72 -27.05 25.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.913 0.387 . . . . 0.0 110.528 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.465 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.27 65.9 0.5 Allowed Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.686 -0.769 . . . . 0.0 113.091 179.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.8 ' CD1' HD22 ' A' ' 7' ' ' LEU . 32.2 m-85 -165.78 144.99 6.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.867 0.365 . . . . 0.0 111.163 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.16 111.66 23.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.561 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.482 ' OXT' HG22 ' A' ' 21' ' ' VAL . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.55 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.0 pt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.867 0.365 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.98 HD22 ' CE1' ' A' ' 27' ' ' TYR . 68.4 mt -57.49 140.08 51.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -163.65 115.68 1.43 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.431 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 14.3 pt-20 -99.74 132.45 45.07 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.04 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -152.27 162.72 40.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.982 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.62 -56.59 3.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.584 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -92.01 140.05 30.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.507 179.707 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.704 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -60.41 -34.83 74.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.339 -179.548 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.13 -34.12 59.55 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.231 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 2.0 m-20 -52.04 -34.3 42.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.818 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.462 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.6 t -48.47 172.6 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.126 0.488 . . . . 0.0 111.255 -179.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 pp -116.38 169.69 9.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.169 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 52.24 -124.82 2.32 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.666 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -121.49 55.43 1.08 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.861 0.362 . . . . 0.0 110.78 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.2 m -132.47 179.93 5.83 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.001 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.468 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 23.0 m -124.96 160.71 29.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.357 0.598 . . . . 0.0 111.777 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.704 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 18.1 m -99.22 133.37 43.62 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.054 -0.976 . . . . 0.0 109.953 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.654 HD13 ' CE1' ' A' ' 25' ' ' HIS . 3.8 mt -99.7 144.52 28.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.02 0.438 . . . . 0.0 111.483 -179.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -55.08 -45.65 75.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.031 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.654 ' CE1' HD13 ' A' ' 23' ' ' LEU . 11.3 p-80 -56.46 -23.54 39.63 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.712 0.291 . . . . 0.0 110.744 -179.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.485 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 110.5 65.84 0.54 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.603 -0.808 . . . . 0.0 113.406 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.98 ' CE1' HD22 ' A' ' 7' ' ' LEU . 7.2 m-85 -168.44 147.41 4.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.827 0.346 . . . . 0.0 110.753 179.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.08 115.48 29.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.728 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.4 ' O ' HG22 ' A' ' 21' ' ' VAL . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.415 -1.214 . . . . 0.0 112.481 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.705 HD11 ' CD2' ' A' ' 17' ' ' LEU . 2.2 pt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.774 0.321 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.888 HD22 ' CE1' ' A' ' 27' ' ' TYR . 93.8 mt -58.66 135.06 57.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -162.8 116.76 1.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.82 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.435 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -99.91 130.62 46.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.137 -179.776 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.81 159.87 40.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.019 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -83.3 -58.11 2.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.681 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -85.52 132.04 34.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.705 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.702 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 3.9 m-20 -57.67 -34.9 69.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.154 -179.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.2 m -54.43 -33.68 59.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.727 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -52.42 -34.36 48.04 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.65 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.497 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.7 t -47.28 171.12 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.27 0.557 . . . . 0.0 111.57 -178.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.705 ' CD2' HD11 ' A' ' 6' ' ' ILE . 3.4 pp -102.93 158.09 16.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.532 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 49.46 -151.32 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.524 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.98 58.62 3.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.648 0.261 . . . . 0.0 110.949 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.2 m -128.49 -172.53 2.73 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.456 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 16.5 m -133.39 158.89 43.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.56 0.695 . . . . 0.0 112.099 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.702 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 9.4 m -99.44 138.12 36.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.867 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.592 HD13 ' NE2' ' A' ' 25' ' ' HIS . 8.2 mt -99.75 143.0 30.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.051 0.453 . . . . 0.0 111.706 -178.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -55.77 -48.24 75.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.71 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.592 ' NE2' HD13 ' A' ' 23' ' ' LEU . 6.8 p-80 -56.61 -23.21 39.38 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.786 0.327 . . . . 0.0 110.708 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.496 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 111.08 66.02 0.53 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.634 -0.793 . . . . 0.0 113.224 179.072 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.888 ' CE1' HD22 ' A' ' 7' ' ' LEU . 8.1 m-85 -168.91 143.26 3.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.831 0.348 . . . . 0.0 111.011 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -99.17 123.6 43.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.575 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.324 -1.265 . . . . 0.0 112.543 -179.921 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.415 ' O ' HD12 ' A' ' 6' ' ' ILE . 2.2 pp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.825 0.345 . . . . 0.0 111.062 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.914 HD22 ' CE1' ' A' ' 27' ' ' TYR . 52.3 mt -57.92 140.01 53.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.086 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.411 HD13 ' CD1' ' A' ' 6' ' ' ILE . 0.1 OUTLIER -159.75 113.66 2.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.705 179.884 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.428 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 4.0 pt-20 -99.62 130.58 45.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.82 158.15 38.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.967 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.96 -66.29 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.653 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.33 137.64 35.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.632 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.719 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 4.0 m-20 -59.92 -34.9 73.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.312 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 t -54.3 -34.1 60.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.083 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.79 -34.46 40.04 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.868 -179.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.475 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.9 t -47.79 171.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.152 0.501 . . . . 0.0 111.37 -179.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.402 HD21 HD11 ' A' ' 6' ' ' ILE . 3.9 pp -112.85 168.77 9.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.189 -179.491 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 52.7 -124.98 2.36 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.762 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -122.41 55.19 1.16 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.866 0.365 . . . . 0.0 110.789 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.3 m -130.91 179.18 6.13 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.128 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.446 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 19.9 m -122.09 158.55 25.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.294 0.569 . . . . 0.0 111.78 -179.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.719 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 15.3 m -99.33 133.27 43.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.962 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.507 HD12 ' CB ' ' A' ' 27' ' ' TYR . 3.6 mt -99.66 144.25 28.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.917 0.389 . . . . 0.0 111.418 -179.258 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -46.35 76.52 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.555 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.454 ' NE2' HD13 ' A' ' 23' ' ' LEU . 0.9 OUTLIER -55.26 -24.63 29.09 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.823 0.344 . . . . 0.0 110.646 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.468 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 110.6 66.59 0.55 Allowed Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.671 -0.776 . . . . 0.0 113.304 179.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.914 ' CE1' HD22 ' A' ' 7' ' ' LEU . 16.8 m-85 -166.73 143.67 4.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.846 0.355 . . . . 0.0 111.151 179.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.18 113.43 25.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.609 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.338 -1.257 . . . . 0.0 112.636 -179.91 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.9 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.784 0.326 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.928 HD22 ' CE1' ' A' ' 27' ' ' TYR . 34.9 mt -57.44 140.1 51.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.401 HD13 ' CD2' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -162.99 122.07 2.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.786 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.445 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 10.6 pt-20 -99.81 131.74 45.6 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.198 -179.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.83 162.26 40.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.042 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -85.85 -61.77 1.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.694 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -81.85 128.76 34.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.536 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.67 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -54.09 -34.89 61.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.273 -179.516 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.7 t -54.72 -33.91 61.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.796 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -51.38 -34.34 33.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.678 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.492 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -48.61 172.75 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.125 0.488 . . . . 0.0 111.29 -179.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.401 ' CD2' HD13 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -113.33 171.01 7.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.229 -179.391 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 50.9 -124.92 2.27 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.752 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -122.97 56.54 1.15 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.942 0.401 . . . . 0.0 110.622 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -131.59 -171.45 2.61 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.069 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.472 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 19.5 m -130.34 160.65 41.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.43 0.633 . . . . 0.0 111.849 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.67 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 13.4 m -99.33 134.96 41.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.901 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.457 HD12 ' CB ' ' A' ' 27' ' ' TYR . 4.2 mt -99.8 144.72 28.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.005 0.431 . . . . 0.0 111.475 -179.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -56.36 -48.14 77.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.518 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.456 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -53.51 -26.28 20.17 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.925 0.393 . . . . 0.0 110.557 -179.848 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.463 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.69 64.81 0.47 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.674 -0.774 . . . . 0.0 113.118 179.045 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.928 ' CE1' HD22 ' A' ' 7' ' ' LEU . 8.3 m-85 -166.65 145.8 5.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.705 0.288 . . . . 0.0 111.01 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.19 116.8 32.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.639 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.328 -1.262 . . . . 0.0 112.579 179.967 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.1 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.82 0.343 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.716 HD12 ' CE1' ' A' ' 27' ' ' TYR . 3.0 mm? -69.64 137.4 52.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.773 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -163.23 118.75 1.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.675 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.436 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -99.66 131.97 45.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.164 -179.759 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.99 160.21 40.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.8 -52.64 5.