data_1wm7_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 1wm7 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 82.3 p . . . . . 0 N--CA 1.432 -1.333 0 N-CA-C 111.131 0.048 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 27.4 p -75.76 9.59 2.24 Favored 'General case' 0 N--CA 1.414 -2.27 0 O-C-N 119.559 -1.963 . . . . 0.0 107.603 171.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -68.59 -10.39 55.6 Favored 'General case' 0 C--N 1.418 3.579 0 O-C-N 120.696 -1.253 . . . . 0.0 109.81 164.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -95.13 1.47 54.87 Favored 'General case' 0 C--N 1.379 1.861 0 O-C-N 117.905 -2.997 . . . . 0.0 106.611 176.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.551 ' N ' ' HD3' ' A' ' 7' ' ' PRO 0.318 78.5 m -103.13 -13.74 0.16 Allowed Pre-proline 0 N--CA 1.405 -2.699 0 O-C-N 119.214 -2.179 . . . . 0.0 115.182 -177.556 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.56 ' HA ' ' HB2' ' A' ' 17' ' ' ALA . 0.4 OUTLIER -81.32 -3.96 12.27 Favored 'Trans proline' 2 C--N 1.428 4.758 0 CA-C-N 125.387 2.96 . . . . 0.0 108.358 -155.524 . . . . . . . . 4 4 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -98.5 -10.67 23.2 Favored 'General case' 0 N--CA 1.392 -3.331 0 O-C-N 120.251 -1.53 . . . . 0.0 108.224 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.469 ' ND1' ' O ' ' A' ' 9' ' ' HIS . 13.2 t-80 -86.18 -14.71 43.2 Favored 'General case' 0 N--CA 1.411 -2.379 0 O-C-N 119.743 -1.848 . . . . 0.0 111.258 -163.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.429 ' O ' ' SG ' ' A' ' 10' ' ' CYS . 54.0 t -95.93 2.11 53.32 Favored 'General case' 0 C--N 1.376 1.738 0 O-C-N 118.167 -2.833 . . . . 0.0 106.399 174.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.431 ' HA ' ' O ' ' A' ' 15' ' ' ALA . . . -75.08 -15.31 60.62 Favored 'General case' 0 CA--C 1.463 -2.399 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 173.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.9 m -53.83 -31.11 48.09 Favored 'General case' 0 N--CA 1.389 -3.519 0 O-C-N 121.995 -0.44 . . . . 0.0 110.51 176.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 -117.01 -65.87 1.14 Allowed 'General case' 0 C--N 1.401 2.838 0 O-C-N 119.61 -1.931 . . . . 0.0 109.101 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . 0.312 42.7 m-20 -125.06 -18.83 5.35 Favored 'General case' 0 CA--C 1.47 -2.106 0 O-C-N 118.922 -2.361 . . . . 0.0 111.314 -169.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.667 ' HB1' ' O ' ' A' ' 27' ' ' GLU . . . -139.57 -148.61 0.26 Allowed 'General case' 0 N--CA 1.391 -3.393 0 C-N-CA 117.371 -1.732 . . . . 0.0 113.811 -141.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -136.25 -156.48 0.71 Allowed 'General case' 0 N--CA 1.393 -3.284 0 N-CA-C 100.408 -3.923 . . . . 0.0 100.408 169.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.56 ' HB2' ' HA ' ' A' ' 7' ' ' PRO . . . -160.32 166.26 29.78 Favored 'General case' 0 C--N 1.405 2.998 1 CA-C-N 128.815 5.279 . . . . 0.0 118.598 -178.617 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.427 ' NZ ' ' HB3' ' A' ' 18' ' ' LYS 0.317 2.6 mmmp? -177.19 146.0 0.48 Allowed 'General case' 0 C--N 1.427 3.942 0 N-CA-C 101.835 -3.394 . . . . 0.0 101.835 -171.524 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.423 ' HA ' ' SG ' ' A' ' 24' ' ' CYS . 42.2 t 178.29 57.2 0.01 OUTLIER 'General case' 0 C--N 1.423 3.771 3 CA-C-N 129.425 5.557 . . . . 0.0 96.716 -7.88 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.739 ' HB3' ' O ' ' A' ' 23' ' ' LYS . 56.3 t0 -73.34 -148.17 0.02 OUTLIER 'General case' 0 C--N 1.417 3.529 0 CA-C-O 117.493 -1.241 . . . . 0.0 109.31 -157.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -61.37 -30.12 70.33 Favored 'General case' 0 C--N 1.428 3.982 0 CA-C-N 124.011 3.096 . . . . 0.0 107.531 -172.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -173.56 25.73 0.01 OUTLIER 'General case' 0 C--N 1.401 2.809 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 161.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.739 ' O ' ' HB3' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -153.77 124.6 7.25 Favored 'General case' 0 C--N 1.394 2.509 0 N-CA-C 104.076 -2.565 . . . . 0.0 104.076 -179.443 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.474 ' HA ' ' H ' ' A' ' 20' ' ' ASP . 16.7 m -112.72 173.18 6.5 Favored 'General case' 0 C--N 1.39 2.339 0 O-C-N 118.861 -2.4 . . . . 0.0 116.66 -143.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.517 HG23 ' H ' ' A' ' 26' ' ' CYS . 15.0 p -150.28 -153.42 0.03 OUTLIER 'Isoleucine or valine' 1 C--N 1.431 4.122 0 O-C-N 120.235 -1.541 . . . . 0.0 109.085 -175.904 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.517 ' H ' HG23 ' A' ' 25' ' ' VAL . 58.8 m -85.09 160.54 19.96 Favored 'General case' 0 C--N 1.388 2.281 0 CA-C-N 125.842 3.928 . . . . 0.0 120.052 -140.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.667 ' O ' ' HB1' ' A' ' 15' ' ' ALA . 96.2 mt-10 -133.44 165.64 35.2 Favored Pre-proline 1 C--N 1.437 4.382 0 N-CA-C 103.954 -2.61 . . . . 0.0 103.954 163.738 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -81.0 167.74 17.85 Favored 'Trans proline' 0 C--N 1.4 3.254 0 CA-C-N 126.552 3.376 . . . . 0.0 109.002 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt . . . . . 0 C--N 1.38 1.923 0 O-C-N 120.705 -1.247 . . . . 0.0 108.808 -173.766 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.4 t . . . . . 0 N--CA 1.406 -2.651 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.413 ' HA ' ' SG ' ' A' ' 6' ' ' CYS 0.257 26.0 p -88.99 38.14 0.87 Allowed 'General case' 0 N--CA 1.408 -2.552 0 O-C-N 119.522 -1.986 . . . . 0.0 108.64 -176.772 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -103.91 -1.01 28.33 Favored 'General case' 0 C--N 1.423 3.783 0 O-C-N 120.156 -1.59 . . . . 0.0 107.833 167.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -100.77 -17.14 17.07 Favored 'General case' 0 CA--C 1.469 -2.161 0 N-CA-C 104.856 -2.275 . . . . 0.0 104.856 175.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.554 ' N ' ' HD3' ' A' ' 7' ' ' PRO 0.332 60.7 m -91.44 -17.39 0.22 Allowed Pre-proline 1 N--CA 1.374 -4.266 0 N-CA-C 115.942 1.831 . . . . 0.0 115.942 -173.058 . . . . . . . . 4 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.73 ' HA ' ' HB2' ' A' ' 17' ' ' ALA . 0.4 OUTLIER -79.96 -4.3 13.24 Favored 'Trans proline' 2 C--N 1.438 5.28 0 CA-C-N 124.559 2.664 . . . . 0.0 107.882 -162.011 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -91.25 -12.07 36.3 Favored 'General case' 0 N--CA 1.392 -3.357 0 O-C-N 120.257 -1.527 . . . . 0.0 107.836 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.05 -49.1 10.6 Favored 'General case' 0 N--CA 1.416 -2.134 0 O-C-N 120.464 -1.397 . . . . 0.0 110.488 -166.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.427 ' HB3' ' O ' ' A' ' 25' ' ' VAL . 47.1 t -85.11 2.19 44.54 Favored 'General case' 0 CA--C 1.477 -1.84 0 O-C-N 118.942 -2.348 . . . . 0.0 106.757 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.484 ' HA ' ' O ' ' A' ' 15' ' ' ALA . . . -74.46 -18.75 60.59 Favored 'General case' 0 N--CA 1.393 -3.308 0 O-C-N 120.426 -1.421 . . . . 0.0 107.845 175.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.2 m -59.45 -44.8 92.88 Favored 'General case' 0 N--CA 1.397 -3.12 0 O-C-N 121.51 -0.744 . . . . 0.0 111.465 -174.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -109.98 -38.7 5.26 Favored 'General case' 0 CA--C 1.462 -2.411 0 O-C-N 119.285 -2.134 . . . . 0.0 110.329 -170.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -121.09 -32.85 3.84 Favored 'General case' 0 N--CA 1.407 -2.594 0 O-C-N 119.066 -2.271 . . . . 0.0 112.046 -168.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.526 ' HB1' ' O ' ' A' ' 27' ' ' GLU . . . -156.11 -135.25 0.04 OUTLIER 'General case' 0 N--CA 1.412 -2.363 0 O-C-N 118.898 -2.376 . . . . 0.0 113.85 -156.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -110.55 -135.45 0.36 Allowed 'General case' 0 C--N 1.406 3.028 1 N-CA-C 99.085 -4.413 . . . . 0.0 99.085 166.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.73 ' HB2' ' HA ' ' A' ' 7' ' ' PRO . . . -169.77 154.59 5.43 Favored 'General case' 1 C--N 1.442 4.588 1 CA-C-N 127.378 4.626 . . . . 0.0 116.374 167.065 . . . . . . . . 4 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.497 ' HE3' ' SG ' ' A' ' 19' ' ' CYS 0.356 29.3 mmmt -165.55 -175.94 3.74 Favored 'General case' 1 C--N 1.463 5.537 0 CA-C-O 115.543 -2.17 . . . . 0.0 108.491 -172.869 . . . . . . . . 4 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.497 ' SG ' ' HE3' ' A' ' 18' ' ' LYS . 83.6 m -128.52 87.96 2.67 Favored 'General case' 0 C--N 1.417 3.511 1 N-CA-C 96.838 -5.245 . . . . 0.0 96.838 -78.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.567 ' H ' ' HA ' ' A' ' 24' ' ' CYS . 42.7 t0 -91.76 173.76 7.7 Favored 'General case' 0 C--N 1.399 2.722 0 O-C-N 120.317 -1.49 . . . . 0.0 109.429 -157.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -50.42 -28.28 7.92 Favored 'General case' 1 C--N 1.437 4.376 0 CA-C-N 121.752 2.069 . . . . 0.0 110.795 -168.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -145.79 -1.23 0.79 Allowed 'General case' 0 N--CA 1.401 -2.876 0 O-C-N 120.637 -1.289 . . . . 0.0 108.078 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.263 0.0 OUTLIER -127.11 -152.99 0.54 Allowed 'General case' 0 CA--C 1.461 -2.45 0 O-C-N 119.405 -2.06 . . . . 0.0 106.722 -177.749 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.567 ' HA ' ' H ' ' A' ' 20' ' ' ASP 0.348 55.9 m -133.92 115.08 13.99 Favored 'General case' 1 N--CA 1.378 -4.043 0 N-CA-C 104.935 -2.246 . . . . 0.0 104.935 159.425 . . . . . . . . 4 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.621 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 10.6 p -99.25 -91.73 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.389 2.287 0 CA-C-N 122.694 2.497 . . . . 0.0 107.951 -172.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.577 ' H ' HG12 ' A' ' 25' ' ' VAL . 82.3 m -132.18 154.35 49.64 Favored 'General case' 0 C--N 1.417 3.535 1 CA-C-N 127.515 4.689 . . . . 0.0 113.873 -166.472 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.526 ' O ' ' HB1' ' A' ' 15' ' ' ALA . 23.2 pt-20 -142.51 168.24 13.98 Favored Pre-proline 0 C--N 1.417 3.54 0 N-CA-C 101.834 -3.395 . . . . 0.0 101.834 162.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.5 OUTLIER -80.11 166.22 20.93 Favored 'Trans proline' 0 C--N 1.411 3.825 0 CA-C-N 127.447 3.695 . . . . 0.0 110.127 -171.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt . . . . . 0 C--N 1.386 2.179 0 O-C-N 121.128 -0.982 . . . . 0.0 109.241 -174.062 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.406 ' O ' HG23 ' A' ' 2' ' ' THR . 71.5 m . . . . . 0 N--CA 1.422 -1.874 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 25.7 p -78.72 22.58 0.36 Allowed 'General case' 0 N--CA 1.41 -2.434 0 O-C-N 118.74 -2.475 . . . . 0.0 109.38 -173.083 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -84.58 16.63 3.08 Favored 'General case' 0 C--N 1.399 2.736 0 O-C-N 120.272 -1.518 . . . . 0.0 109.64 163.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.63 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 41.4 t0 -98.2 -37.47 9.68 Favored 'General case' 0 C--N 1.389 2.303 0 O-C-N 118.282 -2.761 . . . . 0.0 117.634 -168.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.631 ' HB2' ' HD3' ' A' ' 7' ' ' PRO 0.255 86.9 m 111.54 -81.71 0.0 OUTLIER Pre-proline 1 C--N 1.478 6.174 3 CA-C-N 133.194 7.27 . . . . 0.0 102.376 13.187 . . . . . . . . 5 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.631 ' HD3' ' HB2' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -38.7 -50.29 2.48 Favored 'Trans proline' 1 C--N 1.467 6.812 0 CA-C-N 126.497 3.356 . . . . 0.0 114.653 169.127 . . . . . . . . 4 4 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -77.29 -16.68 58.86 Favored 'General case' 1 N--CA 1.378 -4.054 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -169.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -81.45 -11.4 59.24 Favored 'General case' 0 N--CA 1.407 -2.578 0 O-C-N 119.857 -1.777 . . . . 0.0 110.717 -174.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 41.8 t -106.09 -5.84 19.12 Favored 'General case' 0 N--CA 1.415 -2.205 0 O-C-N 118.757 -2.465 . . . . 0.0 105.866 178.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.99 -5.49 46.58 Favored 'General case' 0 C--N 1.406 3.027 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 171.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.8 m -49.56 -32.56 12.83 Favored 'General case' 0 N--CA 1.393 -3.319 0 O-C-N 121.833 -0.542 . . . . 0.0 110.316 170.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -146.09 -49.59 0.22 Allowed 'General case' 0 C--N 1.401 2.847 0 O-C-N 119.691 -1.881 . . . . 0.0 111.771 -175.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . 0.269 54.1 m-20 -113.41 -34.03 5.73 Favored 'General case' 0 C--N 1.394 2.532 0 O-C-N 118.108 -2.87 . . . . 0.0 109.93 -173.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.691 ' HB1' ' O ' ' A' ' 27' ' ' GLU . . . -143.73 -140.67 0.12 Allowed 'General case' 0 N--CA 1.411 -2.412 0 C-N-CA 117.439 -1.704 . . . . 0.0 114.42 -148.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.465 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 9.6 ttt85 -143.0 -150.16 0.3 Allowed 'General case' 0 C--N 1.397 2.65 1 N-CA-C 99.27 -4.345 . . . . 0.0 99.27 179.415 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.582 ' N ' ' HA ' ' A' ' 7' ' ' PRO 0.251 . . -160.68 -179.95 8.04 Favored 'General case' 1 C--N 1.433 4.218 2 CA-C-N 130.621 6.101 . . . . 0.0 121.691 177.628 . . . . . . . . 5 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.56 ' HD3' ' HG2' ' A' ' 27' ' ' GLU . 31.4 mmmt -137.71 -126.64 0.13 Allowed 'General case' 1 C--N 1.44 4.511 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 -166.651 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . 0.32 35.4 m -148.38 109.2 4.24 Favored 'General case' 1 C--N 1.438 4.441 0 O-C-N 119.395 -2.066 . . . . 0.0 108.422 -169.111 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.648 ' HB3' ' O ' ' A' ' 23' ' ' LYS . 12.9 t0 -84.09 172.65 11.78 Favored 'General case' 0 C--N 1.403 2.933 0 O-C-N 118.496 -2.628 . . . . 0.0 104.045 170.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.526 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 47.5 t-20 -26.79 -46.87 0.03 OUTLIER 'General case' 0 C--N 1.427 3.968 0 CA-C-N 121.002 1.728 . . . . 0.0 111.178 -178.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -132.19 -39.45 1.05 Allowed 'General case' 0 N--CA 1.416 -2.129 0 O-C-N 119.732 -1.855 . . . . 0.0 109.935 172.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.648 ' O ' ' HB3' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -107.77 160.69 15.53 Favored 'General case' 0 C--N 1.381 1.937 0 O-C-N 119.494 -2.004 . . . . 0.0 106.697 -167.7 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.453 19.3 m -115.65 154.5 29.38 Favored 'General case' 0 N--CA 1.423 -1.776 0 CA-C-N 123.592 2.906 . . . . 0.0 116.003 -151.287 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . 0.262 7.3 p 175.99 148.15 0.05 OUTLIER 'Isoleucine or valine' 1 C--N 1.443 4.671 0 CA-C-O 113.363 -3.208 . . . . 0.0 106.672 -174.818 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.411 ' O ' ' HG2' ' A' ' 18' ' ' LYS 0.303 52.7 m -136.17 159.96 40.14 Favored 'General case' 1 C--N 1.502 7.223 2 CA-C-N 131.586 6.539 . . . . 0.0 105.143 -18.103 . . . . . . . . 5 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.691 ' O ' ' HB1' ' A' ' 15' ' ' ALA 0.277 89.6 mt-10 -130.33 163.6 46.85 Favored Pre-proline 1 C--N 1.428 4.014 0 CA-C-N 122.04 2.2 . . . . 0.0 106.468 174.552 . . . . . . . . 4 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.7 OUTLIER -77.3 160.01 32.77 Favored 'Trans proline' 1 N--CA 1.394 -4.335 0 CA-C-N 124.033 2.476 . . . . 0.0 107.104 173.321 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt . . . . . 0 N--CA 1.425 -1.695 0 O-C-N 121.1 -1.0 . . . . 0.0 108.851 -175.217 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.6 p . . . . . 0 N--CA 1.399 -2.991 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.262 26.9 p -84.85 35.0 0.55 Allowed 'General case' 0 N--CA 1.406 -2.646 0 O-C-N 119.704 -1.873 . . . . 0.0 109.258 178.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.0 tp10 -89.64 -1.36 58.0 Favored 'General case' 0 C--N 1.408 3.139 0 C-N-CA 125.607 1.563 . . . . 0.0 107.298 156.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.673 ' N ' ' HB2' ' A' ' 6' ' ' CYS . 39.7 t0 -92.34 -35.23 13.84 Favored 'General case' 0 C--N 1.39 2.346 0 O-C-N 117.13 -3.481 . . . . 0.0 118.401 -162.032 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.673 ' HB2' ' N ' ' A' ' 5' ' ' ASP 0.259 96.0 m 115.04 -58.75 0.0 OUTLIER Pre-proline 1 C--N 1.483 6.387 3 CA-C-N 133.211 7.278 . . . . 0.0 107.863 6.116 . . . . . . . . 5 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.57 ' HA ' ' HB2' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -88.72 -13.26 3.33 Favored 'Trans proline' 1 C--N 1.424 4.517 0 CA-C-N 125.446 2.981 . . . . 0.0 108.816 -159.312 . . . . . . . . 4 4 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -98.3 -9.56 25.27 Favored 'General case' 0 N--CA 1.4 -2.936 0 O-C-N 119.689 -1.882 . . . . 0.0 106.634 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.49 ' ND1' ' O ' ' A' ' 9' ' ' HIS . 52.7 t-80 -79.65 -1.38 37.93 Favored 'General case' 0 N--CA 1.406 -2.673 0 O-C-N 120.497 -1.377 . . . . 0.0 110.699 -161.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.1 t -113.3 -3.45 13.83 Favored 'General case' 0 N--CA 1.401 -2.911 0 O-C-N 118.872 -2.392 . . . . 0.0 106.972 175.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.96 -22.41 64.12 Favored 'General case' 0 C--N 1.409 3.173 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 171.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.314 91.3 m -37.88 -36.73 0.21 Allowed 'General case' 0 N--CA 1.4 -2.963 0 C-N-CA 123.698 0.799 . . . . 0.0 111.903 169.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . 0.315 15.6 mm100 -129.07 -59.81 1.1 Allowed 'General case' 0 C--N 1.399 2.756 0 O-C-N 120.646 -1.284 . . . . 0.0 108.398 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . 0.278 18.3 m120 -116.36 -29.49 6.19 Favored 'General case' 0 C--N 1.387 2.201 0 O-C-N 119.369 -2.082 . . . . 0.0 112.53 -165.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.75 ' HB1' ' O ' ' A' ' 27' ' ' GLU . . . -142.55 -162.19 1.38 Allowed 'General case' 0 N--CA 1.405 -2.688 0 N-CA-C 117.031 2.234 . . . . 0.0 117.031 -137.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -114.61 -156.9 0.61 Allowed 'General case' 0 N--CA 1.409 -2.522 1 N-CA-C 97.805 -4.887 . . . . 0.0 97.805 167.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.693 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -162.82 158.04 22.18 Favored 'General case' 0 C--N 1.417 3.535 2 CA-C-N 129.968 5.804 . . . . 0.0 119.177 178.368 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.418 ' HG2' ' CG ' ' A' ' 27' ' ' GLU 0.39 7.8 mmpt? -166.26 159.93 15.45 Favored 'General case' 1 C--N 1.437 4.408 0 CA-C-O 115.82 -2.038 . . . . 0.0 106.063 -174.27 . . . . . . . . 4 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 38.7 t -173.58 61.15 0.02 OUTLIER 'General case' 0 C--N 1.415 3.418 3 N-CA-C 93.225 -6.583 . . . . 0.0 93.225 -13.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.584 ' H ' ' HA ' ' A' ' 24' ' ' CYS . 60.1 t0 -77.78 -164.45 0.51 Allowed 'General case' 0 C--N 1.392 2.442 0 CA-C-O 116.431 -1.747 . . . . 0.0 108.314 -143.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -50.54 -24.49 3.24 Favored 'General case' 0 C--N 1.42 3.647 0 CA-C-N 123.543 2.883 . . . . 0.0 107.759 -176.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -166.38 8.51 0.03 OUTLIER 'General case' 0 C--N 1.414 3.394 0 O-C-N 121.586 -0.696 . . . . 0.0 110.486 165.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.91 37.91 0.1 Allowed 'General case' 1 C--N 1.461 5.429 1 N-CA-C 127.057 5.947 . . . . 0.0 127.057 -156.074 . . . . . . . . 4 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.584 ' HA ' ' H ' ' A' ' 20' ' ' ASP 0.294 85.9 m -146.51 140.39 26.15 Favored 'General case' 1 C--N 1.442 4.588 2 CA-C-N 133.635 7.47 . . . . 0.0 101.7 -12.909 . . . . . . . . 5 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.693 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 13.6 p -101.56 -122.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.419 3.617 0 CA-C-N 125.713 3.87 . . . . 0.0 110.281 -165.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.415 ' H ' HG12 ' A' ' 25' ' ' VAL . 82.1 m -114.23 164.09 14.36 Favored 'General case' 1 C--N 1.446 4.777 1 CA-C-N 127.651 4.751 . . . . 0.0 117.549 -158.258 . . . . . . . . 4 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.75 ' O ' ' HB1' ' A' ' 15' ' ' ALA 0.258 98.8 mt-10 -133.22 172.09 7.99 Favored Pre-proline 1 C--N 1.447 4.833 0 N-CA-C 103.655 -2.72 . . . . 0.0 103.655 166.975 . . . . . . . . 4 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.5 OUTLIER -79.56 164.18 23.74 Favored 'Trans proline' 0 N--CA 1.415 -3.138 0 CA-C-N 127.076 3.563 . . . . 0.0 107.88 173.291 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt . . . . . 0 C--N 1.377 1.782 0 O-C-N 120.709 -1.244 . . . . 0.0 109.137 -175.023 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 57.9 p . . . . . 0 N--CA 1.392 -3.337 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.447 ' HB3' ' SG ' ' A' ' 24' ' ' CYS 0.276 21.9 p -81.28 67.75 7.33 Favored 'General case' 0 N--CA 1.392 -3.348 0 N-CA-C 106.179 -1.786 . . . . 0.0 106.179 173.398 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.7 tp10 -119.02 -31.9 4.61 Favored 'General case' 1 C--N 1.442 4.609 0 N-CA-C 105.597 -2.001 . . . . 0.0 105.597 166.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -79.73 -25.74 41.02 Favored 'General case' 0 CA--C 1.466 -2.272 0 O-C-N 119.203 -2.185 . . . . 0.0 105.262 176.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 8' ' ' GLU . 71.9 m -64.59 -43.95 72.51 Favored Pre-proline 0 N--CA 1.381 -3.885 0 CA-C-O 116.224 -1.846 . . . . 0.0 110.691 -175.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.405 ' HA ' ' HB2' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -29.33 -2.49 0.0 OUTLIER 'Trans proline' 1 C--N 1.449 5.839 1 C-N-CA 125.635 4.223 . . . . 0.0 120.506 167.328 . . . . . . . . 5 4 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 6' ' ' CYS . 88.8 tt0 -119.53 -19.66 8.06 Favored 'General case' 0 N--CA 1.397 -3.09 0 O-C-N 118.499 -2.626 . . . . 0.0 109.236 177.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -74.98 -5.03 41.72 Favored 'General case' 0 C--N 1.379 1.857 0 O-C-N 120.03 -1.669 . . . . 0.0 113.351 -169.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.57 ' HB2' ' O ' ' A' ' 25' ' ' VAL . 53.8 t -118.68 3.38 11.7 Favored 'General case' 0 CA--C 1.464 -2.338 0 O-C-N 118.094 -2.879 . . . . 0.0 106.388 175.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' A' ' 15' ' ' ALA . . . -72.98 -9.84 59.16 Favored 'General case' 0 C--N 1.394 2.541 0 N-CA-C 105.424 -2.065 . . . . 0.0 105.424 167.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.2 m -43.67 -37.96 2.86 Favored 'General case' 0 N--CA 1.391 -3.388 0 C-N-CA 122.94 0.496 . . . . 0.0 111.382 169.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -164.88 -15.87 0.03 OUTLIER 'General case' 0 C--N 1.416 3.466 0 O-C-N 119.418 -2.051 . . . . 0.0 114.031 -177.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . 0.265 22.7 m120 -126.98 -26.51 3.14 Favored 'General case' 0 CA--C 1.461 -2.455 0 O-C-N 118.768 -2.457 . . . . 0.0 110.901 -174.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.738 ' HB1' ' O ' ' A' ' 27' ' ' GLU . . . -165.51 -150.2 0.12 Allowed 'General case' 0 N--CA 1.392 -3.372 0 C-N-CA 116.425 -2.11 . . . . 0.0 113.254 -154.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 59.6 ttt180 -120.68 -130.95 0.29 Allowed 'General case' 0 N--CA 1.394 -3.248 0 N-CA-C 100.375 -3.935 . . . . 0.0 100.375 172.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.405 ' HB2' ' HA ' ' A' ' 7' ' ' PRO . . . -161.57 153.16 18.94 Favored 'General case' 0 C--N 1.415 3.452 1 CA-C-N 128.262 5.028 . . . . 0.0 119.016 174.243 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.54 154.53 0.5 Allowed 'General case' 0 C--N 1.412 3.315 0 N-CA-C 104.084 -2.562 . . . . 0.0 104.084 170.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 36.6 t -169.21 55.59 0.04 OUTLIER 'General case' 0 C--N 1.417 3.531 3 N-CA-C 96.655 -5.313 . . . . 0.0 96.655 -11.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.648 ' HB3' ' O ' ' A' ' 23' ' ' LYS . 56.9 t0 -69.41 -159.39 0.03 OUTLIER 'General case' 1 C--N 1.435 4.3 0 C-N-CA 124.725 1.21 . . . . 0.0 110.62 -158.135 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.1 p-10 -66.02 -25.4 67.05 Favored 'General case' 0 C--N 1.419 3.622 0 CA-C-N 123.183 2.719 . . . . 0.0 110.533 -168.