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.664 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -89.28 131.9 35.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.566 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.672 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -57.55 -34.88 69.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.216 -179.537 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.2 p -55.38 -33.74 63.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.755 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -51.1 -34.43 30.44 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.626 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.473 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.6 t -49.25 173.35 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.076 0.465 . . . . 0.0 111.141 -179.175 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.89 171.05 8.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.04 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 53.22 -124.78 2.33 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.646 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.41 56.24 1.12 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.775 0.321 . . . . 0.0 110.814 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -134.71 -178.08 4.91 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.202 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.481 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 20.9 m -126.01 162.0 30.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.297 0.57 . . . . 0.0 111.595 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.672 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 16.6 m -99.3 133.83 43.03 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.106 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.628 HD13 ' CE1' ' A' ' 25' ' ' HIS . 4.0 mt -99.83 144.58 28.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.121 0.486 . . . . 0.0 111.43 -179.049 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -55.48 -46.25 76.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.004 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.628 ' CE1' HD13 ' A' ' 23' ' ' LEU . 10.7 p-80 -56.08 -23.76 35.87 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.834 0.35 . . . . 0.0 110.874 -179.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.495 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 110.95 65.6 0.53 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.681 -0.771 . . . . 0.0 113.374 178.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.716 ' CE1' HD12 ' A' ' 7' ' ' LEU . 7.4 m-85 -168.57 146.95 4.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.834 0.349 . . . . 0.0 111.027 179.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.21 117.02 32.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.599 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.425 -1.209 . . . . 0.0 112.429 -179.951 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.475 ' N ' HD12 ' A' ' 6' ' ' ILE . 4.6 mp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.878 0.371 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.967 HD22 ' CE1' ' A' ' 27' ' ' TYR . 93.9 mt -55.3 140.07 40.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.174 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.13 116.85 3.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.62 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.431 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -99.55 132.52 44.83 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.174 -179.623 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.11 162.43 41.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.931 -179.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.45 -64.56 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.666 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.7 133.83 34.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.557 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.694 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -55.25 -34.86 64.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.333 -179.591 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 m -54.51 -33.96 60.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.738 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -50.6 -34.46 26.06 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.65 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.476 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -49.98 174.11 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.997 0.427 . . . . 0.0 111.129 -179.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 pp -117.14 167.99 10.69 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.141 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 52.98 -124.98 2.37 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.643 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -120.74 55.44 1.03 Allowed 'General case' 0 N--CA 1.456 -0.155 0 CA-C-O 120.94 0.4 . . . . 0.0 110.711 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.3 m -132.41 172.52 12.36 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.956 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.444 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 20.4 m -118.63 158.8 19.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.329 0.585 . . . . 0.0 111.764 -179.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.694 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 18.6 m -99.29 133.16 43.99 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.111 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.622 HD12 ' HB2' ' A' ' 27' ' ' TYR . 2.4 mt -99.73 144.77 28.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.015 0.436 . . . . 0.0 111.348 -179.166 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.13 -46.17 75.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.532 -179.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.443 ' NE2' HD13 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -54.33 -26.07 27.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.811 0.338 . . . . 0.0 110.597 -179.865 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.474 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 111.72 65.74 0.51 Allowed Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.585 -0.817 . . . . 0.0 113.183 179.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.967 ' CE1' HD22 ' A' ' 7' ' ' LEU . 22.8 m-85 -165.69 145.71 6.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.903 0.382 . . . . 0.0 110.991 179.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.25 110.62 23.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.601 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.344 -1.253 . . . . 0.0 112.582 -179.934 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.7 mm . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.803 0.335 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.729 HD12 ' CE1' ' A' ' 27' ' ' TYR . 2.9 mm? -72.12 140.01 48.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -164.08 117.89 1.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.796 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.444 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 9.8 pt-20 -99.79 132.47 45.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.258 -179.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -156.17 160.31 39.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.99 -179.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.6 mtpp -83.13 -64.27 1.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.649 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.0 tttm -81.12 130.17 34.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.416 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.697 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -54.27 -34.9 61.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.4 -179.535 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.86 -33.94 57.87 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 179.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -51.23 -34.24 31.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.685 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.486 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.7 t -49.23 173.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.092 0.472 . . . . 0.0 111.174 -179.108 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.51 HD12 ' CB ' ' A' ' 18' ' ' ALA . 3.9 pp -112.77 169.16 9.1 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.266 -179.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.51 ' CB ' HD12 ' A' ' 17' ' ' LEU . . . 50.73 -124.95 2.25 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.795 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -121.5 54.01 1.15 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.818 0.342 . . . . 0.0 110.805 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.3 m -127.14 -173.13 2.82 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.985 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.45 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 18.7 m -130.22 158.89 42.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.367 0.603 . . . . 0.0 111.82 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.697 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 14.9 m -99.39 134.68 41.9 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.932 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.491 HD12 ' CB ' ' A' ' 27' ' ' TYR . 3.7 mt -99.62 144.63 28.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.862 0.363 . . . . 0.0 111.521 -179.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -55.81 -48.28 75.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.523 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.451 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -53.14 -26.34 16.48 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.835 0.35 . . . . 0.0 110.512 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.469 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.16 66.24 0.5 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.65 -0.786 . . . . 0.0 113.188 179.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.729 ' CE1' HD12 ' A' ' 7' ' ' LEU . 8.0 m-85 -167.14 145.53 4.96 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.775 0.321 . . . . 0.0 110.895 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.07 114.87 27.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.647 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.569 -179.914 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.76 0.314 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.978 HD22 ' CE1' ' A' ' 27' ' ' TYR . 79.8 mt -58.24 140.1 53.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -162.67 111.95 1.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.752 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.431 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 1.6 pt-20 -99.72 130.74 45.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.121 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -153.46 168.14 27.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.006 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.51 -67.86 0.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.663 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -81.06 133.44 35.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.484 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.675 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 3.9 m-20 -54.81 -34.9 63.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.337 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.0 m -54.46 -33.89 60.48 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -51.4 -34.47 34.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.722 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.49 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -48.47 172.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.137 0.494 . . . . 0.0 111.261 -179.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.1 pp -114.02 170.77 8.03 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.055 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 51.5 -124.84 2.29 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.768 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.3 57.09 1.16 Allowed 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 121.003 0.43 . . . . 0.0 110.699 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -131.46 -170.76 2.44 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.081 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.494 HG22 ' OXT' ' A' ' 29' ' ' GLY . 21.8 m -132.21 159.37 43.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.294 0.569 . . . . 0.0 111.599 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.675 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 17.4 m -99.3 133.04 44.18 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.115 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.479 HD12 ' CB ' ' A' ' 27' ' ' TYR . 3.4 mt -99.75 144.94 28.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.442 -179.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -55.91 -47.9 76.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.541 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.452 ' NE2' HD13 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -53.39 -25.99 17.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.752 0.311 . . . . 0.0 110.557 -179.827 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.467 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 111.83 65.44 0.5 Allowed Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.686 -0.768 . . . . 0.0 113.085 179.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.978 ' CE1' HD22 ' A' ' 7' ' ' LEU . 12.8 m-85 -166.4 145.2 5.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.767 0.317 . . . . 0.0 110.974 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 0.5 OUTLIER -99.19 114.45 27.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.695 179.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.494 ' OXT' HG22 ' A' ' 21' ' ' VAL . . . . . . . . 0 C--O 1.248 1.03 0 CA-C-O 118.403 -1.22 . . . . 0.0 112.541 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.0 tp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.821 0.344 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.888 HD22 ' CE1' ' A' ' 27' ' ' TYR . 60.5 mt -55.75 137.37 49.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -160.5 113.86 2.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.716 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.446 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.8 OUTLIER -99.98 128.96 46.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.157 -179.744 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -156.05 158.05 37.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -82.12 -59.4 2.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.647 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.5 tttp -81.99 130.74 35.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.491 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.686 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -58.73 -35.04 72.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.299 -179.495 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 72.2 m -54.45 -33.79 60.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -52.55 -34.38 49.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.732 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.483 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -46.69 170.84 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.239 0.542 . . . . 0.0 111.539 -178.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 pp -106.55 161.87 14.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.549 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 50.19 -146.16 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.501 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -98.58 59.19 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.754 0.311 . . . . 0.0 110.931 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.403 ' HG ' ' C ' ' A' ' 29' ' ' GLY . 0.9 OUTLIER -130.5 -171.27 2.51 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.574 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.459 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 17.0 m -133.97 159.24 42.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.402 0.62 . . . . 0.0 111.847 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.686 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 9.9 m -99.43 134.56 42.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.88 -1.055 . . . . 0.0 109.865 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 27' ' ' TYR . 5.7 mt -99.73 143.23 30.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.04 0.448 . . . . 0.0 111.519 -178.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.08 -47.22 78.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.547 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.445 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 1.4 p-80 -55.06 -25.68 32.43 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.854 0.359 . . . . 0.0 110.634 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.475 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.73 64.64 0.47 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.663 -0.78 . . . . 0.0 113.117 179.099 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.888 ' CE1' HD22 ' A' ' 7' ' ' LEU . 8.2 m-85 -167.21 143.35 4.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.838 0.352 . . . . 0.0 111.108 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.16 117.47 33.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.656 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.403 ' C ' ' HG ' ' A' ' 20' ' ' CYS . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.4 mm . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.837 0.351 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.988 HD22 ' CE1' ' A' ' 27' ' ' TYR . 62.1 mt -57.98 140.07 53.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -164.53 118.68 1.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.727 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.44 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.6 OUTLIER -99.87 130.66 46.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.174 -179.726 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -153.93 163.49 39.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.008 -179.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.42 -66.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.696 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.87 132.71 35.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.59 179.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.691 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.7 OUTLIER -55.52 -34.83 65.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.356 -179.54 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.2 t -54.71 -33.93 61.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.81 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -51.08 -34.49 30.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.673 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.492 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -48.49 172.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.029 0.442 . . . . 0.0 111.396 -179.105 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 pp -110.56 170.58 7.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.156 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 51.44 -124.94 2.3 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.786 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -124.25 54.1 1.38 Allowed 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 120.812 0.339 . . . . 0.0 110.75 179.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -126.81 -168.81 1.92 Allowed 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.097 179.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.457 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 17.9 m -131.73 158.76 43.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.393 0.616 . . . . 0.0 111.985 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.691 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 13.0 m -99.42 135.03 41.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.003 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.555 HD12 ' CB ' ' A' ' 27' ' ' TYR . 4.2 mt -99.69 143.28 30.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.908 0.385 . . . . 0.0 111.44 -179.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -46.39 77.38 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.487 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.452 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -55.79 -25.24 40.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.774 0.321 . . . . 0.0 110.602 -179.77 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.474 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.18 66.15 0.5 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.605 -0.807 . . . . 0.0 113.199 179.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.988 ' CE1' HD22 ' A' ' 7' ' ' LEU . 8.2 m-85 -167.06 143.92 4.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.766 0.317 . . . . 0.0 111.025 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.1 113.74 26.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.58 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.368 -1.24 . . . . 0.0 112.493 -179.922 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.476 ' O ' HG23 ' A' ' 6' ' ' ILE . 7.8 tp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.864 0.364 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.439 HD22 ' CD1' ' A' ' 27' ' ' TYR . 72.5 mt -53.91 140.03 32.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.029 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -160.3 120.8 2.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.98 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.441 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 1.8 pt-20 -100.15 129.48 46.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.074 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.49 164.74 38.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.939 0.399 . . . . 0.0 111.073 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.66 -66.33 0.91 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.777 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -80.54 130.63 35.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.528 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.672 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -54.61 -34.91 62.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.503 -179.496 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.4 t -52.84 -33.97 51.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.028 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.13 -34.27 56.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.77 -179.448 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.497 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.7 t -46.87 171.01 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.26 0.552 . . . . 0.0 111.537 -178.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 pp -104.52 157.21 17.32 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.535 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 49.52 -151.25 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.503 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -89.87 58.38 4.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.73 0.3 . . . . 0.0 110.967 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.5 m -129.16 -173.79 3.09 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.458 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 18.5 m -133.98 158.39 42.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.512 0.672 . . . . 0.0 112.093 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.672 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 11.6 m -99.35 135.87 40.13 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.908 179.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.588 HD13 ' NE2' ' A' ' 25' ' ' HIS . 8.5 mt -99.77 142.87 30.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.089 0.471 . . . . 0.0 111.505 -179.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -46.27 77.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.789 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.588 ' NE2' HD13 ' A' ' 23' ' ' LEU . 8.0 p-80 -58.43 -22.09 53.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.873 0.368 . . . . 0.0 110.846 -179.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.487 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 110.25 65.04 0.53 Allowed Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.681 -0.771 . . . . 0.0 113.331 179.053 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.487 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 7.7 m-85 -168.39 142.56 3.29 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.787 0.327 . . . . 0.0 110.913 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.23 121.63 41.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.649 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.353 -1.248 . . . . 0.0 112.506 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.9 mm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.793 0.33 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.935 HD22 ' CE1' ' A' ' 27' ' ' TYR . 81.4 mt -57.02 139.76 51.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.403 ' O ' ' CA ' ' A' ' 27' ' ' TYR . 1.1 tt -164.47 118.54 1.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.759 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.418 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -99.75 132.2 45.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 -179.636 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.65 162.44 41.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.945 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -84.47 -62.92 1.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.684 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -84.26 132.1 34.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.6 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.691 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 3.9 m-20 -54.02 -34.85 61.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.35 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.2 t -54.54 -33.8 60.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -51.17 -34.33 30.99 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.683 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.486 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -49.17 173.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.071 0.462 . . . . 0.0 111.29 -178.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.542 HD12 ' C ' ' A' ' 17' ' ' LEU . 4.5 pp -113.75 171.59 7.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.14 -179.408 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.462 ' CB ' HD12 ' A' ' 17' ' ' LEU . . . 50.91 -124.81 2.26 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.761 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.1 55.46 1.29 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.819 0.343 . . . . 0.0 110.81 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -128.87 -168.66 1.95 Allowed 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.257 -0.428 . . . . 0.0 109.912 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.461 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 19.8 m -133.59 159.62 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.392 0.615 . . . . 0.0 111.821 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.691 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 18.8 m -99.35 134.89 41.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.906 179.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.499 HD13 ' CE1' ' A' ' 25' ' ' HIS . 16.3 mt -99.74 142.54 31.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.049 0.452 . . . . 0.0 111.47 -178.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.82 -46.15 67.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.626 -0.716 . . . . 0.0 112.372 -179.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.499 ' CE1' HD13 ' A' ' 23' ' ' LEU . 7.7 p-80 -58.73 -24.21 61.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.816 0.341 . . . . 0.0 111.019 -179.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.496 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.85 68.66 0.52 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.622 -0.799 . . . . 0.0 113.164 179.127 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.935 ' CE1' HD22 ' A' ' 7' ' ' LEU . 7.9 m-85 -168.69 145.17 3.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.751 0.31 . . . . 0.0 110.898 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.95 113.02 24.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.574 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.32 -1.267 . . . . 0.0 112.504 -179.872 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.789 0.328 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.5 m -101.46 138.07 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.3 p -100.41 130.28 26.1 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.77 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -42.71 148.17 0.5 Allowed 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.727 2.285 . . . . 0.0 112.695 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.572 ' O ' HD13 ' A' ' 6' ' ' ILE . 2.6 tpt180 -73.94 79.6 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.647 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.572 HD13 ' O ' ' A' ' 5' ' ' ARG . 25.1 mm -133.66 122.55 43.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.142 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.959 HD22 ' CE1' ' A' ' 27' ' ' TYR . 88.3 mt -56.56 140.08 47.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -159.09 117.05 2.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.837 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.442 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 16.9 pt-20 -100.22 127.86 46.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -156.01 166.77 32.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.985 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -89.55 -67.16 0.86 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.684 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -75.98 125.85 29.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.45 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.644 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 4.0 m-20 -53.16 -34.92 58.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.338 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.4 -33.9 55.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.083 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -53.61 -34.25 57.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.828 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.484 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -45.95 169.68 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.313 0.578 . . . . 0.0 111.735 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 pp -104.96 160.16 15.24 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.592 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 50.11 -147.82 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.455 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.52 58.8 2.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.72 0.295 . . . . 0.0 110.935 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.2 m -130.87 -172.79 2.91 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.465 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 20.2 m -132.45 159.38 43.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.38 0.61 . . . . 0.0 111.834 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.644 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 8.6 m -99.41 134.91 41.6 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.829 179.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.577 HD13 ' NE2' ' A' ' 25' ' ' HIS . 10.0 mt -99.7 143.17 30.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.085 0.469 . . . . 0.0 111.366 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.71 -46.18 81.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.79 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.577 ' NE2' HD13 ' A' ' 23' ' ' LEU . 8.2 p-80 -57.69 -22.52 46.67 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.778 0.323 . . . . 0.0 110.755 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.485 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 110.87 64.79 0.52 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.624 -0.798 . . . . 0.0 113.341 179.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.959 ' CE1' HD22 ' A' ' 7' ' ' LEU . 7.7 m-85 -168.21 142.49 3.39 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.824 0.345 . . . . 0.0 111.035 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.09 119.96 38.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.702 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.412 -1.215 . . . . 0.0 112.539 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.4 mtt85 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.927 0.394 . . . . 