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -156.01 -6.56 0.12 Allowed 'General case' 0 N--CA 1.413 -2.287 0 O-C-N 120.09 -1.631 . . . . 0.0 110.222 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.648 ' O ' ' HB3' ' A' ' 20' ' ' ASP . 0.4 OUTLIER -144.04 159.16 43.08 Favored 'General case' 0 N--CA 1.399 -3.006 0 N-CA-C 104.418 -2.438 . . . . 0.0 104.418 174.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.573 ' HA ' ' H ' ' A' ' 20' ' ' ASP 0.387 35.3 m -110.53 138.66 46.63 Favored 'General case' 0 N--CA 1.395 -3.207 0 CA-C-N 121.743 2.065 . . . . 0.0 111.005 -158.907 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.619 HG23 ' SG ' ' A' ' 26' ' ' CYS . 12.8 p -115.28 -88.05 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.393 2.5 0 C-N-CA 115.673 -2.411 . . . . 0.0 110.486 -167.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.619 ' SG ' HG23 ' A' ' 25' ' ' VAL . 73.5 m -133.17 157.15 46.09 Favored 'General case' 0 C--N 1.424 3.826 2 CA-C-N 128.625 5.193 . . . . 0.0 116.484 -162.378 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.738 ' O ' ' HB1' ' A' ' 15' ' ' ALA . 96.8 mt-10 -141.06 168.81 13.02 Favored Pre-proline 1 C--N 1.444 4.713 0 N-CA-C 105.009 -2.219 . . . . 0.0 105.009 171.827 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.5 OUTLIER -79.2 166.58 22.55 Favored 'Trans proline' 0 N--CA 1.415 -3.094 0 CA-C-N 127.073 3.562 . . . . 0.0 108.644 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt . . . . . 0 C--N 1.382 2.01 0 O-C-N 120.603 -1.311 . . . . 0.0 108.393 -174.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.486 ' OG1' ' HG2' ' A' ' 4' ' ' GLU . 64.1 p . . . . . 0 N--CA 1.389 -3.518 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.3 p -78.69 35.8 0.25 Allowed 'General case' 0 N--CA 1.415 -2.218 0 O-C-N 119.66 -1.9 . . . . 0.0 109.491 -178.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.486 ' HG2' ' OG1' ' A' ' 2' ' ' THR . 21.4 pt-20 -99.56 2.51 44.78 Favored 'General case' 0 C--N 1.415 3.423 0 O-C-N 119.346 -2.097 . . . . 0.0 108.619 177.233 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -105.57 3.93 29.82 Favored 'General case' 0 C--N 1.381 1.971 0 N-CA-C 104.191 -2.522 . . . . 0.0 104.191 172.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.517 ' N ' ' HD3' ' A' ' 7' ' ' PRO 0.252 70.5 m -106.15 -4.76 0.11 Allowed Pre-proline 0 N--CA 1.382 -3.859 0 O-C-N 119.867 -1.771 . . . . 0.0 113.736 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.535 ' HA ' ' HB2' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -86.82 3.76 6.55 Favored 'Trans proline' 1 C--N 1.446 5.699 0 CA-C-N 125.314 2.934 . . . . 0.0 108.217 -155.98 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . 0.252 74.4 tt0 -110.28 -15.69 13.91 Favored 'General case' 0 N--CA 1.395 -3.177 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 178.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -71.36 -7.46 47.34 Favored 'General case' 0 N--CA 1.42 -1.95 0 O-C-N 120.156 -1.59 . . . . 0.0 111.355 -164.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.1 t -113.71 2.28 15.16 Favored 'General case' 0 N--CA 1.411 -2.393 0 O-C-N 118.848 -2.407 . . . . 0.0 107.527 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.91 -18.75 63.41 Favored 'General case' 0 C--N 1.401 2.818 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 170.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.268 89.6 m -40.05 -35.98 0.43 Allowed 'General case' 0 N--CA 1.393 -3.317 0 C-N-CA 123.335 0.654 . . . . 0.0 111.637 171.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -131.87 -50.25 0.96 Allowed 'General case' 0 C--N 1.41 3.235 0 O-C-N 119.291 -2.13 . . . . 0.0 109.937 176.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . 0.293 54.2 m-20 -124.03 -21.98 4.94 Favored 'General case' 0 C--N 1.392 2.414 0 O-C-N 118.769 -2.457 . . . . 0.0 112.892 -169.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.591 ' HB1' ' O ' ' A' ' 27' ' ' GLU 0.282 . . -140.78 -175.75 4.41 Favored 'General case' 0 N--CA 1.405 -2.695 0 N-CA-C 117.178 2.288 . . . . 0.0 117.178 -140.358 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -101.36 -153.23 0.45 Allowed 'General case' 0 C--N 1.39 2.343 1 N-CA-C 99.65 -4.204 . . . . 0.0 99.65 163.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.61 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -164.25 152.5 12.76 Favored 'General case' 0 C--N 1.415 3.435 2 CA-C-N 128.777 5.262 . . . . 0.0 117.778 178.718 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.646 ' HD2' ' SG ' ' A' ' 19' ' ' CYS 0.423 2.2 mmmp? -167.58 162.06 14.04 Favored 'General case' 1 C--N 1.444 4.703 0 CA-C-O 114.51 -2.662 . . . . 0.0 105.429 -174.178 . . . . . . . . 4 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.646 ' SG ' ' HD2' ' A' ' 18' ' ' LYS . 73.1 m -160.92 82.79 0.65 Allowed 'General case' 0 C--N 1.427 3.955 4 N-CA-C 92.012 -7.032 . . . . 0.0 92.012 -29.589 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.578 ' H ' ' HA ' ' A' ' 24' ' ' CYS . 59.7 t0 -84.97 -150.79 0.13 Allowed 'General case' 0 C--N 1.384 2.098 0 O-C-N 120.089 -1.632 . . . . 0.0 109.553 -139.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.1 p-10 -60.81 -15.61 31.83 Favored 'General case' 0 C--N 1.411 3.245 0 CA-C-N 122.348 2.34 . . . . 0.0 107.201 174.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -164.02 -8.81 0.03 OUTLIER 'General case' 0 N--CA 1.401 -2.916 0 C-N-CA 118.313 -1.355 . . . . 0.0 111.553 162.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.14 46.23 0.02 OUTLIER 'General case' 1 C--N 1.46 5.382 1 N-CA-C 124.521 5.008 . . . . 0.0 124.521 -149.32 . . . . . . . . 4 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.578 ' HA ' ' H ' ' A' ' 20' ' ' ASP . 63.7 m -143.01 166.88 23.41 Favored 'General case' 1 C--N 1.433 4.215 2 CA-C-N 132.95 7.159 . . . . 0.0 102.25 -9.826 . . . . . . . . 4 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.61 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 15.0 p -122.97 -127.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.42 3.664 1 CA-C-N 126.639 4.29 . . . . 0.0 109.703 -176.461 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.403 ' H ' HG12 ' A' ' 25' ' ' VAL . 76.9 m -111.7 166.47 11.15 Favored 'General case' 1 C--N 1.439 4.497 1 CA-C-N 126.998 4.453 . . . . 0.0 117.667 -154.765 . . . . . . . . 4 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.591 ' O ' ' HB1' ' A' ' 15' ' ' ALA . 95.9 mt-10 -136.53 174.96 3.89 Favored Pre-proline 1 C--N 1.447 4.81 0 N-CA-C 104.68 -2.341 . . . . 0.0 104.68 166.33 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -81.07 169.25 16.35 Favored 'Trans proline' 0 C--N 1.403 3.422 0 CA-C-N 126.776 3.456 . . . . 0.0 108.048 172.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt . . . . . 0 C--N 1.375 1.69 0 O-C-N 120.693 -1.255 . . . . 0.0 108.865 -175.499 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 CA--C 1.493 -1.236 0 CA-C-O 121.57 0.7 . . . . 0.0 109.867 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.43 ' HA ' ' SG ' ' A' ' 6' ' ' CYS . 28.1 p -77.3 24.64 0.18 Allowed 'General case' 0 N--CA 1.398 -3.047 0 O-C-N 118.413 -2.679 . . . . 0.0 109.5 -178.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -93.16 -0.81 56.83 Favored 'General case' 0 C--N 1.426 3.913 0 O-C-N 119.737 -1.852 . . . . 0.0 108.116 171.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -111.06 5.34 20.14 Favored 'General case' 0 CA--C 1.457 -2.61 0 N-CA-C 105.639 -1.986 . . . . 0.0 105.639 175.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.556 ' N ' ' HD3' ' A' ' 7' ' ' PRO 0.295 73.6 m -96.95 -17.63 0.21 Allowed Pre-proline 0 N--CA 1.386 -3.643 0 CA-C-O 117.005 -1.474 . . . . 0.0 114.012 173.822 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.556 ' HD3' ' N ' ' A' ' 6' ' ' CYS . 0.3 OUTLIER -81.52 -6.71 12.7 Favored 'Trans proline' 2 N--CA 1.381 -5.134 0 CA-C-N 125.442 2.979 . . . . 0.0 108.076 -158.045 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -97.32 -3.36 40.62 Favored 'General case' 0 N--CA 1.4 -2.97 0 O-C-N 119.272 -2.143 . . . . 0.0 107.862 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -83.32 -22.31 32.95 Favored 'General case' 0 N--CA 1.41 -2.46 0 O-C-N 120.108 -1.62 . . . . 0.0 109.891 -164.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 16' ' ' ARG . 49.5 t -94.1 8.43 41.59 Favored 'General case' 0 C--N 1.38 1.91 0 O-C-N 118.909 -2.369 . . . . 0.0 107.513 178.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.69 -16.54 62.8 Favored 'General case' 0 C--N 1.388 2.281 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 172.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.4 m -61.51 -40.13 93.51 Favored 'General case' 0 N--CA 1.389 -3.486 0 O-C-N 121.556 -0.715 . . . . 0.0 110.51 178.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -111.95 -57.62 2.24 Favored 'General case' 0 C--N 1.394 2.502 0 O-C-N 119.904 -1.747 . . . . 0.0 108.666 -176.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -104.29 -66.84 0.93 Allowed 'General case' 0 N--CA 1.408 -2.53 0 O-C-N 119.437 -2.039 . . . . 0.0 108.373 -174.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 27' ' ' GLU . . . -166.23 -61.08 0.03 OUTLIER 'General case' 0 N--CA 1.408 -2.555 0 CA-C-N 122.881 2.582 . . . . 0.0 113.528 -167.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.493 ' O ' ' HB3' ' A' ' 10' ' ' CYS . 36.0 ttt180 -153.41 -160.63 1.14 Allowed 'General case' 0 C--N 1.386 2.156 0 CA-C-N 123.062 2.665 . . . . 0.0 106.163 -178.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.512 ' HB2' ' HA ' ' A' ' 7' ' ' PRO . . . -162.94 173.53 13.53 Favored 'General case' 0 C--N 1.423 3.775 1 CA-C-N 127.813 4.824 . . . . 0.0 117.895 -176.832 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.566 ' HB3' ' HZ2' ' A' ' 18' ' ' LYS 0.364 3.9 mmmp? -178.59 144.76 0.29 Allowed 'General case' 0 C--N 1.426 3.904 0 N-CA-C 102.065 -3.309 . . . . 0.0 102.065 -168.645 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.0 t 168.22 49.27 0.0 OUTLIER 'General case' 0 C--N 1.408 3.147 3 CA-C-N 130.618 6.099 . . . . 0.0 94.544 -7.147 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.822 ' HB3' ' O ' ' A' ' 23' ' ' LYS . 46.5 t0 -81.18 -155.55 0.12 Allowed 'General case' 0 C--N 1.408 3.144 0 CA-C-O 117.088 -1.434 . . . . 0.0 107.965 -151.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.442 ' OD1' ' NZ ' ' A' ' 23' ' ' LYS . 24.4 p-10 -54.37 -27.61 37.51 Favored 'General case' 0 C--N 1.426 3.923 0 CA-C-N 123.281 2.764 . . . . 0.0 109.351 -172.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -160.95 -15.74 0.05 OUTLIER 'General case' 0 N--CA 1.418 -2.068 0 O-C-N 120.972 -1.08 . . . . 0.0 108.093 163.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.822 ' O ' ' HB3' ' A' ' 20' ' ' ASP . 1.0 OUTLIER -125.16 132.12 53.12 Favored 'General case' 0 C--N 1.386 2.155 0 O-C-N 119.503 -1.998 . . . . 0.0 106.232 -170.219 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.41 ' HA ' ' H ' ' A' ' 20' ' ' ASP 0.384 30.6 m -107.33 150.99 26.08 Favored 'General case' 0 N--CA 1.426 -1.672 0 O-C-N 119.541 -1.974 . . . . 0.0 114.784 -150.565 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.534 HG23 ' H ' ' A' ' 26' ' ' CYS . 14.7 p -144.05 -155.63 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.424 3.832 0 CA-C-N 121.371 1.896 . . . . 0.0 109.947 179.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.534 ' H ' HG23 ' A' ' 25' ' ' VAL . 39.1 m -69.62 158.04 36.06 Favored 'General case' 0 C--N 1.396 2.605 0 N-CA-C 120.973 3.694 . . . . 0.0 120.973 -136.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.535 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 97.0 mt-10 -131.67 168.3 18.12 Favored Pre-proline 1 C--N 1.436 4.336 0 N-CA-C 102.953 -2.98 . . . . 0.0 102.953 161.842 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -85.06 161.82 11.64 Favored 'Trans proline' 1 C--N 1.424 4.529 0 CA-C-N 124.731 2.725 . . . . 0.0 109.262 177.71 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt . . . . . 0 C--N 1.391 2.413 0 O-C-N 120.829 -1.169 . . . . 0.0 109.21 -173.067 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.5 p . . . . . 0 CA--C 1.498 -1.037 0 CA-C-O 121.489 0.661 . . . . 0.0 111.728 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.7 p -81.0 75.51 7.98 Favored 'General case' 0 N--CA 1.385 -3.694 0 N-CA-C 103.989 -2.597 . . . . 0.0 103.989 168.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -102.44 -35.3 8.83 Favored 'General case' 0 C--N 1.409 3.188 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 168.