0.0 111.258 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.6 p -110.09 140.1 30.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.187 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.555 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 22.2 p -99.99 130.35 26.47 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.818 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -42.19 148.93 0.34 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.721 2.281 . . . . 0.0 112.795 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.37 79.8 2.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.581 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.2 mt -134.69 130.66 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.11 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.99 HD22 ' CE1' ' A' ' 27' ' ' TYR . 88.0 mt -56.55 140.07 47.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.825 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -158.46 113.95 2.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.928 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.441 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.2 OUTLIER -100.15 128.86 46.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.107 -179.854 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.52 167.41 30.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.999 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.7 tptp -88.76 -66.67 0.9 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.747 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.0 tttp -78.82 128.71 33.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.44 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.656 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -53.84 -34.97 60.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.461 -179.443 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 m -53.04 -33.95 54.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.93 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -53.15 -34.33 56.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.78 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.493 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -46.44 170.49 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.322 0.582 . . . . 0.0 111.579 -178.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.22 156.49 17.86 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.596 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.555 ' HB3' ' HB3' ' A' ' 3' ' ' CYS . . . 49.69 -150.71 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.538 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.53 58.01 4.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.347 . . . . 0.0 110.98 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.5 m -129.28 -176.1 3.78 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.461 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 16.8 m -132.17 158.34 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.409 0.624 . . . . 0.0 111.935 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.656 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 11.6 m -99.34 135.19 41.11 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.953 -1.022 . . . . 0.0 110.008 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.535 HD12 ' O ' ' A' ' 27' ' ' TYR . 7.4 mt -99.76 143.95 29.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.031 0.443 . . . . 0.0 111.441 -179.192 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -56.33 -48.67 76.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.494 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.457 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 1.6 p-80 -54.35 -25.43 24.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.864 0.364 . . . . 0.0 110.569 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.486 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.29 64.6 0.48 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.677 -0.773 . . . . 0.0 113.03 179.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.99 ' CE1' HD22 ' A' ' 7' ' ' LEU . 16.7 m-85 -167.73 142.82 3.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.804 0.335 . . . . 0.0 111.002 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -99.24 122.39 42.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.66 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.031 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.453 -179.907 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.831 0.348 . . . . 0.0 111.206 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.588 HG13 ' O ' ' A' ' 2' ' ' VAL . 11.7 p -98.59 111.25 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.105 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.7 p -164.63 130.23 2.08 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -45.17 142.24 6.05 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.611 2.208 . . . . 0.0 112.533 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.7 mtm-85 -72.27 79.68 0.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.628 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.9 mt -132.05 122.65 49.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.124 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.98 HD22 ' CE1' ' A' ' 27' ' ' TYR . 49.2 mt -58.15 140.01 53.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.968 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.467 HD23 ' SG ' ' A' ' 10' ' ' CYS . 0.3 OUTLIER -164.28 118.82 1.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.788 179.915 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.427 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.7 OUTLIER -99.74 131.58 45.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.202 -179.774 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.467 ' SG ' HD23 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -155.06 162.34 41.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.871 -179.658 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.64 -63.33 1.35 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.667 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.0 tttt -82.45 131.53 35.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.565 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.686 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 3.9 m-20 -54.93 -34.89 63.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.399 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.8 p -54.43 -33.84 60.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.11 -34.42 30.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.664 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.48 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.7 t -49.34 173.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.119 0.485 . . . . 0.0 111.112 -179.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.69 172.27 7.34 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.984 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 52.17 -124.78 2.31 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.655 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.88 56.45 1.23 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.721 0.296 . . . . 0.0 110.804 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -132.34 -171.02 2.54 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.464 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 20.9 m -131.46 160.22 42.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.235 0.541 . . . . 0.0 111.701 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.686 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 16.6 m -99.33 134.16 42.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.098 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.496 HD12 ' CB ' ' A' ' 27' ' ' TYR . 3.5 mt -99.8 144.86 28.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.997 0.427 . . . . 0.0 111.39 -179.12 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -55.72 -47.97 75.96 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.646 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.448 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -53.23 -26.54 18.18 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.901 0.381 . . . . 0.0 110.537 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.469 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.39 65.99 0.49 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.647 -0.787 . . . . 0.0 113.108 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.98 ' CE1' HD22 ' A' ' 7' ' ' LEU . 8.3 m-85 -166.65 145.51 5.46 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.78 0.324 . . . . 0.0 111.014 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.17 114.25 26.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.491 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.468 -179.911 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.782 0.325 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.418 ' O ' HG23 ' A' ' 2' ' ' VAL . 7.2 m -81.54 110.24 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.048 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.3 p -172.95 130.16 0.58 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -44.92 126.98 8.03 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.504 2.136 . . . . 0.0 112.503 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.637 ' O ' HD13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -65.25 79.76 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.637 HD13 ' O ' ' A' ' 5' ' ' ARG . 30.8 mm -129.54 132.93 65.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.987 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.98 HD22 ' CE1' ' A' ' 27' ' ' TYR . 84.0 mt -57.43 135.65 56.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.996 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -163.83 113.06 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.863 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.416 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 9.5 pt-20 -99.64 131.82 45.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.158 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.26 163.28 40.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -85.83 -63.63 1.29 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.599 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.47 130.63 35.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.629 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.677 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 4.0 m-20 -54.65 -34.9 62.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.274 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.19 -33.84 59.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.889 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -51.76 -34.37 39.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.725 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.483 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.7 t -48.47 172.47 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.185 0.517 . . . . 0.0 111.167 -179.093 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 pp -115.4 170.92 8.04 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.167 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 52.81 -124.87 2.35 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.603 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -123.55 56.0 1.22 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.828 0.347 . . . . 0.0 110.78 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -131.87 -170.07 2.33 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.094 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.472 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 27.6 m -132.28 160.89 42.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.324 0.583 . . . . 0.0 111.733 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.677 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 16.4 m -99.31 133.63 43.34 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.895 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.611 HD13 ' CE1' ' A' ' 25' ' ' HIS . 3.8 mt -99.79 144.46 28.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.02 0.438 . . . . 0.0 111.534 -178.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.53 -46.11 77.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.979 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.611 ' CE1' HD13 ' A' ' 23' ' ' LEU . 10.9 p-80 -56.26 -23.71 37.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.86 0.362 . . . . 0.0 110.839 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.492 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 110.63 65.6 0.53 Allowed Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.625 -0.798 . . . . 0.0 113.306 178.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.98 ' CE1' HD22 ' A' ' 7' ' ' LEU . 7.1 m-85 -168.64 146.54 4.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.785 0.326 . . . . 0.0 110.853 179.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.04 117.36 33.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.608 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.421 ' O ' HG22 ' A' ' 21' ' ' VAL . . . . . . . . 0 C--O 1.25 1.137 0 CA-C-O 118.339 -1.256 . . . . 0.0 112.559 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.764 0.316 . . . . 0.0 111.205 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.5 92.22 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.218 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.5 p -171.41 130.14 0.73 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.747 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -43.69 140.07 4.73 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.548 2.165 . . . . 0.0 112.662 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.2 mtt180 -71.62 79.83 0.82 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.804 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.6 mt -137.97 122.92 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.056 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.98 HD22 ' CE1' ' A' ' 27' ' ' TYR . 88.5 mt -57.07 140.16 50.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.85 119.58 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.801 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.442 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 13.6 pt-20 -99.7 132.33 45.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.257 -179.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.8 161.16 40.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.977 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.97 -66.18 0.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.803 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.55 130.38 35.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.618 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.671 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -54.24 -37.89 65.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.262 -179.482 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 65.0 m -51.9 -33.86 38.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.816 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -50.94 -34.49 28.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.528 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.479 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -49.44 173.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.086 0.469 . . . . 0.0 111.098 -179.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.668 ' H ' HD23 ' A' ' 17' ' ' LEU . 2.5 pt? -116.61 173.12 6.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.994 -179.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 51.13 -124.71 2.27 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.74 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.71 56.97 1.2 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.814 0.34 . . . . 0.0 110.884 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.2 m -133.21 -172.92 3.06 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.074 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.467 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 21.2 m -130.05 160.02 41.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.362 0.601 . . . . 0.0 111.603 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.671 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 16.2 m -99.36 132.39 44.71 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.005 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.503 HD12 ' HB2' ' A' ' 27' ' ' TYR . 2.8 mt -99.7 145.41 27.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.947 0.403 . . . . 0.0 111.554 -179.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -56.17 -47.17 78.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.525 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.466 ' NE2' HD13 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -53.41 -26.05 18.18 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.89 0.376 . . . . 0.0 110.588 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.468 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 111.68 65.17 0.5 Allowed Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.702 -0.761 . . . . 0.0 113.156 179.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.98 ' CE1' HD22 ' A' ' 7' ' ' LEU . 30.3 m-85 -165.89 146.08 6.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.924 0.392 . . . . 0.0 111.012 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -99.28 112.98 25.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.62 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.337 -1.257 . . . . 0.0 112.514 179.982 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.835 0.35 . . . . 0.0 111.229 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.4 p -109.85 138.38 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.4 p -101.41 130.19 25.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.414 ' HD2' HD11 ' A' ' 17' ' ' LEU . 82.2 Cg_exo -46.16 155.89 0.58 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.55 2.167 . . . . 0.0 112.582 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.32 79.73 8.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.701 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.6 mt -142.44 133.32 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.159 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.848 HD22 ' CE1' ' A' ' 27' ' ' TYR . 58.6 mt -60.52 140.12 57.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.96 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.41 ' O ' ' CA ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -158.84 114.83 2.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.712 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.425 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -99.6 131.35 45.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.264 -179.661 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -152.12 163.28 39.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.91 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -83.1 -61.87 1.74 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.756 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.7 tptp -86.96 137.95 31.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.581 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.706 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -58.79 -35.95 73.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.752 0.31 . . . . 0.0 111.013 -179.718 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.5 m -54.92 -33.84 62.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.418 179.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -50.02 -34.5 21.52 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.729 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.48 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.9 t -49.82 172.3 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.057 0.456 . . . . 0.0 111.284 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.446 HD12 ' CB ' ' A' ' 18' ' ' ALA . 4.2 pp -115.13 171.45 7.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.674 -0.693 . . . . 0.0 111.023 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.446 ' CB ' HD12 ' A' ' 17' ' ' LEU . . . 52.68 -124.83 2.34 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.724 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.14 57.26 1.22 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.887 0.375 . . . . 0.0 110.709 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.3 m -133.53 -178.06 4.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.058 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.45 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 19.3 m -124.82 158.97 31.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.329 0.585 . . . . 0.0 111.721 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.706 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 17.6 m -99.46 134.02 42.93 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.131 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.663 HD12 ' HB2' ' A' ' 27' ' ' TYR . 3.1 mt -99.84 143.57 29.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.269 -179.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -54.55 -47.33 73.34 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.523 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.425 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -54.4 -26.94 33.43 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.869 0.366 . . . . 0.0 110.616 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.462 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 113.27 67.91 0.5 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.674 -0.774 . . . . 0.0 113.115 179.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.848 ' CE1' HD22 ' A' ' 7' ' ' LEU . 10.5 m-85 -166.21 144.22 5.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.738 0.304 . . . . 0.0 111.043 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -99.21 108.11 20.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.562 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.439 -1.201 . . . . 0.0 112.461 -179.862 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.81 0.338 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.0 t -97.97 140.04 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.4 p -99.93 130.08 27.13 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -46.46 157.45 0.46 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.502 2.135 . . . . 0.0 112.491 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.546 ' O ' HD13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -81.58 79.58 8.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.628 179.775 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.546 HD13 ' O ' ' A' ' 5' ' ' ARG . 25.3 mm -131.65 132.8 62.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.05 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.856 HD22 ' CE1' ' A' ' 27' ' ' TYR . 60.6 mt -59.2 140.05 56.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.974 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.432 HD23 ' SG ' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -161.11 113.29 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.811 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.442 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 1.3 pp20? -99.9 129.24 45.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.202 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.432 ' SG ' HD23 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -155.29 165.84 35.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.074 -179.799 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? -88.24 -66.11 0.95 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.701 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -78.57 127.96 32.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.452 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.656 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -52.86 -34.88 56.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.403 -179.44 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.3 m -54.19 -33.95 59.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.9 -34.22 40.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.741 -179.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.494 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -47.75 172.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.189 0.518 . . . . 0.0 111.347 -179.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -108.28 169.47 8.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.268 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 47.72 -125.09 1.71 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.941 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -120.24 54.15 1.06 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.039 0.447 . . . . 0.0 110.599 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.5 m -126.99 -175.25 3.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.014 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.464 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 18.4 m -127.17 159.72 36.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.382 0.61 . . . . 0.0 111.834 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.656 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 10.4 m -99.4 135.43 40.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.884 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.492 HD12 ' O ' ' A' ' 27' ' ' TYR . 6.5 mt -99.72 143.63 29.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.96 0.409 . . . . 0.0 111.519 -179.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -56.28 -48.34 76.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.532 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.443 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 1.5 p-80 -54.54 -25.3 25.07 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.877 0.37 . . . . 0.0 110.62 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.479 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.07 65.96 0.5 Allowed Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.702 -0.761 . . . . 0.0 113.155 179.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.856 ' CE1' HD22 ' A' ' 7' ' ' LEU . 8.4 m-85 -167.75 142.89 3.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.756 0.312 . . . . 0.0 111.074 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.13 119.13 37.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.671 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.439 -1.2 . . . . 0.0 112.555 180.0 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.889 0.376 . . . . 0.0 111.228 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.6 m -65.46 138.0 23.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.056 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.1 p -99.84 130.22 26.92 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.818 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -41.34 148.81 0.24 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.902 2.401 . . . . 0.0 112.902 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -73.71 79.73 1.54 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.591 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.8 mt -137.19 106.42 4.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.14 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.8 HD22 ' CD1' ' A' ' 27' ' ' TYR . 82.0 mt -54.02 140.09 32.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.401 ' O ' ' CA ' ' A' ' 27' ' ' TYR . 1.4 tt -158.97 125.63 4.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.792 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.427 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.9 OUTLIER -99.7 131.96 45.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.163 -179.651 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -153.58 161.74 41.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.91 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.11 -59.96 2.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.642 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.77 133.91 33.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.626 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.685 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -56.03 -34.83 66.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.244 -179.581 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.68 -33.98 61.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 179.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.33 -34.56 24.21 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.578 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.46 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.5 t -50.68 174.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.014 0.435 . . . . 0.0 111.029 -179.226 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 pp -118.81 169.13 10.11 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.135 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 53.06 -124.89 2.35 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.578 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.78 54.33 1.08 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.836 0.351 . . . . 0.0 110.754 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 m -131.9 172.9 11.75 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.301 -0.409 . . . . 0.0 109.904 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.482 HG22 ' OXT' ' A' ' 29' ' ' GLY . 23.2 m -119.79 160.24 20.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.348 0.594 . . . . 0.0 111.714 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.685 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 17.5 m -99.19 133.56 43.3 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.977 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.539 HD12 ' HB2' ' A' ' 27' ' ' TYR . 2.7 mt -99.76 144.56 28.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.987 0.422 . . . . 0.0 111.359 -179.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -54.86 -46.71 74.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.45 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.467 ' NE2' HD13 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -53.72 -27.05 25.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.913 0.387 . . . . 0.0 110.528 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.465 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.27 65.9 0.5 Allowed Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.686 -0.769 . . . . 0.0 113.091 179.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.8 ' CD1' HD22 ' A' ' 7' ' ' LEU . 32.2 m-85 -165.78 144.99 6.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.867 0.365 . . . . 0.0 111.163 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.16 111.66 23.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.561 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.482 ' OXT' HG22 ' A' ' 21' ' ' VAL . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.55 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.832 0.348 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.9 t -66.84 76.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.064 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.0 p -161.47 130.12 3.01 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.774 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo -44.13 130.38 8.38 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.619 2.213 . . . . 0.0 112.6 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.98 79.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.0 pt -136.66 130.43 46.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.118 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.98 HD22 ' CE1' ' A' ' 27' ' ' TYR . 68.4 mt -57.49 140.08 51.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -163.65 115.68 1.43 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.431 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 14.3 pt-20 -99.74 132.45 45.07 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.04 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -152.27 162.72 40.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.982 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.62 -56.59 3.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.584 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -92.01 140.05 30.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.507 179.707 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.704 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -60.41 -34.83 74.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.339 -179.548 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.13 -34.12 59.55 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.231 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 2.0 m-20 -52.04 -34.3 42.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.818 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.462 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.6 t -48.47 172.6 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.126 0.488 . . . . 0.0 111.255 -179.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 pp -116.38 169.69 9.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.169 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 52.24 -124.82 2.32 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.666 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -121.49 55.43 1.08 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.861 0.362 . . . . 