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -78.21 -60.46 2.36 Favored 'General case' 0 CA--C 1.462 -2.412 0 O-C-N 119.216 -2.177 . . . . 0.0 105.978 -178.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 8' ' ' GLU . 86.3 m -32.95 -42.38 0.31 Allowed Pre-proline 0 C--N 1.405 2.981 0 CA-C-O 114.555 -2.64 . . . . 0.0 114.601 -178.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.528 ' CA ' ' HB2' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -26.8 -16.49 0.0 OUTLIER 'Trans proline' 1 C--N 1.449 5.851 0 C-N-CA 124.197 3.265 . . . . 0.0 117.322 158.207 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 6' ' ' CYS 0.35 78.6 tt0 -115.82 -35.29 4.52 Favored 'General case' 0 N--CA 1.382 -3.837 0 O-C-N 119.99 -1.694 . . . . 0.0 108.918 177.501 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 6' ' ' CYS . 59.9 t60 -68.0 -7.25 27.41 Favored 'General case' 0 C--N 1.392 2.444 0 O-C-N 120.106 -1.622 . . . . 0.0 112.748 -165.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 52.0 t -110.37 -2.1 16.82 Favored 'General case' 0 C--N 1.385 2.128 0 O-C-N 118.467 -2.646 . . . . 0.0 108.091 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.444 ' HA ' ' O ' ' A' ' 15' ' ' ALA . . . -72.01 -14.41 61.88 Favored 'General case' 0 C--N 1.388 2.246 0 N-CA-C 106.078 -1.823 . . . . 0.0 106.078 170.294 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.269 87.1 m -49.95 -33.94 19.21 Favored 'General case' 0 N--CA 1.393 -3.32 0 C-N-CA 122.727 0.411 . . . . 0.0 111.547 173.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . 0.333 32.8 mm-40 -126.99 -55.28 1.38 Allowed 'General case' 0 C--N 1.4 2.771 0 O-C-N 119.946 -1.721 . . . . 0.0 109.572 -177.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . 0.321 36.7 t30 -124.53 -35.52 2.74 Favored 'General case' 0 N--CA 1.416 -2.172 0 O-C-N 120.038 -1.664 . . . . 0.0 110.604 -160.049 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.807 ' HB1' ' O ' ' A' ' 27' ' ' GLU . . . -141.99 -154.43 0.52 Allowed 'General case' 0 N--CA 1.384 -3.736 0 C-N-CA 116.994 -1.882 . . . . 0.0 114.066 -147.088 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -118.11 -144.23 0.37 Allowed 'General case' 0 N--CA 1.393 -3.323 1 N-CA-C 97.832 -4.877 . . . . 0.0 97.832 168.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.744 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -163.21 158.73 22.0 Favored 'General case' 0 C--N 1.414 3.413 1 CA-C-N 129.387 5.54 . . . . 0.0 121.657 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -121.77 -144.43 0.34 Allowed 'General case' 1 C--N 1.435 4.304 0 C-N-CA 125.126 1.37 . . . . 0.0 110.833 -171.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.608 ' HA ' ' HB3' ' A' ' 24' ' ' CYS 0.335 45.3 m -129.31 135.76 49.16 Favored 'General case' 2 C--N 1.443 4.666 0 N-CA-C 104.193 -2.521 . . . . 0.0 104.193 -168.34 . . . . . . . . 4 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.581 ' N ' ' HA ' ' A' ' 24' ' ' CYS . 68.3 t0 -104.47 -146.73 0.38 Allowed 'General case' 0 C--N 1.406 3.058 0 CA-C-N 123.587 2.903 . . . . 0.0 104.71 -168.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -70.41 -41.59 72.77 Favored 'General case' 0 C--N 1.401 2.805 0 CA-C-N 125.131 3.605 . . . . 0.0 106.17 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . 0.264 50.6 m-20 -143.35 -28.73 0.54 Allowed 'General case' 0 C--N 1.387 2.226 0 O-C-N 120.353 -1.467 . . . . 0.0 107.122 176.057 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.6 84.55 2.04 Favored 'General case' 0 C--N 1.382 1.985 0 CA-C-O 124.416 2.055 . . . . 0.0 105.98 -169.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.608 ' HB3' ' HA ' ' A' ' 19' ' ' CYS 0.288 7.2 p -41.39 157.65 0.02 OUTLIER 'General case' 0 N--CA 1.433 -1.295 0 N-CA-C 119.714 3.228 . . . . 0.0 119.714 -170.021 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.744 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 14.9 p -154.05 -127.32 0.01 OUTLIER 'Isoleucine or valine' 1 C--N 1.476 6.088 0 CA-C-O 114.398 -2.715 . . . . 0.0 109.541 -165.464 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.461 ' SG ' HG23 ' A' ' 25' ' ' VAL 0.263 64.1 m -107.16 156.75 18.48 Favored 'General case' 1 C--N 1.49 6.697 1 CA-C-N 127.743 4.792 . . . . 0.0 120.438 -151.872 . . . . . . . . 5 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.807 ' O ' ' HB1' ' A' ' 15' ' ' ALA 0.284 96.4 mt-10 -133.39 179.46 1.37 Allowed Pre-proline 1 C--N 1.48 6.272 0 N-CA-C 104.869 -2.271 . . . . 0.0 104.869 169.331 . . . . . . . . 4 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER -84.76 163.36 12.15 Favored 'Trans proline' 1 C--N 1.421 4.378 0 CA-C-N 127.265 3.63 . . . . 0.0 109.04 170.83 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt . . . . . 0 C--N 1.389 2.291 0 O-C-N 120.655 -1.278 . . . . 0.0 109.064 -177.197 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.421 ' C ' ' H ' ' A' ' 4' ' ' GLU . 73.5 p . . . . . 0 CA--C 1.472 -2.035 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.0 p -76.26 26.9 0.12 Allowed 'General case' 0 N--CA 1.398 -3.072 0 O-C-N 120.024 -1.673 . . . . 0.0 108.656 177.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.421 ' H ' ' C ' ' A' ' 2' ' ' THR . 17.0 pt-20 -83.15 8.54 12.84 Favored 'General case' 0 C--N 1.411 3.268 0 O-C-N 120.179 -1.575 . . . . 0.0 109.415 160.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.789 ' N ' ' HB2' ' A' ' 6' ' ' CYS . 13.0 t70 -107.09 -12.2 15.46 Favored 'General case' 0 C--N 1.402 2.886 0 N-CA-C 119.672 3.212 . . . . 0.0 119.672 -163.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.789 ' HB2' ' N ' ' A' ' 5' ' ' ASP . 83.4 m 104.88 -42.63 0.0 OUTLIER Pre-proline 1 C--N 1.482 6.345 3 CA-C-N 133.309 7.322 . . . . 0.0 110.85 -3.091 . . . . . . . . 4 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.44 ' HD3' ' C ' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -97.94 -5.13 1.02 Allowed 'Trans proline' 2 C--N 1.447 5.751 0 CA-C-N 126.458 3.342 . . . . 0.0 108.08 -168.121 . . . . . . . . 4 4 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -107.37 -12.78 15.25 Favored 'General case' 0 N--CA 1.382 -3.86 0 N-CA-C 104.601 -2.37 . . . . 0.0 104.601 -178.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -76.14 -1.3 25.48 Favored 'General case' 0 N--CA 1.406 -2.627 0 O-C-N 120.628 -1.295 . . . . 0.0 111.847 -168.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.476 ' HB2' HG22 ' A' ' 25' ' ' VAL . 42.2 t -111.01 -5.88 14.75 Favored 'General case' 0 C--N 1.382 2.009 0 O-C-N 118.632 -2.543 . . . . 0.0 107.032 177.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.57 -20.15 63.67 Favored 'General case' 0 C--N 1.402 2.868 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 172.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.296 88.5 m -42.19 -36.51 1.22 Allowed 'General case' 0 N--CA 1.399 -2.99 0 C-N-CA 123.298 0.639 . . . . 0.0 111.926 171.267 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . 0.294 0.8 OUTLIER -122.92 -62.08 1.38 Allowed 'General case' 0 C--N 1.397 2.639 0 O-C-N 120.064 -1.648 . . . . 0.0 107.903 -179.692 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.5 p-10 -140.65 0.9 1.68 Allowed 'General case' 0 C--N 1.389 2.326 0 O-C-N 119.7 -1.875 . . . . 0.0 113.985 -163.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.68 ' HB1' ' O ' ' A' ' 27' ' ' GLU . . . -150.13 -146.66 0.2 Allowed 'General case' 0 N--CA 1.415 -2.223 0 CA-C-N 122.515 2.416 . . . . 0.0 114.645 -166.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.489 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 20.8 tpt180 -127.94 -156.32 0.75 Allowed 'General case' 0 C--N 1.386 2.183 1 N-CA-C 95.834 -5.617 . . . . 0.0 95.834 175.471 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.477 ' HB1' ' HA ' ' A' ' 25' ' ' VAL . . . -158.87 -179.1 7.75 Favored 'General case' 0 C--N 1.406 3.033 1 CA-C-N 129.611 5.641 . . . . 0.0 119.312 173.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -144.34 -105.7 0.11 Allowed 'General case' 1 C--N 1.429 4.049 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -174.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . 0.362 6.1 t -158.17 115.93 2.98 Favored 'General case' 0 N--CA 1.39 -3.453 0 O-C-N 119.204 -2.185 . . . . 0.0 105.449 -149.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.523 ' H ' ' HA ' ' A' ' 24' ' ' CYS . 63.1 t0 -98.99 -148.68 0.34 Allowed 'General case' 0 C--N 1.391 2.373 0 CA-C-O 115.894 -2.003 . . . . 0.0 106.588 -159.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -54.0 -33.77 58.04 Favored 'General case' 1 C--N 1.432 4.174 0 CA-C-N 124.509 3.322 . . . . 0.0 105.883 176.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -158.53 7.96 0.13 Allowed 'General case' 0 C--N 1.391 2.399 0 O-C-N 121.15 -0.969 . . . . 0.0 108.442 163.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.474 ' H ' ' HB3' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -162.07 64.01 0.23 Allowed 'General case' 1 C--N 1.437 4.41 0 N-CA-C 120.775 3.62 . . . . 0.0 120.775 -154.053 . . . . . . . . 4 4 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.523 ' HA ' ' H ' ' A' ' 20' ' ' ASP 0.448 71.9 m -154.1 131.66 11.38 Favored 'General case' 1 C--N 1.443 4.66 2 CA-C-N 131.057 6.299 . . . . 0.0 103.585 -11.834 . . . . . . . . 5 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.581 HG23 ' SG ' ' A' ' 26' ' ' CYS . 10.6 p -175.25 158.3 0.32 Allowed 'Isoleucine or valine' 1 C--N 1.434 4.267 0 CA-C-N 125.853 3.933 . . . . 0.0 107.307 -174.755 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.581 ' SG ' HG23 ' A' ' 25' ' ' VAL 0.361 65.0 m -132.6 167.1 20.64 Favored 'General case' 1 C--N 1.525 8.236 2 CA-C-N 132.792 7.087 . . . . 0.0 107.192 -10.085 . . . . . . . . 5 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.68 ' O ' ' HB1' ' A' ' 15' ' ' ALA 0.285 91.7 mt-10 -136.02 167.19 23.02 Favored Pre-proline 1 C--N 1.446 4.78 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 164.659 . . . . . . . . 4 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER -85.01 175.19 6.78 Favored 'Trans proline' 0 N--CA 1.409 -3.453 0 CA-C-N 125.473 2.99 . . . . 0.0 107.351 168.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? . . . . . 0 C--N 1.388 2.267 0 O-C-N 119.794 -1.816 . . . . 0.0 107.9 177.17 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.354 0 N-CA-C 106.922 -1.511 . . . . 0.0 106.922 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 82.3 p 46.55 46.14 14.26 Favored 'General case' 0 C--N 1.411 3.26 0 C-N-CA 123.181 0.592 . . . . 0.0 111.131 173.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 27.4 p -75.76 9.59 2.24 Favored 'General case' 0 N--CA 1.414 -2.27 0 O-C-N 119.559 -1.963 . . . . 0.0 107.603 171.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -68.59 -10.39 55.6 Favored 'General case' 0 C--N 1.418 3.579 0 O-C-N 120.696 -1.253 . . . . 0.0 109.81 164.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -95.13 1.47 54.87 Favored 'General case' 0 C--N 1.379 1.861 0 O-C-N 117.905 -2.997 . . . . 0.0 106.611 176.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.551 ' N ' ' HD3' ' A' ' 7' ' ' PRO 0.318 78.5 m -103.13 -13.74 0.16 Allowed Pre-proline 0 N--CA 1.405 -2.699 0 O-C-N 119.214 -2.179 . . . . 0.0 115.182 -177.556 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.56 ' HA ' ' HB2' ' A' ' 17' ' ' ALA . 0.4 OUTLIER -81.32 -3.96 12.27 Favored 'Trans proline' 2 C--N 1.428 4.758 0 CA-C-N 125.387 2.96 . . . . 0.0 108.358 -155.524 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -98.5 -10.67 23.2 Favored 'General case' 0 N--CA 1.392 -3.331 0 O-C-N 120.251 -1.53 . . . . 0.0 108.224 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.469 ' ND1' ' O ' ' A' ' 9' ' ' HIS . 13.2 t-80 -86.18 -14.71 43.2 Favored 'General case' 0 N--CA 1.411 -2.379 0 O-C-N 119.743 -1.848 . . . . 0.0 111.258 -163.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.429 ' O ' ' SG ' ' A' ' 10' ' ' CYS . 54.0 t -95.93 2.11 53.32 Favored 'General case' 0 C--N 1.376 1.738 0 O-C-N 118.167 -2.833 . . . . 0.0 106.399 174.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.431 ' HA ' ' O ' ' A' ' 15' ' ' ALA . . . -75.08 -15.31 60.62 Favored 'General case' 0 CA--C 1.463 -2.399 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 173.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.9 m -53.83 -31.11 48.09 Favored 'General case' 0 N--CA 1.389 -3.519 0 O-C-N 121.995 -0.44 . . . . 0.0 110.51 176.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 -117.01 -65.87 1.14 Allowed 'General case' 0 C--N 1.401 2.838 0 O-C-N 119.61 -1.931 . . . . 0.0 109.101 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . 0.312 42.7 m-20 -125.06 -18.83 5.35 Favored 'General case' 0 CA--C 1.47 -2.106 0 O-C-N 118.922 -2.361 . . . . 0.0 111.314 -169.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.667 ' HB1' ' O ' ' A' ' 27' ' ' GLU . . . -139.57 -148.61 0.26 Allowed 'General case' 0 N--CA 1.391 -3.393 0 C-N-CA 117.371 -1.732 . . . . 0.0 113.811 -141.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -136.25 -156.48 0.71 Allowed 'General case' 0 N--CA 1.393 -3.284 0 N-CA-C 100.408 -3.923 . . . . 0.0 100.408 169.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.56 ' HB2' ' HA ' ' A' ' 7' ' ' PRO . . . -160.32 166.26 29.78 Favored 'General case' 0 C--N 1.405 2.998 1 CA-C-N 128.815 5.279 . . . . 0.0 118.598 -178.617 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.427 ' NZ ' ' HB3' ' A' ' 18' ' ' LYS 0.317 2.6 mmmp? -177.19 146.0 0.48 Allowed 'General case' 0 C--N 1.427 3.942 0 N-CA-C 101.835 -3.394 . . . . 0.0 101.835 -171.524 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.423 ' HA ' ' SG ' ' A' ' 24' ' ' CYS . 42.2 t 178.29 57.2 0.01 OUTLIER 'General case' 0 C--N 1.423 3.771 3 CA-C-N 129.425 5.557 . . . . 0.0 96.716 -7.88 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.739 ' HB3' ' O ' ' A' ' 23' ' ' LYS . 56.3 t0 -73.34 -148.17 0.02 OUTLIER 'General case' 0 C--N 1.417 3.529 0 CA-C-O 117.493 -1.241 . . . . 0.0 109.31 -157.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -61.37 -30.12 70.33 Favored 'General case' 0 C--N 1.428 3.982 0 CA-C-N 124.011 3.096 . . . . 0.0 107.531 -172.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -173.56 25.73 0.01 OUTLIER 'General case' 0 C--N 1.401 2.809 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 161.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.739 ' O ' ' HB3' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -153.77 124.6 7.25 Favored 'General case' 0 C--N 1.394 2.509 0 N-CA-C 104.076 -2.565 . . . . 0.0 104.076 -179.443 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.474 ' HA ' ' H ' ' A' ' 20' ' ' ASP . 16.7 m -112.72 173.18 6.5 Favored 'General case' 0 C--N 1.39 2.339 0 O-C-N 118.861 -2.4 . . . . 0.0 116.66 -143.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.517 HG23 ' H ' ' A' ' 26' ' ' CYS . 15.0 p -150.28 -153.42 0.03 OUTLIER 'Isoleucine or valine' 1 C--N 1.431 4.122 0 O-C-N 120.235 -1.541 . . . . 0.0 109.085 -175.904 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.517 ' H ' HG23 ' A' ' 25' ' ' VAL . 58.8 m -85.09 160.54 19.96 Favored 'General case' 0 C--N 1.388 2.281 0 CA-C-N 125.842 3.928 . . . . 0.0 120.052 -140.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.667 ' O ' ' HB1' ' A' ' 15' ' ' ALA . 96.2 mt-10 -133.44 165.64 35.2 Favored Pre-proline 1 C--N 1.437 4.382 0 N-CA-C 103.954 -2.61 . . . . 0.0 103.954 163.738 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -81.0 167.74 17.85 Favored 'Trans proline' 0 C--N 1.4 3.254 0 CA-C-N 126.552 3.376 . . . . 0.0 109.002 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt . . . . . 0 C--N 1.38 1.923 0 O-C-N 120.705 -1.247 . . . . 0.0 108.808 -173.766 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.282 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.4 t -166.82 139.23 3.56 Favored 'General case' 0 N--CA 1.406 -2.651 0 O-C-N 120.302 -1.499 . . . . 0.0 107.569 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.413 ' HA ' ' SG ' ' A' ' 6' ' ' CYS 0.257 26.0 p -88.99 38.14 0.87 Allowed 'General case' 0 N--CA 1.408 -2.552 0 O-C-N 119.522 -1.986 . . . . 0.0 108.64 -176.772 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -103.91 -1.01 28.33 Favored 'General case' 0 C--N 1.423 3.783 0 O-C-N 120.156 -1.59 . . . . 0.0 107.833 167.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -100.77 -17.14 17.07 Favored 'General case' 0 CA--C 1.469 -2.161 0 N-CA-C 104.856 -2.275 . . . . 0.0 104.856 175.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.554 ' N ' ' HD3' ' A' ' 7' ' ' PRO 0.332 60.7 m -91.44 -17.39 0.22 Allowed Pre-proline 1 N--CA 1.374 -4.266 0 N-CA-C 115.942 1.831 . . . . 0.0 115.942 -173.058 . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.73 ' HA ' ' HB2' ' A' ' 17' ' ' ALA . 0.4 OUTLIER -79.96 -4.3 13.24 Favored 'Trans proline' 2 C--N 1.438 5.28 0 CA-C-N 124.559 2.664 . . . . 0.0 107.882 -162.011 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -91.25 -12.07 36.3 Favored 'General case' 0 N--CA 1.392 -3.357 0 O-C-N 120.257 -1.527 . . . . 0.0 107.836 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.05 -49.1 10.6 Favored 'General case' 0 N--CA 1.416 -2.134 0 O-C-N 120.464 -1.397 . . . . 0.0 110.488 -166.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.427 ' HB3' ' O ' ' A' ' 25' ' ' VAL . 47.1 t -85.11 2.19 44.54 Favored 'General case' 0 CA--C 1.477 -1.84 0 O-C-N 118.942 -2.348 . . . . 0.0 106.757 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.484 ' HA ' ' O ' ' A' ' 15' ' ' ALA . . . -74.46 -18.75 60.59 Favored 'General case' 0 N--CA 1.393 -3.308 0 O-C-N 120.426 -1.421 . . . . 0.0 107.845 175.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.2 m -59.45 -44.8 92.88 Favored 'General case' 0 N--CA 1.397 -3.12 0 O-C-N 121.51 -0.744 . . . . 0.0 111.465 -174.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -109.98 -38.7 5.26 Favored 'General case' 0 CA--C 1.462 -2.411 0 O-C-N 119.285 -2.134 . . . . 0.0 110.329 -170.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -121.09 -32.85 3.84 Favored 'General case' 0 N--CA 1.407 -2.594 0 O-C-N 119.066 -2.271 . . . . 0.0 112.046 -168.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.526 ' HB1' ' O ' ' A' ' 27' ' ' GLU . . . -156.11 -135.25 0.04 OUTLIER 'General case' 0 N--CA 1.412 -2.363 0 O-C-N 118.898 -2.376 . . . . 0.0 113.85 -156.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -110.55 -135.45 0.36 Allowed 'General case' 0 C--N 1.406 3.028 1 N-CA-C 99.085 -4.413 . . . . 0.0 99.085 166.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.73 ' HB2' ' HA ' ' A' ' 7' ' ' PRO . . . -169.77 154.59 5.43 Favored 'General case' 1 C--N 1.442 4.588 1 CA-C-N 127.378 4.626 . . . . 0.0 116.374 167.065 . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.497 ' HE3' ' SG ' ' A' ' 19' ' ' CYS 0.356 29.3 mmmt -165.55 -175.94 3.74 Favored 'General case' 1 C--N 1.463 5.537 0 CA-C-O 115.543 -2.17 . . . . 0.0 108.491 -172.869 . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.497 ' SG ' ' HE3' ' A' ' 18' ' ' LYS . 83.6 m -128.52 87.96 2.67 Favored 'General case' 0 C--N 1.417 3.511 1 N-CA-C 96.838 -5.245 . . . . 0.0 96.838 -78.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.567 ' H ' ' HA ' ' A' ' 24' ' ' CYS . 42.7 t0 -91.76 173.76 7.7 Favored 'General case' 0 C--N 1.399 2.722 0 O-C-N 120.317 -1.49 . . . . 0.0 109.429 -157.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -50.42 -28.28 7.92 Favored 'General case' 1 C--N 1.437 4.376 0 CA-C-N 121.752 2.069 . . . . 0.0 110.795 -168.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -145.79 -1.23 0.79 Allowed 'General case' 0 N--CA 1.401 -2.876 0 O-C-N 120.637 -1.289 . . . . 0.0 108.078 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.263 0.0 OUTLIER -127.11 -152.99 0.54 Allowed 'General case' 0 CA--C 1.461 -2.45 0 O-C-N 119.405 -2.06 . . . . 0.0 106.722 -177.749 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.567 ' HA ' ' H ' ' A' ' 20' ' ' ASP 0.348 55.9 m -133.92 115.08 13.99 Favored 'General case' 1 N--CA 1.378 -4.043 0 N-CA-C 104.935 -2.246 . . . . 0.0 104.935 159.425 . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.621 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 10.6 p -99.25 -91.73 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.389 2.287 0 CA-C-N 122.694 2.497 . . . . 0.0 107.951 -172.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.577 ' H ' HG12 ' A' ' 25' ' ' VAL . 82.3 m -132.18 154.35 49.64 Favored 'General case' 0 C--N 1.417 3.535 1 CA-C-N 127.515 4.689 . . . . 0.0 113.873 -166.472 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.526 ' O ' ' HB1' ' A' ' 15' ' ' ALA . 23.2 pt-20 -142.51 168.24 13.98 Favored Pre-proline 0 C--N 1.417 3.54 0 N-CA-C 101.834 -3.395 . . . . 0.0 101.834 162.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.5 OUTLIER -80.11 166.22 20.93 Favored 'Trans proline' 0 C--N 1.411 3.825 0 CA-C-N 127.447 3.695 . . . . 0.0 110.127 -171.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt . . . . . 0 C--N 1.386 2.179 0 O-C-N 121.128 -0.982 . . . . 0.0 109.241 -174.062 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.482 -1.654 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.406 ' O ' HG23 ' A' ' 2' ' ' THR . 71.5 m 52.5 37.54 23.18 Favored 'General case' 0 C--N 1.403 2.917 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 25.7 p -78.72 22.58 0.36 Allowed 'General case' 0 N--CA 1.41 -2.434 0 O-C-N 118.74 -2.475 . . . . 0.0 109.38 -173.083 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -84.58 16.63 3.08 Favored 'General case' 0 C--N 1.399 2.736 0 O-C-N 120.272 -1.518 . . . . 0.0 109.64 163.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.63 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 41.4 t0 -98.2 -37.47 9.68 Favored 'General case' 0 C--N 1.389 2.303 0 O-C-N 118.282 -2.761 . . . . 0.0 117.634 -168.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.631 ' HB2' ' HD3' ' A' ' 7' ' ' PRO 0.255 86.9 m 111.54 -81.71 0.0 OUTLIER Pre-proline 1 C--N 1.478 6.174 3 CA-C-N 133.194 7.27 . . . . 0.0 102.376 13.187 . . . . . . . . 5 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.631 ' HD3' ' HB2' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -38.7 -50.29 2.48 Favored 'Trans proline' 1 C--N 1.467 6.812 0 CA-C-N 126.497 3.356 . . . . 0.0 114.653 169.127 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -77.29 -16.68 58.86 Favored 'General case' 1 N--CA 1.378 -4.054 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -169.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -81.45 -11.4 59.24 Favored 'General case' 0 N--CA 1.407 -2.578 0 O-C-N 119.857 -1.777 . . . . 0.0 110.717 -174.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 41.8 t -106.09 -5.84 19.12 Favored 'General case' 0 N--CA 1.415 -2.205 0 O-C-N 118.757 -2.465 . . . . 0.0 105.866 178.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.99 -5.49 46.58 Favored 'General case' 0 C--N 1.406 3.027 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 171.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.8 m -49.56 -32.56 12.83 Favored 'General case' 0 N--CA 1.393 -3.319 0 O-C-N 121.833 -0.542 . . . . 0.0 110.316 170.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -146.09 -49.59 0.22 Allowed 'General case' 0 C--N 1.401 2.847 0 O-C-N 119.691 -1.881 . . . . 0.0 111.771 -175.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . 0.269 54.1 m-20 -113.41 -34.03 5.73 Favored 'General case' 0 C--N 1.394 2.532 0 O-C-N 118.108 -2.87 . . . . 0.0 109.93 -173.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.691 ' HB1' ' O ' ' A' ' 27' ' ' GLU . . . -143.73 -140.67 0.12 Allowed 'General case' 0 N--CA 1.411 -2.412 0 C-N-CA 117.439 -1.704 . . . . 0.0 114.42 -148.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.465 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 9.6 ttt85 -143.0 -150.16 0.3 Allowed 'General case' 0 C--N 1.397 2.65 1 N-CA-C 99.27 -4.345 . . . . 0.0 99.27 179.415 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.582 ' N ' ' HA ' ' A' ' 7' ' ' PRO 0.251 . . -160.68 -179.95 8.04 Favored 'General case' 1 C--N 1.433 4.218 2 CA-C-N 130.621 6.101 . . . . 0.0 121.691 177.628 . . . . . . . . 5 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.56 ' HD3' ' HG2' ' A' ' 27' ' ' GLU . 31.4 mmmt -137.71 -126.64 0.13 Allowed 'General case' 1 C--N 1.44 4.511 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 -166.651 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . 0.32 35.4 m -148.38 109.2 4.24 Favored 'General case' 1 C--N 1.438 4.441 0 O-C-N 119.395 -2.066 . . . . 0.0 108.422 -169.111 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.648 ' HB3' ' O ' ' A' ' 23' ' ' LYS . 12.9 t0 -84.09 172.65 11.78 Favored 'General case' 0 C--N 1.403 2.933 0 O-C-N 118.496 -2.628 . . . . 0.0 104.045 170.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.526 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 47.5 t-20 -26.79 -46.87 0.03 OUTLIER 'General case' 0 C--N 1.427 3.968 0 CA-C-N 121.002 1.728 . . . . 0.0 111.178 -178.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -132.19 -39.45 1.05 Allowed 'General case' 0 N--CA 1.416 -2.129 0 O-C-N 119.732 -1.855 . . . . 0.0 109.935 172.