0.0 110.78 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.2 m -132.47 179.93 5.83 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.001 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.468 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 23.0 m -124.96 160.71 29.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.357 0.598 . . . . 0.0 111.777 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.704 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 18.1 m -99.22 133.37 43.62 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.054 -0.976 . . . . 0.0 109.953 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.654 HD13 ' CE1' ' A' ' 25' ' ' HIS . 3.8 mt -99.7 144.52 28.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.02 0.438 . . . . 0.0 111.483 -179.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -55.08 -45.65 75.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.031 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.654 ' CE1' HD13 ' A' ' 23' ' ' LEU . 11.3 p-80 -56.46 -23.54 39.63 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.712 0.291 . . . . 0.0 110.744 -179.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.485 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 110.5 65.84 0.54 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.603 -0.808 . . . . 0.0 113.406 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.98 ' CE1' HD22 ' A' ' 7' ' ' LEU . 7.2 m-85 -168.44 147.41 4.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.827 0.346 . . . . 0.0 110.753 179.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.08 115.48 29.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.728 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.4 ' O ' HG22 ' A' ' 21' ' ' VAL . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.415 -1.214 . . . . 0.0 112.481 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.931 0.396 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.438 ' O ' HG23 ' A' ' 2' ' ' VAL . 11.4 m -102.8 77.49 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.8 p -132.14 130.23 21.97 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.816 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -44.81 126.0 6.98 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.561 2.174 . . . . 0.0 112.468 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.04 79.73 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.814 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.705 HD11 ' CD2' ' A' ' 17' ' ' LEU . 2.2 pt -126.67 135.53 63.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.099 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.888 HD22 ' CE1' ' A' ' 27' ' ' TYR . 93.8 mt -58.66 135.06 57.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -162.8 116.76 1.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.82 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.435 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -99.91 130.62 46.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.137 -179.776 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.81 159.87 40.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.019 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -83.3 -58.11 2.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.681 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -85.52 132.04 34.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.705 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.702 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 3.9 m-20 -57.67 -34.9 69.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.154 -179.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.2 m -54.43 -33.68 59.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.727 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -52.42 -34.36 48.04 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.65 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.497 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.7 t -47.28 171.12 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.27 0.557 . . . . 0.0 111.57 -178.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.705 ' CD2' HD11 ' A' ' 6' ' ' ILE . 3.4 pp -102.93 158.09 16.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.532 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 49.46 -151.32 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.524 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.98 58.62 3.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.648 0.261 . . . . 0.0 110.949 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.2 m -128.49 -172.53 2.73 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.456 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 16.5 m -133.39 158.89 43.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.56 0.695 . . . . 0.0 112.099 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.702 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 9.4 m -99.44 138.12 36.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.867 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.592 HD13 ' NE2' ' A' ' 25' ' ' HIS . 8.2 mt -99.75 143.0 30.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.051 0.453 . . . . 0.0 111.706 -178.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -55.77 -48.24 75.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.71 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.592 ' NE2' HD13 ' A' ' 23' ' ' LEU . 6.8 p-80 -56.61 -23.21 39.38 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.786 0.327 . . . . 0.0 110.708 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.496 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 111.08 66.02 0.53 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.634 -0.793 . . . . 0.0 113.224 179.072 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.888 ' CE1' HD22 ' A' ' 7' ' ' LEU . 8.1 m-85 -168.91 143.26 3.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.831 0.348 . . . . 0.0 111.011 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -99.17 123.6 43.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.575 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.324 -1.265 . . . . 0.0 112.543 -179.921 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.849 0.357 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.0 p -110.06 138.46 37.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.196 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.9 p -104.59 130.27 23.53 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.745 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.4 ' HD2' HD11 ' A' ' 17' ' ' LEU . 99.9 Cg_exo -43.93 139.72 5.47 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.6 2.2 . . . . 0.0 112.583 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.59 79.75 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.784 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.415 ' O ' HD12 ' A' ' 6' ' ' ILE . 2.2 pp -139.42 133.06 38.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.062 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.914 HD22 ' CE1' ' A' ' 27' ' ' TYR . 52.3 mt -57.92 140.01 53.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.086 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.411 HD13 ' CD1' ' A' ' 6' ' ' ILE . 0.1 OUTLIER -159.75 113.66 2.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.705 179.884 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.428 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 4.0 pt-20 -99.62 130.58 45.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.82 158.15 38.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.967 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.96 -66.29 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.653 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.33 137.64 35.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.632 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.719 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 4.0 m-20 -59.92 -34.9 73.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.312 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 t -54.3 -34.1 60.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.083 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.79 -34.46 40.04 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.868 -179.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.475 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.9 t -47.79 171.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.152 0.501 . . . . 0.0 111.37 -179.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.402 HD21 HD11 ' A' ' 6' ' ' ILE . 3.9 pp -112.85 168.77 9.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.189 -179.491 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 52.7 -124.98 2.36 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.762 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -122.41 55.19 1.16 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.866 0.365 . . . . 0.0 110.789 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.3 m -130.91 179.18 6.13 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.128 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.446 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 19.9 m -122.09 158.55 25.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.294 0.569 . . . . 0.0 111.78 -179.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.719 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 15.3 m -99.33 133.27 43.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.962 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.507 HD12 ' CB ' ' A' ' 27' ' ' TYR . 3.6 mt -99.66 144.25 28.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.917 0.389 . . . . 0.0 111.418 -179.258 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -46.35 76.52 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.555 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.454 ' NE2' HD13 ' A' ' 23' ' ' LEU . 0.9 OUTLIER -55.26 -24.63 29.09 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.823 0.344 . . . . 0.0 110.646 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.468 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 110.6 66.59 0.55 Allowed Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.671 -0.776 . . . . 0.0 113.304 179.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.914 ' CE1' HD22 ' A' ' 7' ' ' LEU . 16.8 m-85 -166.73 143.67 4.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.846 0.355 . . . . 0.0 111.151 179.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.18 113.43 25.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.609 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.338 -1.257 . . . . 0.0 112.636 -179.91 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 120.734 0.302 . . . . 0.0 111.325 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.6 m -110.14 70.97 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.156 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.7 p -126.02 130.11 24.08 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -47.03 149.99 3.09 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.491 2.127 . . . . 0.0 112.593 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -77.34 79.7 3.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.636 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.9 mt -133.9 118.38 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.228 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.928 HD22 ' CE1' ' A' ' 27' ' ' TYR . 34.9 mt -57.44 140.1 51.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.401 HD13 ' CD2' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -162.99 122.07 2.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.786 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.445 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 10.6 pt-20 -99.81 131.74 45.6 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.198 -179.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.83 162.26 40.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.042 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -85.85 -61.77 1.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.694 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -81.85 128.76 34.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.536 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.67 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -54.09 -34.89 61.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.273 -179.516 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.7 t -54.72 -33.91 61.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.796 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -51.38 -34.34 33.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.678 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.492 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -48.61 172.75 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.125 0.488 . . . . 0.0 111.29 -179.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.401 ' CD2' HD13 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -113.33 171.01 7.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.229 -179.391 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 50.9 -124.92 2.27 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.752 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -122.97 56.54 1.15 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.942 0.401 . . . . 0.0 110.622 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -131.59 -171.45 2.61 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.069 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.472 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 19.5 m -130.34 160.65 41.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.43 0.633 . . . . 0.0 111.849 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.67 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 13.4 m -99.33 134.96 41.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.901 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.457 HD12 ' CB ' ' A' ' 27' ' ' TYR . 4.2 mt -99.8 144.72 28.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.005 0.431 . . . . 0.0 111.475 -179.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -56.36 -48.14 77.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.518 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.456 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -53.51 -26.28 20.17 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.925 0.393 . . . . 0.0 110.557 -179.848 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.463 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.69 64.81 0.47 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.674 -0.774 . . . . 0.0 113.118 179.045 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.928 ' CE1' HD22 ' A' ' 7' ' ' LEU . 8.3 m-85 -166.65 145.8 5.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.705 0.288 . . . . 0.0 111.01 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.19 116.8 32.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.639 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.328 -1.262 . . . . 0.0 112.579 179.967 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.885 0.374 . . . . 0.0 111.259 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.579 HG13 ' O ' ' A' ' 2' ' ' VAL . 12.7 p -82.17 113.12 20.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.184 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.3 p -101.34 130.23 25.28 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.805 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -41.23 134.82 2.82 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.745 2.297 . . . . 0.0 112.856 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.96 79.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.67 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.1 mt -128.6 131.37 68.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.022 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.716 HD12 ' CE1' ' A' ' 27' ' ' TYR . 3.0 mm? -69.64 137.4 52.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.773 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -163.23 118.75 1.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.675 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.436 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -99.66 131.97 45.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.164 -179.759 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.99 160.21 40.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.8 -52.64 5.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.664 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -89.28 131.9 35.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.566 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.672 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -57.55 -34.88 69.