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.648 ' O ' ' HB3' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -107.77 160.69 15.53 Favored 'General case' 0 C--N 1.381 1.937 0 O-C-N 119.494 -2.004 . . . . 0.0 106.697 -167.7 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.453 19.3 m -115.65 154.5 29.38 Favored 'General case' 0 N--CA 1.423 -1.776 0 CA-C-N 123.592 2.906 . . . . 0.0 116.003 -151.287 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . 0.262 7.3 p 175.99 148.15 0.05 OUTLIER 'Isoleucine or valine' 1 C--N 1.443 4.671 0 CA-C-O 113.363 -3.208 . . . . 0.0 106.672 -174.818 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.411 ' O ' ' HG2' ' A' ' 18' ' ' LYS 0.303 52.7 m -136.17 159.96 40.14 Favored 'General case' 1 C--N 1.502 7.223 2 CA-C-N 131.586 6.539 . . . . 0.0 105.143 -18.103 . . . . . . . . 5 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.691 ' O ' ' HB1' ' A' ' 15' ' ' ALA 0.277 89.6 mt-10 -130.33 163.6 46.85 Favored Pre-proline 1 C--N 1.428 4.014 0 CA-C-N 122.04 2.2 . . . . 0.0 106.468 174.552 . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.7 OUTLIER -77.3 160.01 32.77 Favored 'Trans proline' 1 N--CA 1.394 -4.335 0 CA-C-N 124.033 2.476 . . . . 0.0 107.104 173.321 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt . . . . . 0 N--CA 1.425 -1.695 0 O-C-N 121.1 -1.0 . . . . 0.0 108.851 -175.217 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.487 -1.448 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.6 p -126.95 -169.71 2.08 Favored 'General case' 0 N--CA 1.399 -2.991 0 O-C-N 119.931 -1.73 . . . . 0.0 108.216 -178.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.262 26.9 p -84.85 35.0 0.55 Allowed 'General case' 0 N--CA 1.406 -2.646 0 O-C-N 119.704 -1.873 . . . . 0.0 109.258 178.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.0 tp10 -89.64 -1.36 58.0 Favored 'General case' 0 C--N 1.408 3.139 0 C-N-CA 125.607 1.563 . . . . 0.0 107.298 156.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.673 ' N ' ' HB2' ' A' ' 6' ' ' CYS . 39.7 t0 -92.34 -35.23 13.84 Favored 'General case' 0 C--N 1.39 2.346 0 O-C-N 117.13 -3.481 . . . . 0.0 118.401 -162.032 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.673 ' HB2' ' N ' ' A' ' 5' ' ' ASP 0.259 96.0 m 115.04 -58.75 0.0 OUTLIER Pre-proline 1 C--N 1.483 6.387 3 CA-C-N 133.211 7.278 . . . . 0.0 107.863 6.116 . . . . . . . . 5 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.57 ' HA ' ' HB2' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -88.72 -13.26 3.33 Favored 'Trans proline' 1 C--N 1.424 4.517 0 CA-C-N 125.446 2.981 . . . . 0.0 108.816 -159.312 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -98.3 -9.56 25.27 Favored 'General case' 0 N--CA 1.4 -2.936 0 O-C-N 119.689 -1.882 . . . . 0.0 106.634 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.49 ' ND1' ' O ' ' A' ' 9' ' ' HIS . 52.7 t-80 -79.65 -1.38 37.93 Favored 'General case' 0 N--CA 1.406 -2.673 0 O-C-N 120.497 -1.377 . . . . 0.0 110.699 -161.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.1 t -113.3 -3.45 13.83 Favored 'General case' 0 N--CA 1.401 -2.911 0 O-C-N 118.872 -2.392 . . . . 0.0 106.972 175.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.96 -22.41 64.12 Favored 'General case' 0 C--N 1.409 3.173 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 171.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.314 91.3 m -37.88 -36.73 0.21 Allowed 'General case' 0 N--CA 1.4 -2.963 0 C-N-CA 123.698 0.799 . . . . 0.0 111.903 169.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . 0.315 15.6 mm100 -129.07 -59.81 1.1 Allowed 'General case' 0 C--N 1.399 2.756 0 O-C-N 120.646 -1.284 . . . . 0.0 108.398 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . 0.278 18.3 m120 -116.36 -29.49 6.19 Favored 'General case' 0 C--N 1.387 2.201 0 O-C-N 119.369 -2.082 . . . . 0.0 112.53 -165.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.75 ' HB1' ' O ' ' A' ' 27' ' ' GLU . . . -142.55 -162.19 1.38 Allowed 'General case' 0 N--CA 1.405 -2.688 0 N-CA-C 117.031 2.234 . . . . 0.0 117.031 -137.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -114.61 -156.9 0.61 Allowed 'General case' 0 N--CA 1.409 -2.522 1 N-CA-C 97.805 -4.887 . . . . 0.0 97.805 167.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.693 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -162.82 158.04 22.18 Favored 'General case' 0 C--N 1.417 3.535 2 CA-C-N 129.968 5.804 . . . . 0.0 119.177 178.368 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.418 ' HG2' ' CG ' ' A' ' 27' ' ' GLU 0.39 7.8 mmpt? -166.26 159.93 15.45 Favored 'General case' 1 C--N 1.437 4.408 0 CA-C-O 115.82 -2.038 . . . . 0.0 106.063 -174.27 . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 38.7 t -173.58 61.15 0.02 OUTLIER 'General case' 0 C--N 1.415 3.418 3 N-CA-C 93.225 -6.583 . . . . 0.0 93.225 -13.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.584 ' H ' ' HA ' ' A' ' 24' ' ' CYS . 60.1 t0 -77.78 -164.45 0.51 Allowed 'General case' 0 C--N 1.392 2.442 0 CA-C-O 116.431 -1.747 . . . . 0.0 108.314 -143.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -50.54 -24.49 3.24 Favored 'General case' 0 C--N 1.42 3.647 0 CA-C-N 123.543 2.883 . . . . 0.0 107.759 -176.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -166.38 8.51 0.03 OUTLIER 'General case' 0 C--N 1.414 3.394 0 O-C-N 121.586 -0.696 . . . . 0.0 110.486 165.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.91 37.91 0.1 Allowed 'General case' 1 C--N 1.461 5.429 1 N-CA-C 127.057 5.947 . . . . 0.0 127.057 -156.074 . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.584 ' HA ' ' H ' ' A' ' 20' ' ' ASP 0.294 85.9 m -146.51 140.39 26.15 Favored 'General case' 1 C--N 1.442 4.588 2 CA-C-N 133.635 7.47 . . . . 0.0 101.7 -12.909 . . . . . . . . 5 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.693 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 13.6 p -101.56 -122.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.419 3.617 0 CA-C-N 125.713 3.87 . . . . 0.0 110.281 -165.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.415 ' H ' HG12 ' A' ' 25' ' ' VAL . 82.1 m -114.23 164.09 14.36 Favored 'General case' 1 C--N 1.446 4.777 1 CA-C-N 127.651 4.751 . . . . 0.0 117.549 -158.258 . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.75 ' O ' ' HB1' ' A' ' 15' ' ' ALA 0.258 98.8 mt-10 -133.22 172.09 7.99 Favored Pre-proline 1 C--N 1.447 4.833 0 N-CA-C 103.655 -2.72 . . . . 0.0 103.655 166.975 . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.5 OUTLIER -79.56 164.18 23.74 Favored 'Trans proline' 0 N--CA 1.415 -3.138 0 CA-C-N 127.076 3.563 . . . . 0.0 107.88 173.291 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt . . . . . 0 C--N 1.377 1.782 0 O-C-N 120.709 -1.244 . . . . 0.0 109.137 -175.023 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.485 -1.529 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 57.9 p -125.38 177.43 6.17 Favored 'General case' 0 N--CA 1.392 -3.337 0 O-C-N 120.025 -1.672 . . . . 0.0 107.87 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.447 ' HB3' ' SG ' ' A' ' 24' ' ' CYS 0.276 21.9 p -81.28 67.75 7.33 Favored 'General case' 0 N--CA 1.392 -3.348 0 N-CA-C 106.179 -1.786 . . . . 0.0 106.179 173.398 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.7 tp10 -119.02 -31.9 4.61 Favored 'General case' 1 C--N 1.442 4.609 0 N-CA-C 105.597 -2.001 . . . . 0.0 105.597 166.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -79.73 -25.74 41.02 Favored 'General case' 0 CA--C 1.466 -2.272 0 O-C-N 119.203 -2.185 . . . . 0.0 105.262 176.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 8' ' ' GLU . 71.9 m -64.59 -43.95 72.51 Favored Pre-proline 0 N--CA 1.381 -3.885 0 CA-C-O 116.224 -1.846 . . . . 0.0 110.691 -175.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.405 ' HA ' ' HB2' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -29.33 -2.49 0.0 OUTLIER 'Trans proline' 1 C--N 1.449 5.839 1 C-N-CA 125.635 4.223 . . . . 0.0 120.506 167.328 . . . . . . . . 5 4 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 6' ' ' CYS . 88.8 tt0 -119.53 -19.66 8.06 Favored 'General case' 0 N--CA 1.397 -3.09 0 O-C-N 118.499 -2.626 . . . . 0.0 109.236 177.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -74.98 -5.03 41.72 Favored 'General case' 0 C--N 1.379 1.857 0 O-C-N 120.03 -1.669 . . . . 0.0 113.351 -169.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.57 ' HB2' ' O ' ' A' ' 25' ' ' VAL . 53.8 t -118.68 3.38 11.7 Favored 'General case' 0 CA--C 1.464 -2.338 0 O-C-N 118.094 -2.879 . . . . 0.0 106.388 175.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' A' ' 15' ' ' ALA . . . -72.98 -9.84 59.16 Favored 'General case' 0 C--N 1.394 2.541 0 N-CA-C 105.424 -2.065 . . . . 0.0 105.424 167.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.2 m -43.67 -37.96 2.86 Favored 'General case' 0 N--CA 1.391 -3.388 0 C-N-CA 122.94 0.496 . . . . 0.0 111.382 169.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -164.88 -15.87 0.03 OUTLIER 'General case' 0 C--N 1.416 3.466 0 O-C-N 119.418 -2.051 . . . . 0.0 114.031 -177.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . 0.265 22.7 m120 -126.98 -26.51 3.14 Favored 'General case' 0 CA--C 1.461 -2.455 0 O-C-N 118.768 -2.457 . . . . 0.0 110.901 -174.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.738 ' HB1' ' O ' ' A' ' 27' ' ' GLU . . . -165.51 -150.2 0.12 Allowed 'General case' 0 N--CA 1.392 -3.372 0 C-N-CA 116.425 -2.11 . . . . 0.0 113.254 -154.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 59.6 ttt180 -120.68 -130.95 0.29 Allowed 'General case' 0 N--CA 1.394 -3.248 0 N-CA-C 100.375 -3.935 . . . . 0.0 100.375 172.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.405 ' HB2' ' HA ' ' A' ' 7' ' ' PRO . . . -161.57 153.16 18.94 Favored 'General case' 0 C--N 1.415 3.452 1 CA-C-N 128.262 5.028 . . . . 0.0 119.016 174.243 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.54 154.53 0.5 Allowed 'General case' 0 C--N 1.412 3.315 0 N-CA-C 104.084 -2.562 . . . . 0.0 104.084 170.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 36.6 t -169.21 55.59 0.04 OUTLIER 'General case' 0 C--N 1.417 3.531 3 N-CA-C 96.655 -5.313 . . . . 0.0 96.655 -11.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.648 ' HB3' ' O ' ' A' ' 23' ' ' LYS . 56.9 t0 -69.41 -159.39 0.03 OUTLIER 'General case' 1 C--N 1.435 4.3 0 C-N-CA 124.725 1.21 . . . . 0.0 110.62 -158.135 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.1 p-10 -66.02 -25.4 67.05 Favored 'General case' 0 C--N 1.419 3.622 0 CA-C-N 123.183 2.719 . . . . 0.0 110.533 -168.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -156.01 -6.56 0.12 Allowed 'General case' 0 N--CA 1.413 -2.287 0 O-C-N 120.09 -1.631 . . . . 0.0 110.222 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.648 ' O ' ' HB3' ' A' ' 20' ' ' ASP . 0.4 OUTLIER -144.04 159.16 43.08 Favored 'General case' 0 N--CA 1.399 -3.006 0 N-CA-C 104.418 -2.438 . . . . 0.0 104.418 174.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.573 ' HA ' ' H ' ' A' ' 20' ' ' ASP 0.387 35.3 m -110.53 138.66 46.63 Favored 'General case' 0 N--CA 1.395 -3.207 0 CA-C-N 121.743 2.065 . . . . 0.0 111.005 -158.907 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.619 HG23 ' SG ' ' A' ' 26' ' ' CYS . 12.8 p -115.28 -88.05 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.393 2.5 0 C-N-CA 115.673 -2.411 . . . . 0.0 110.486 -167.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.619 ' SG ' HG23 ' A' ' 25' ' ' VAL . 73.5 m -133.17 157.15 46.09 Favored 'General case' 0 C--N 1.424 3.826 2 CA-C-N 128.625 5.193 . . . . 0.0 116.484 -162.378 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.738 ' O ' ' HB1' ' A' ' 15' ' ' ALA . 96.8 mt-10 -141.06 168.81 13.02 Favored Pre-proline 1 C--N 1.444 4.713 0 N-CA-C 105.009 -2.219 . . . . 0.0 105.009 171.827 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.5 OUTLIER -79.2 166.58 22.55 Favored 'Trans proline' 0 N--CA 1.415 -3.094 0 CA-C-N 127.073 3.562 . . . . 0.0 108.644 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt . . . . . 0 C--N 1.382 2.01 0 O-C-N 120.603 -1.311 . . . . 0.0 108.393 -174.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.482 -1.64 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.486 ' OG1' ' HG2' ' A' ' 4' ' ' GLU . 64.1 p -86.98 172.72 9.8 Favored 'General case' 0 N--CA 1.389 -3.518 0 O-C-N 120.045 -1.659 . . . . 0.0 107.468 -178.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.3 p -78.69 35.8 0.25 Allowed 'General case' 0 N--CA 1.415 -2.218 0 O-C-N 119.66 -1.9 . . . . 0.0 109.491 -178.