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.216 -179.537 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.2 p -55.38 -33.74 63.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.755 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -51.1 -34.43 30.44 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.626 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.473 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.6 t -49.25 173.35 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.076 0.465 . . . . 0.0 111.141 -179.175 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.89 171.05 8.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.04 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 53.22 -124.78 2.33 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.646 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.41 56.24 1.12 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.775 0.321 . . . . 0.0 110.814 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -134.71 -178.08 4.91 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.202 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.481 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 20.9 m -126.01 162.0 30.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.297 0.57 . . . . 0.0 111.595 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.672 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 16.6 m -99.3 133.83 43.03 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.106 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.628 HD13 ' CE1' ' A' ' 25' ' ' HIS . 4.0 mt -99.83 144.58 28.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.121 0.486 . . . . 0.0 111.43 -179.049 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -55.48 -46.25 76.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.004 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.628 ' CE1' HD13 ' A' ' 23' ' ' LEU . 10.7 p-80 -56.08 -23.76 35.87 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.834 0.35 . . . . 0.0 110.874 -179.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.495 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 110.95 65.6 0.53 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.681 -0.771 . . . . 0.0 113.374 178.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.716 ' CE1' HD12 ' A' ' 7' ' ' LEU . 7.4 m-85 -168.57 146.95 4.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.834 0.349 . . . . 0.0 111.027 179.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.21 117.02 32.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.599 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.425 -1.209 . . . . 0.0 112.429 -179.951 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.873 0.368 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.1 m -91.21 138.72 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.017 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.0 p -100.03 130.32 26.48 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.751 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.588 ' HB2' HD13 ' A' ' 6' ' ' ILE . 82.5 Cg_exo -41.91 150.11 0.24 Allowed 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.841 2.361 . . . . 0.0 112.78 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.62 ' C ' HD12 ' A' ' 6' ' ' ILE . 1.1 mpp_? -81.64 80.64 7.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.077 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.62 HD12 ' C ' ' A' ' 5' ' ' ARG . 4.6 mp -146.49 127.22 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.948 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.967 HD22 ' CE1' ' A' ' 27' ' ' TYR . 93.9 mt -55.3 140.07 40.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.174 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.13 116.85 3.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.62 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.431 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -99.55 132.52 44.83 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.174 -179.623 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.11 162.43 41.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.931 -179.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.45 -64.56 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.666 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.7 133.83 34.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.557 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.694 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -55.25 -34.86 64.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.333 -179.591 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 m -54.51 -33.96 60.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.738 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -50.6 -34.46 26.06 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.65 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.476 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -49.98 174.11 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.997 0.427 . . . . 0.0 111.129 -179.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.522 HD11 ' HD2' ' A' ' 4' ' ' PRO . 2.8 pp -117.14 167.99 10.69 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.141 -179.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 52.98 -124.98 2.37 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.643 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -120.74 55.44 1.03 Allowed 'General case' 0 N--CA 1.456 -0.155 0 CA-C-O 120.94 0.4 . . . . 0.0 110.711 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.3 m -132.41 172.52 12.36 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.956 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.444 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 20.4 m -118.63 158.8 19.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.329 0.585 . . . . 0.0 111.764 -179.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.694 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 18.6 m -99.29 133.16 43.99 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.111 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.622 HD12 ' HB2' ' A' ' 27' ' ' TYR . 2.4 mt -99.73 144.77 28.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.015 0.436 . . . . 0.0 111.348 -179.166 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.13 -46.17 75.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.532 -179.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.443 ' NE2' HD13 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -54.33 -26.07 27.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.811 0.338 . . . . 0.0 110.597 -179.865 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.474 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 111.72 65.74 0.51 Allowed Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.585 -0.817 . . . . 0.0 113.183 179.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.967 ' CE1' HD22 ' A' ' 7' ' ' LEU . 22.8 m-85 -165.69 145.71 6.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.903 0.382 . . . . 0.0 110.991 179.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.25 110.62 23.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.601 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.344 -1.253 . . . . 0.0 112.582 -179.934 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.856 0.36 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.2 t -109.98 118.59 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.058 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.6 p -100.81 130.13 25.96 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.808 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo -44.47 147.96 1.46 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.541 2.16 . . . . 0.0 112.694 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.712 ' O ' HD13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -74.62 79.59 2.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.992 0.425 . . . . 0.0 110.701 179.86 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.712 HD13 ' O ' ' A' ' 5' ' ' ARG . 26.7 mm -131.18 140.04 49.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.053 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.729 HD12 ' CE1' ' A' ' 27' ' ' TYR . 2.9 mm? -72.12 140.01 48.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -164.08 117.89 1.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.796 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.444 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 9.8 pt-20 -99.79 132.47 45.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.258 -179.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -156.17 160.31 39.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.99 -179.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.6 mtpp -83.13 -64.27 1.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.649 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.0 tttm -81.12 130.17 34.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.416 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.697 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -54.27 -34.9 61.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.4 -179.535 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.86 -33.94 57.87 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 179.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -51.23 -34.24 31.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.685 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.486 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.7 t -49.23 173.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.092 0.472 . . . . 0.0 111.174 -179.108 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.51 HD12 ' CB ' ' A' ' 18' ' ' ALA . 3.9 pp -112.77 169.16 9.1 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.266 -179.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.51 ' CB ' HD12 ' A' ' 17' ' ' LEU . . . 50.73 -124.95 2.25 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.795 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -121.5 54.01 1.15 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.818 0.342 . . . . 0.0 110.805 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.3 m -127.14 -173.13 2.82 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.985 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.45 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 18.7 m -130.22 158.89 42.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.367 0.603 . . . . 0.0 111.82 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.697 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 14.9 m -99.39 134.68 41.9 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.932 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.491 HD12 ' CB ' ' A' ' 27' ' ' TYR . 3.7 mt -99.62 144.63 28.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.862 0.363 . . . . 0.0 111.521 -179.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -55.81 -48.28 75.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.523 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.451 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -53.14 -26.34 16.48 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.835 0.35 . . . . 0.0 110.512 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.469 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.16 66.24 0.5 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.65 -0.786 . . . . 0.0 113.188 179.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.729 ' CE1' HD12 ' A' ' 7' ' ' LEU . 8.0 m-85 -167.14 145.53 4.96 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.775 0.321 . . . . 0.0 110.895 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.07 114.87 27.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.647 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.569 -179.914 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.766 0.317 . . . . 0.0 111.282 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.435 ' O ' HG23 ' A' ' 2' ' ' VAL . 11.0 m -95.05 76.97 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 27.4 p -143.42 130.19 10.51 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.82 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 99.8 Cg_exo -43.81 141.08 4.35 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.6 2.2 . . . . 0.0 112.68 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.48 79.46 0.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.634 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -134.68 129.7 52.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.009 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.978 HD22 ' CE1' ' A' ' 27' ' ' TYR . 79.8 mt -58.24 140.1 53.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -162.67 111.95 1.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.752 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.431 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 1.6 pt-20 -99.72 130.74 45.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.121 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -153.46 168.14 27.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.006 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.51 -67.86 0.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.663 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -81.06 133.44 35.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.484 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.675 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 3.9 m-20 -54.81 -34.9 63.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.337 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.0 m -54.46 -33.89 60.48 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -51.4 -34.47 34.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.722 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.49 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -48.47 172.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.137 0.494 . . . . 0.0 111.261 -179.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.1 pp -114.02 170.77 8.03 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.055 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 51.5 -124.84 2.29 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.768 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.428 ' HB2' HG23 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -123.3 57.09 1.16 Allowed 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 121.003 0.43 . . . . 0.0 110.699 179.754 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -131.46 -170.76 2.44 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.081 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.494 HG22 ' OXT' ' A' ' 29' ' ' GLY . 21.8 m -132.21 159.37 43.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.294 0.569 . . . . 0.0 111.599 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.675 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 17.4 m -99.3 133.04 44.18 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.115 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.479 HD12 ' CB ' ' A' ' 27' ' ' TYR . 3.4 mt -99.75 144.94 28.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.442 -179.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -55.91 -47.9 76.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.541 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.452 ' NE2' HD13 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -53.39 -25.99 17.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.752 0.311 . . . . 0.0 110.557 -179.827 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.467 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 111.83 65.44 0.5 Allowed Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.686 -0.768 . . . . 0.0 113.085 179.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.978 ' CE1' HD22 ' A' ' 7' ' ' LEU . 12.8 m-85 -166.4 145.2 5.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.767 0.317 . . . . 0.0 110.974 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 0.5 OUTLIER -99.19 114.45 27.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.695 179.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.494 ' OXT' HG22 ' A' ' 21' ' ' VAL . . . . . . . . 0 C--O 1.248 1.03 0 CA-C-O 118.403 -1.22 . . . . 0.0 112.541 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.836 0.351 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 32.5 m -84.22 133.0 30.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.231 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 27.1 p -107.43 130.22 23.14 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.791 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -41.07 134.53 2.64 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.848 2.365 . . . . 0.0 112.845 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -67.04 79.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.0 tp -131.53 127.79 59.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.944 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.888 HD22 ' CE1' ' A' ' 27' ' ' TYR . 60.5 mt -55.75 137.37 49.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -160.5 113.86 2.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.716 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.446 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.8 OUTLIER -99.98 128.96 46.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.157 -179.744 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -156.05 158.05 37.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -82.12 -59.4 2.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.647 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.5 tttp -81.99 130.74 35.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.491 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.686 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -58.73 -35.04 72.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.299 -179.495 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 72.2 m -54.45 -33.79 60.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -52.55 -34.38 49.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.732 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.483 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -46.69 170.84 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.239 0.542 . . . . 0.0 111.539 -178.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 pp -106.55 161.87 14.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.549 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 50.19 -146.16 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.501 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -98.58 59.19 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.754 0.311 . . . . 0.0 110.931 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -130.5 -171.27 2.51 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.459 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 17.0 m -133.97 159.24 42.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.402 0.62 . . . . 0.0 111.847 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.686 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 9.9 m -99.43 134.56 42.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.88 -1.055 . . . . 0.0 109.865 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 27' ' ' TYR . 5.7 mt -99.73 143.23 30.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.04 0.448 . . . . 0.0 111.519 -178.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.08 -47.22 78.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.547 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.445 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 1.4 p-80 -55.06 -25.68 32.43 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.854 0.359 . . . . 0.0 110.634 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.475 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.73 64.64 0.47 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.663 -0.78 . . . . 0.0 113.117 179.099 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.888 ' CE1' HD22 ' A' ' 7' ' ' LEU . 8.2 m-85 -167.21 143.35 4.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.838 0.352 . . . . 0.0 111.108 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.16 117.47 33.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.656 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.49 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 28.2 ptt180 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.972 0.415 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 20.7 t -109.99 97.74 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.249 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.3 p -123.85 130.06 24.57 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.821 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -48.26 155.83 1.86 Allowed 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.524 2.149 . . . . 0.0 112.479 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.464 ' O ' HD13 ' A' ' 6' ' ' ILE . 1.0 OUTLIER -81.21 79.57 7.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.089 0.471 . . . . 0.0 110.703 179.802 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.464 HD13 ' O ' ' A' ' 5' ' ' ARG . 23.4 mm -130.28 122.05 52.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.057 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.988 HD22 ' CE1' ' A' ' 27' ' ' TYR . 62.1 mt -57.98 140.07 53.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -164.53 118.68 1.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.727 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.44 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.6 OUTLIER -99.87 130.66 46.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.174 -179.726 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -153.93 163.49 39.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.008 -179.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.42 -66.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.696 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.87 132.71 35.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.59 179.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.691 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.7 OUTLIER -55.52 -34.83 65.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.356 -179.54 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.2 t -54.71 -33.93 61.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.81 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -51.08 -34.49 30.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.673 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.492 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -48.49 172.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.029 0.442 . . . . 0.0 111.396 -179.105 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 pp -110.56 170.58 7.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.156 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 51.44 -124.94 2.3 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.786 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -124.25 54.1 1.38 Allowed 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 120.812 0.339 . . . . 0.0 110.75 179.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -126.81 -168.81 1.92 Allowed 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.097 179.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.457 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 17.9 m -131.73 158.76 43.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.393 0.616 . . . . 0.0 111.985 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.691 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 13.0 m -99.42 135.03 41.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.003 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.555 HD12 ' CB ' ' A' ' 27' ' ' TYR . 4.2 mt -99.69 143.28 30.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.908 0.385 . . . . 0.0 111.44 -179.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -46.39 77.38 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.487 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.452 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -55.79 -25.24 40.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.774 0.321 . . . . 0.0 110.602 -179.77 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.474 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.18 66.15 0.5 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.605 -0.807 . . . . 0.0 113.199 179.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.988 ' CE1' HD22 ' A' ' 7' ' ' LEU . 8.2 m-85 -167.06 143.92 4.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.766 0.317 . . . . 0.0 111.025 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.1 113.74 26.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.58 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.368 -1.24 . . . . 0.0 112.493 -179.922 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.853 0.359 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.5 m -110.06 140.04 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.7 p -99.88 130.35 26.59 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.685 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -40.93 132.1 2.81 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.724 2.283 . . . . 0.0 112.792 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.414 ' NH1' ' HB2' ' A' ' 5' ' ' ARG . 0.8 OUTLIER -65.45 79.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.754 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.476 ' O ' HG23 ' A' ' 6' ' ' ILE . 7.8 tp -132.19 121.39 46.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.439 HD22 ' CD1' ' A' ' 27' ' ' TYR . 72.5 mt -53.91 140.03 32.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.029 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -160.3 120.8 2.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.98 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.441 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 1.8 pt-20 -100.15 129.48 46.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.074 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.49 164.74 38.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.939 0.399 . . . . 0.0 111.073 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.66 -66.33 0.91 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.777 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -80.54 130.63 35.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.528 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.672 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -54.61 -34.91 62.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.503 -179.496 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.4 t -52.84 -33.97 51.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.028 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.13 -34.27 56.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.77 -179.448 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.497 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.7 t -46.87 171.01 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.26 0.552 . . . . 0.0 111.537 -178.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 pp -104.52 157.21 17.32 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.535 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 49.52 -151.25 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.503 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -89.87 58.38 4.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.73 0.3 . . . . 0.0 110.967 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.5 m -129.16 -173.79 3.09 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.458 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 18.5 m -133.98 158.39 42.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.512 0.672 . . . . 0.0 112.093 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.672 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 11.6 m -99.35 135.87 40.13 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.908 179.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.588 HD13 ' NE2' ' A' ' 25' ' ' HIS . 8.5 mt -99.77 142.87 30.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.089 0.471 . . . . 0.0 111.505 -179.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -46.27 77.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.789 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.588 ' NE2' HD13 ' A' ' 23' ' ' LEU . 8.0 p-80 -58.43 -22.09 53.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.873 0.368 . . . . 0.0 110.846 -179.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.487 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 110.25 65.04 0.53 Allowed Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.681 -0.771 . . . . 0.0 113.331 179.053 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.487 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 7.7 m-85 -168.39 142.56 3.29 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.787 0.327 . . . . 0.0 110.913 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.23 121.63 41.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.649 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.353 -1.248 . . . . 0.0 112.506 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.84 0.353 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.2 p -100.39 138.41 24.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.0 p -173.57 130.29 0.53 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.788 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_exo -43.06 135.06 5.65 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.619 2.213 . . . . 0.0 112.689 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.506 ' O ' HD13 ' A' ' 6' ' ' ILE . 11.2 ttt85 -68.05 79.62 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.506 HD13 ' O ' ' A' ' 5' ' ' ARG . 24.9 mm -131.98 123.29 50.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.031 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.935 HD22 ' CE1' ' A' ' 27' ' ' TYR . 81.4 mt -57.02 139.76 51.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.403 ' O ' ' CA ' ' A' ' 27' ' ' TYR . 1.1 tt -164.47 118.54 1.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.759 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.418 ' CB ' ' CA ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -99.75 132.2 45.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 -179.636 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.65 162.44 41.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.945 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -84.47 -62.92 1.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.684 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -84.26 132.1 34.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.6 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.691 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 3.9 m-20 -54.02 -34.85 61.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.35 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.2 t -54.54 -33.8 60.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -51.17 -34.33 30.99 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.683 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.486 ' N ' ' SG ' ' A' ' 22' ' ' CYS . 1.8 t -49.17 173.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.071 0.462 . . . . 0.0 111.29 -178.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.542 HD12 ' C ' ' A' ' 17' ' ' LEU . 4.5 pp -113.75 171.59 7.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.14 -179.408 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.462 ' CB ' HD12 ' A' ' 17' ' ' LEU . . . 50.91 -124.81 2.26 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.761 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.1 55.46 1.29 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.819 0.343 . . . . 0.0 110.81 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -128.87 -168.66 1.95 Allowed 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.257 -0.428 . . . . 0.0 109.912 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.461 ' HB ' ' HB3' ' A' ' 13' ' ' ASP . 19.8 m -133.59 159.62 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.392 0.615 . . . . 0.0 111.821 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.691 ' HB2' ' HA ' ' A' ' 13' ' ' ASP . 18.8 m -99.35 134.89 41.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.906 179.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.499 HD13 ' CE1' ' A' ' 25' ' ' HIS . 16.3 mt -99.74 142.54 31.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.049 0.452 . . . . 0.0 111.47 -178.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.82 -46.15 67.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.626 -0.716 . . . . 0.0 112.372 -179.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.499 ' CE1' HD13 ' A' ' 23' ' ' LEU . 7.7 p-80 -58.73 -24.21 61.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.816 0.341 . . . . 0.0 111.019 -179.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.496 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . 112.85 68.66 0.52 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.622 -0.799 . . . . 0.0 113.164 179.127 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.935 ' CE1' HD22 ' A' ' 7' ' ' LEU . 7.9 m-85 -168.69 145.17 3.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.751 0.31 . . . . 0.0 110.898 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.95 113.02 24.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.574 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.32 -1.267 . . . . 0.0 112.504 -179.872 . . . . . . . . 0 0 . 1 stop_ save_