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.486 ' HG2' ' OG1' ' A' ' 2' ' ' THR . 21.4 pt-20 -99.56 2.51 44.78 Favored 'General case' 0 C--N 1.415 3.423 0 O-C-N 119.346 -2.097 . . . . 0.0 108.619 177.233 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -105.57 3.93 29.82 Favored 'General case' 0 C--N 1.381 1.971 0 N-CA-C 104.191 -2.522 . . . . 0.0 104.191 172.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.517 ' N ' ' HD3' ' A' ' 7' ' ' PRO 0.252 70.5 m -106.15 -4.76 0.11 Allowed Pre-proline 0 N--CA 1.382 -3.859 0 O-C-N 119.867 -1.771 . . . . 0.0 113.736 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.535 ' HA ' ' HB2' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -86.82 3.76 6.55 Favored 'Trans proline' 1 C--N 1.446 5.699 0 CA-C-N 125.314 2.934 . . . . 0.0 108.217 -155.98 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . 0.252 74.4 tt0 -110.28 -15.69 13.91 Favored 'General case' 0 N--CA 1.395 -3.177 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 178.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -71.36 -7.46 47.34 Favored 'General case' 0 N--CA 1.42 -1.95 0 O-C-N 120.156 -1.59 . . . . 0.0 111.355 -164.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.1 t -113.71 2.28 15.16 Favored 'General case' 0 N--CA 1.411 -2.393 0 O-C-N 118.848 -2.407 . . . . 0.0 107.527 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.91 -18.75 63.41 Favored 'General case' 0 C--N 1.401 2.818 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 170.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.268 89.6 m -40.05 -35.98 0.43 Allowed 'General case' 0 N--CA 1.393 -3.317 0 C-N-CA 123.335 0.654 . . . . 0.0 111.637 171.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -131.87 -50.25 0.96 Allowed 'General case' 0 C--N 1.41 3.235 0 O-C-N 119.291 -2.13 . . . . 0.0 109.937 176.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . 0.293 54.2 m-20 -124.03 -21.98 4.94 Favored 'General case' 0 C--N 1.392 2.414 0 O-C-N 118.769 -2.457 . . . . 0.0 112.892 -169.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.591 ' HB1' ' O ' ' A' ' 27' ' ' GLU 0.282 . . -140.78 -175.75 4.41 Favored 'General case' 0 N--CA 1.405 -2.695 0 N-CA-C 117.178 2.288 . . . . 0.0 117.178 -140.358 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -101.36 -153.23 0.45 Allowed 'General case' 0 C--N 1.39 2.343 1 N-CA-C 99.65 -4.204 . . . . 0.0 99.65 163.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.61 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -164.25 152.5 12.76 Favored 'General case' 0 C--N 1.415 3.435 2 CA-C-N 128.777 5.262 . . . . 0.0 117.778 178.718 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.646 ' HD2' ' SG ' ' A' ' 19' ' ' CYS 0.423 2.2 mmmp? -167.58 162.06 14.04 Favored 'General case' 1 C--N 1.444 4.703 0 CA-C-O 114.51 -2.662 . . . . 0.0 105.429 -174.178 . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.646 ' SG ' ' HD2' ' A' ' 18' ' ' LYS . 73.1 m -160.92 82.79 0.65 Allowed 'General case' 0 C--N 1.427 3.955 4 N-CA-C 92.012 -7.032 . . . . 0.0 92.012 -29.589 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.578 ' H ' ' HA ' ' A' ' 24' ' ' CYS . 59.7 t0 -84.97 -150.79 0.13 Allowed 'General case' 0 C--N 1.384 2.098 0 O-C-N 120.089 -1.632 . . . . 0.0 109.553 -139.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.1 p-10 -60.81 -15.61 31.83 Favored 'General case' 0 C--N 1.411 3.245 0 CA-C-N 122.348 2.34 . . . . 0.0 107.201 174.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -164.02 -8.81 0.03 OUTLIER 'General case' 0 N--CA 1.401 -2.916 0 C-N-CA 118.313 -1.355 . . . . 0.0 111.553 162.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.14 46.23 0.02 OUTLIER 'General case' 1 C--N 1.46 5.382 1 N-CA-C 124.521 5.008 . . . . 0.0 124.521 -149.32 . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.578 ' HA ' ' H ' ' A' ' 20' ' ' ASP . 63.7 m -143.01 166.88 23.41 Favored 'General case' 1 C--N 1.433 4.215 2 CA-C-N 132.95 7.159 . . . . 0.0 102.25 -9.826 . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.61 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 15.0 p -122.97 -127.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.42 3.664 1 CA-C-N 126.639 4.29 . . . . 0.0 109.703 -176.461 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.403 ' H ' HG12 ' A' ' 25' ' ' VAL . 76.9 m -111.7 166.47 11.15 Favored 'General case' 1 C--N 1.439 4.497 1 CA-C-N 126.998 4.453 . . . . 0.0 117.667 -154.765 . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.591 ' O ' ' HB1' ' A' ' 15' ' ' ALA . 95.9 mt-10 -136.53 174.96 3.89 Favored Pre-proline 1 C--N 1.447 4.81 0 N-CA-C 104.68 -2.341 . . . . 0.0 104.68 166.33 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -81.07 169.25 16.35 Favored 'Trans proline' 0 C--N 1.403 3.422 0 CA-C-N 126.776 3.456 . . . . 0.0 108.048 172.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt . . . . . 0 C--N 1.375 1.69 0 O-C-N 120.693 -1.255 . . . . 0.0 108.865 -175.499 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.491 -1.323 0 CA-C-O 118.046 -0.978 . . . . 0.0 109.0 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.2 t 31.69 50.21 0.14 Allowed 'General case' 1 C--N 1.43 4.066 0 CA-C-N 119.7 1.136 . . . . 0.0 109.867 -176.209 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.43 ' HA ' ' SG ' ' A' ' 6' ' ' CYS . 28.1 p -77.3 24.64 0.18 Allowed 'General case' 0 N--CA 1.398 -3.047 0 O-C-N 118.413 -2.679 . . . . 0.0 109.5 -178.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -93.16 -0.81 56.83 Favored 'General case' 0 C--N 1.426 3.913 0 O-C-N 119.737 -1.852 . . . . 0.0 108.116 171.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -111.06 5.34 20.14 Favored 'General case' 0 CA--C 1.457 -2.61 0 N-CA-C 105.639 -1.986 . . . . 0.0 105.639 175.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.556 ' N ' ' HD3' ' A' ' 7' ' ' PRO 0.295 73.6 m -96.95 -17.63 0.21 Allowed Pre-proline 0 N--CA 1.386 -3.643 0 CA-C-O 117.005 -1.474 . . . . 0.0 114.012 173.822 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.556 ' HD3' ' N ' ' A' ' 6' ' ' CYS . 0.3 OUTLIER -81.52 -6.71 12.7 Favored 'Trans proline' 2 N--CA 1.381 -5.134 0 CA-C-N 125.442 2.979 . . . . 0.0 108.076 -158.045 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -97.32 -3.36 40.62 Favored 'General case' 0 N--CA 1.4 -2.97 0 O-C-N 119.272 -2.143 . . . . 0.0 107.862 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -83.32 -22.31 32.95 Favored 'General case' 0 N--CA 1.41 -2.46 0 O-C-N 120.108 -1.62 . . . . 0.0 109.891 -164.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 16' ' ' ARG . 49.5 t -94.1 8.43 41.59 Favored 'General case' 0 C--N 1.38 1.91 0 O-C-N 118.909 -2.369 . . . . 0.0 107.513 178.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.69 -16.54 62.8 Favored 'General case' 0 C--N 1.388 2.281 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 172.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.4 m -61.51 -40.13 93.51 Favored 'General case' 0 N--CA 1.389 -3.486 0 O-C-N 121.556 -0.715 . . . . 0.0 110.51 178.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -111.95 -57.62 2.24 Favored 'General case' 0 C--N 1.394 2.502 0 O-C-N 119.904 -1.747 . . . . 0.0 108.666 -176.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -104.29 -66.84 0.93 Allowed 'General case' 0 N--CA 1.408 -2.53 0 O-C-N 119.437 -2.039 . . . . 0.0 108.373 -174.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 27' ' ' GLU . . . -166.23 -61.08 0.03 OUTLIER 'General case' 0 N--CA 1.408 -2.555 0 CA-C-N 122.881 2.582 . . . . 0.0 113.528 -167.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.493 ' O ' ' HB3' ' A' ' 10' ' ' CYS . 36.0 ttt180 -153.41 -160.63 1.14 Allowed 'General case' 0 C--N 1.386 2.156 0 CA-C-N 123.062 2.665 . . . . 0.0 106.163 -178.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.512 ' HB2' ' HA ' ' A' ' 7' ' ' PRO . . . -162.94 173.53 13.53 Favored 'General case' 0 C--N 1.423 3.775 1 CA-C-N 127.813 4.824 . . . . 0.0 117.895 -176.832 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.566 ' HB3' ' HZ2' ' A' ' 18' ' ' LYS 0.364 3.9 mmmp? -178.59 144.76 0.29 Allowed 'General case' 0 C--N 1.426 3.904 0 N-CA-C 102.065 -3.309 . . . . 0.0 102.065 -168.645 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.0 t 168.22 49.27 0.0 OUTLIER 'General case' 0 C--N 1.408 3.147 3 CA-C-N 130.618 6.099 . . . . 0.0 94.544 -7.147 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.822 ' HB3' ' O ' ' A' ' 23' ' ' LYS . 46.5 t0 -81.18 -155.55 0.12 Allowed 'General case' 0 C--N 1.408 3.144 0 CA-C-O 117.088 -1.434 . . . . 0.0 107.965 -151.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.442 ' OD1' ' NZ ' ' A' ' 23' ' ' LYS . 24.4 p-10 -54.37 -27.61 37.51 Favored 'General case' 0 C--N 1.426 3.923 0 CA-C-N 123.281 2.764 . . . . 0.0 109.351 -172.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -160.95 -15.74 0.05 OUTLIER 'General case' 0 N--CA 1.418 -2.068 0 O-C-N 120.972 -1.08 . . . . 0.0 108.093 163.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.822 ' O ' ' HB3' ' A' ' 20' ' ' ASP . 1.0 OUTLIER -125.16 132.12 53.12 Favored 'General case' 0 C--N 1.386 2.155 0 O-C-N 119.503 -1.998 . . . . 0.0 106.232 -170.219 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.41 ' HA ' ' H ' ' A' ' 20' ' ' ASP 0.384 30.6 m -107.33 150.99 26.08 Favored 'General case' 0 N--CA 1.426 -1.672 0 O-C-N 119.541 -1.974 . . . . 0.0 114.784 -150.565 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.534 HG23 ' H ' ' A' ' 26' ' ' CYS . 14.7 p -144.05 -155.63 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.424 3.832 0 CA-C-N 121.371 1.896 . . . . 0.0 109.947 179.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.534 ' H ' HG23 ' A' ' 25' ' ' VAL . 39.1 m -69.62 158.04 36.06 Favored 'General case' 0 C--N 1.396 2.605 0 N-CA-C 120.973 3.694 . . . . 0.0 120.973 -136.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.535 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 97.0 mt-10 -131.67 168.3 18.12 Favored Pre-proline 1 C--N 1.436 4.336 0 N-CA-C 102.953 -2.98 . . . . 0.0 102.953 161.842 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -85.06 161.82 11.64 Favored 'Trans proline' 1 C--N 1.424 4.529 0 CA-C-N 124.731 2.725 . . . . 0.0 109.262 177.71 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt . . . . . 0 C--N 1.391 2.413 0 O-C-N 120.829 -1.169 . . . . 0.0 109.21 -173.067 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.406 ' O ' ' HB3' ' A' ' 4' ' ' GLU . . . . . . . . 0 CA--C 1.482 -1.672 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.5 p 50.82 -169.3 0.03 OUTLIER 'General case' 0 C--N 1.409 3.174 0 CA-C-N 118.876 0.762 . . . . 0.0 111.728 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.7 p -81.0 75.51 7.98 Favored 'General case' 0 N--CA 1.385 -3.694 0 N-CA-C 103.989 -2.597 . . . . 0.0 103.989 168.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.406 ' HB3' ' O ' ' A' ' 1' ' ' ALA . 32.5 tp10 -102.44 -35.3 8.83 Favored 'General case' 0 C--N 1.409 3.188 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 168.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -78.21 -60.46 2.36 Favored 'General case' 0 CA--C 1.462 -2.412 0 O-C-N 119.216 -2.177 . . . . 0.0 105.978 -178.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 8' ' ' GLU . 86.3 m -32.95 -42.38 0.31 Allowed Pre-proline 0 C--N 1.405 2.981 0 CA-C-O 114.555 -2.64 . . . . 0.0 114.601 -178.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.528 ' CA ' ' HB2' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -26.8 -16.49 0.0 OUTLIER 'Trans proline' 1 C--N 1.449 5.851 0 C-N-CA 124.197 3.265 . . . . 0.0 117.322 158.207 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 6' ' ' CYS 0.35 78.6 tt0 -115.82 -35.29 4.52 Favored 'General case' 0 N--CA 1.382 -3.837 0 O-C-N 119.99 -1.694 . . . . 0.0 108.918 177.501 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 6' ' ' CYS . 59.9 t60 -68.0 -7.25 27.41 Favored 'General case' 0 C--N 1.392 2.444 0 O-C-N 120.106 -1.622 . . . . 0.0 112.748 -165.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 52.0 t -110.37 -2.1 16.82 Favored 'General case' 0 C--N 1.385 2.128 0 O-C-N 118.467 -2.646 . . . . 0.0 108.091 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.444 ' HA ' ' O ' ' A' ' 15' ' ' ALA . . . -72.01 -14.41 61.88 Favored 'General case' 0 C--N 1.388 2.246 0 N-CA-C 106.078 -1.823 . . . . 0.0 106.078 170.294 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.269 87.1 m -49.95 -33.94 19.21 Favored 'General case' 0 N--CA 1.393 -3.32 0 C-N-CA 122.727 0.411 . . . . 0.0 111.547 173.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . 0.333 32.8 mm-40 -126.99 -55.28 1.38 Allowed 'General case' 0 C--N 1.4 2.771 0 O-C-N 119.946 -1.721 . . . . 0.0 109.572 -177.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . 0.321 36.7 t30 -124.53 -35.52 2.74 Favored 'General case' 0 N--CA 1.416 -2.172 0 O-C-N 120.038 -1.664 . . . . 0.0 110.604 -160.049 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.807 ' HB1' ' O ' ' A' ' 27' ' ' GLU . . . -141.99 -154.43 0.52 Allowed 'General case' 0 N--CA 1.384 -3.736 0 C-N-CA 116.994 -1.882 . . . . 0.0 114.066 -147.088 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -118.11 -144.23 0.37 Allowed 'General case' 0 N--CA 1.393 -3.323 1 N-CA-C 97.832 -4.877 . . . . 0.0 97.832 168.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.744 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -163.21 158.73 22.0 Favored 'General case' 0 C--N 1.414 3.413 1 CA-C-N 129.387 5.54 . . . . 0.0 121.657 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -121.77 -144.43 0.34 Allowed 'General case' 1 C--N 1.435 4.304 0 C-N-CA 125.126 1.37 . . . . 0.0 110.833 -171.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.608 ' HA ' ' HB3' ' A' ' 24' ' ' CYS 0.335 45.3 m -129.31 135.76 49.16 Favored 'General case' 2 C--N 1.443 4.666 0 N-CA-C 104.193 -2.521 . . . . 0.0 104.193 -168.34 . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.581 ' N ' ' HA ' ' A' ' 24' ' ' CYS . 68.3 t0 -104.47 -146.73 0.38 Allowed 'General case' 0 C--N 1.406 3.058 0 CA-C-N 123.587 2.903 . . . . 0.0 104.71 -168.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -70.41 -41.59 72.77 Favored 'General case' 0 C--N 1.401 2.805 0 CA-C-N 125.131 3.605 . . . . 0.0 106.17 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . 0.264 50.6 m-20 -143.35 -28.73 0.54 Allowed 'General case' 0 C--N 1.387 2.226 0 O-C-N 120.353 -1.467 . . . . 0.0 107.122 176.057 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.6 84.55 2.04 Favored 'General case' 0 C--N 1.382 1.985 0 CA-C-O 124.416 2.055 . . . . 0.0 105.98 -169.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.608 ' HB3' ' HA ' ' A' ' 19' ' ' CYS 0.288 7.2 p -41.39 157.65 0.02 OUTLIER 'General case' 0 N--CA 1.433 -1.295 0 N-CA-C 119.714 3.228 . . . . 0.0 119.714 -170.021 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.744 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 14.9 p -154.05 -127.32 0.01 OUTLIER 'Isoleucine or valine' 1 C--N 1.476 6.088 0 CA-C-O 114.398 -2.715 . . . . 0.0 109.541 -165.464 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.461 ' SG ' HG23 ' A' ' 25' ' ' VAL 0.263 64.1 m -107.16 156.75 18.48 Favored 'General case' 1 C--N 1.49 6.697 1 CA-C-N 127.743 4.792 . . . . 0.0 120.438 -151.872 . . . . . . . . 5 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.807 ' O ' ' HB1' ' A' ' 15' ' ' ALA 0.284 96.4 mt-10 -133.39 179.46 1.37 Allowed Pre-proline 1 C--N 1.48 6.272 0 N-CA-C 104.869 -2.271 . . . . 0.0 104.869 169.331 . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER -84.76 163.36 12.15 Favored 'Trans proline' 1 C--N 1.421 4.378 0 CA-C-N 127.265 3.63 . . . . 0.0 109.04 170.83 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt . . . . . 0 C--N 1.389 2.291 0 O-C-N 120.655 -1.278 . . . . 0.0 109.064 -177.197 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.475 -1.915 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.421 ' C ' ' H ' ' A' ' 4' ' ' GLU . 73.5 p 45.3 45.02 9.62 Favored 'General case' 0 C--N 1.412 3.298 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 -173.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.0 p -76.26 26.9 0.12 Allowed 'General case' 0 N--CA 1.398 -3.072 0 O-C-N 120.024 -1.673 . . . . 0.0 108.656 177.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.421 ' H ' ' C ' ' A' ' 2' ' ' THR . 17.0 pt-20 -83.15 8.54 12.84 Favored 'General case' 0 C--N 1.411 3.268 0 O-C-N 120.179 -1.575 . . . . 0.0 109.415 160.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.789 ' N ' ' HB2' ' A' ' 6' ' ' CYS . 13.0 t70 -107.09 -12.2 15.46 Favored 'General case' 0 C--N 1.402 2.886 0 N-CA-C 119.672 3.212 . . . . 0.0 119.672 -163.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.789 ' HB2' ' N ' ' A' ' 5' ' ' ASP . 83.4 m 104.88 -42.63 0.0 OUTLIER Pre-proline 1 C--N 1.482 6.345 3 CA-C-N 133.309 7.322 . . . . 0.0 110.85 -3.091 . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.44 ' HD3' ' C ' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -97.94 -5.13 1.02 Allowed 'Trans proline' 2 C--N 1.447 5.751 0 CA-C-N 126.458 3.342 . . . . 0.0 108.08 -168.121 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -107.37 -12.78 15.25 Favored 'General case' 0 N--CA 1.382 -3.86 0 N-CA-C 104.601 -2.37 . . . . 0.0 104.601 -178.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -76.14 -1.3 25.48 Favored 'General case' 0 N--CA 1.406 -2.627 0 O-C-N 120.628 -1.295 . . . . 0.0 111.847 -168.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.476 ' HB2' HG22 ' A' ' 25' ' ' VAL . 42.2 t -111.01 -5.88 14.75 Favored 'General case' 0 C--N 1.382 2.009 0 O-C-N 118.632 -2.543 . . . . 0.0 107.032 177.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.57 -20.15 63.67 Favored 'General case' 0 C--N 1.402 2.868 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 172.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.296 88.5 m -42.19 -36.51 1.22 Allowed 'General case' 0 N--CA 1.399 -2.99 0 C-N-CA 123.298 0.639 . . . . 0.0 111.926 171.267 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . 0.294 0.8 OUTLIER -122.92 -62.08 1.38 Allowed 'General case' 0 C--N 1.397 2.639 0 O-C-N 120.064 -1.648 . . . . 0.0 107.903 -179.692 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.5 p-10 -140.65 0.9 1.68 Allowed 'General case' 0 C--N 1.389 2.326 0 O-C-N 119.7 -1.875 . . . . 0.0 113.985 -163.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.68 ' HB1' ' O ' ' A' ' 27' ' ' GLU . . . -150.13 -146.66 0.2 Allowed 'General case' 0 N--CA 1.415 -2.223 0 CA-C-N 122.515 2.416 . . . . 0.0 114.645 -166.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.489 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 20.8 tpt180 -127.94 -156.32 0.75 Allowed 'General case' 0 C--N 1.386 2.183 1 N-CA-C 95.834 -5.617 . . . . 0.0 95.834 175.471 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.477 ' HB1' ' HA ' ' A' ' 25' ' ' VAL . . . -158.87 -179.1 7.75 Favored 'General case' 0 C--N 1.406 3.033 1 CA-C-N 129.611 5.641 . . . . 0.0 119.312 173.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -144.34 -105.7 0.11 Allowed 'General case' 1 C--N 1.429 4.049 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -174.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . 0.362 6.1 t -158.17 115.93 2.98 Favored 'General case' 0 N--CA 1.39 -3.453 0 O-C-N 119.204 -2.185 . . . . 0.0 105.449 -149.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.523 ' H ' ' HA ' ' A' ' 24' ' ' CYS . 63.1 t0 -98.99 -148.68 0.34 Allowed 'General case' 0 C--N 1.391 2.373 0 CA-C-O 115.894 -2.003 . . . . 0.0 106.588 -159.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -54.0 -33.77 58.04 Favored 'General case' 1 C--N 1.432 4.174 0 CA-C-N 124.509 3.322 . . . . 0.0 105.883 176.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -158.53 7.96 0.13 Allowed 'General case' 0 C--N 1.391 2.399 0 O-C-N 121.15 -0.969 . . . . 0.0 108.442 163.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.474 ' H ' ' HB3' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -162.07 64.01 0.23 Allowed 'General case' 1 C--N 1.437 4.41 0 N-CA-C 120.775 3.62 . . . . 0.0 120.775 -154.053 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.523 ' HA ' ' H ' ' A' ' 20' ' ' ASP 0.448 71.9 m -154.1 131.66 11.38 Favored 'General case' 1 C--N 1.443 4.66 2 CA-C-N 131.057 6.299 . . . . 0.0 103.585 -11.834 . . . . . . . . 5 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.581 HG23 ' SG ' ' A' ' 26' ' ' CYS . 10.6 p -175.25 158.3 0.32 Allowed 'Isoleucine or valine' 1 C--N 1.434 4.267 0 CA-C-N 125.853 3.933 . . . . 0.0 107.307 -174.755 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.581 ' SG ' HG23 ' A' ' 25' ' ' VAL 0.361 65.0 m -132.6 167.1 20.64 Favored 'General case' 1 C--N 1.525 8.236 2 CA-C-N 132.792 7.087 . . . . 0.0 107.192 -10.085 . . . . . . . . 5 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.68 ' O ' ' HB1' ' A' ' 15' ' ' ALA 0.285 91.7 mt-10 -136.02 167.19 23.02 Favored Pre-proline 1 C--N 1.446 4.78 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 164.659 . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER -85.01 175.19 6.78 Favored 'Trans proline' 0 N--CA 1.409 -3.453 0 CA-C-N 125.473 2.99 . . . . 0.0 107.351 168.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? . . . . . 0 C--N 1.388 2.267 0 O-C-N 119.794 -1.816 . . . . 0.0 107.9 177.17 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 82.3 p . . . . . 0 N--CA 1.432 -1.333 0 N-CA-C 111.131 0.048 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.554 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 27.4 p -75.76 9.59 2.24 Favored 'General case' 0 N--CA 1.414 -2.27 0 O-C-N 119.559 -1.963 . . . . 0.0 107.603 171.662 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -68.59 -10.39 55.6 Favored 'General case' 0 C--N 1.418 3.579 0 O-C-N 120.696 -1.253 . . . . 0.0 109.81 164.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -95.13 1.47 54.87 Favored 'General case' 0 C--N 1.379 1.861 0 O-C-N 117.905 -2.997 . . . . 0.0 106.611 176.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.428 ' HB3' ' HB2' ' A' ' 24' ' ' CYS 0.318 78.5 m -103.13 -13.74 0.16 Allowed Pre-proline 0 N--CA 1.405 -2.699 0 O-C-N 119.214 -2.179 . . . . 0.0 115.182 -177.556 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.668 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 0.4 OUTLIER -81.32 -3.96 12.27 Favored 'Trans proline' 2 C--N 1.428 4.758 0 CA-C-N 125.387 2.96 . . . . 0.0 108.358 -155.524 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -98.5 -10.67 23.2 Favored 'General case' 0 N--CA 1.392 -3.331 0 O-C-N 120.251 -1.53 . . . . 0.0 108.224 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.469 ' ND1' ' O ' ' A' ' 9' ' ' HIS . 13.2 t-80 -86.18 -14.71 43.2 Favored 'General case' 0 N--CA 1.411 -2.379 0 O-C-N 119.743 -1.848 . . . . 0.0 111.258 -163.259 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.484 ' SG ' ' HB3' ' A' ' 15' ' ' ALA . 54.0 t -95.93 2.11 53.32 Favored 'General case' 0 C--N 1.376 1.738 0 O-C-N 118.167 -2.833 . . . . 0.0 106.399 174.566 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.484 ' HA ' ' O ' ' A' ' 15' ' ' ALA . . . -75.08 -15.31 60.62 Favored 'General case' 0 CA--C 1.463 -2.399 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 173.28 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.9 m -53.83 -31.11 48.09 Favored 'General case' 0 N--CA 1.389 -3.519 0 O-C-N 121.995 -0.44 . . . . 0.0 110.51 176.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 -117.01 -65.87 1.14 Allowed 'General case' 0 C--N 1.401 2.838 0 O-C-N 119.61 -1.931 . . . . 0.0 109.101 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . 0.312 42.7 m-20 -125.06 -18.83 5.35 Favored 'General case' 0 CA--C 1.47 -2.106 0 O-C-N 118.922 -2.361 . . . . 0.0 111.314 -169.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.737 ' HB1' ' O ' ' A' ' 27' ' ' GLU . . . -139.57 -148.61 0.26 Allowed 'General case' 0 N--CA 1.391 -3.393 0 C-N-CA 117.371 -1.732 . . . . 0.0 113.811 -141.634 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.423 ' H ' ' H ' ' A' ' 27' ' ' GLU . 43.3 ttt180 -136.25 -156.48 0.71 Allowed 'General case' 0 N--CA 1.393 -3.284 0 N-CA-C 100.408 -3.923 . . . . 0.0 100.408 169.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.668 ' HB3' ' HA ' ' A' ' 7' ' ' PRO . . . -160.32 166.26 29.78 Favored 'General case' 0 C--N 1.405 2.998 1 CA-C-N 128.815 5.279 . . . . 0.0 118.598 -178.617 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 17' ' ' ALA 0.317 2.6 mmmp? -177.19 146.0 0.48 Allowed 'General case' 0 C--N 1.427 3.942 0 N-CA-C 101.835 -3.394 . . . . 0.0 101.835 -171.524 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.2 t 178.29 57.2 0.01 OUTLIER 'General case' 0 C--N 1.423 3.771 3 CA-C-N 129.425 5.557 . . . . 0.0 96.716 -7.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.853 ' HB3' ' O ' ' A' ' 23' ' ' LYS . 56.3 t0 -73.34 -148.17 0.02 OUTLIER 'General case' 0 C--N 1.417 3.529 0 CA-C-O 117.493 -1.241 . . . . 0.0 109.31 -157.344 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.519 ' OD1' ' HE3' ' A' ' 23' ' ' LYS . 26.9 p-10 -61.37 -30.12 70.33 Favored 'General case' 0 C--N 1.428 3.982 0 CA-C-N 124.011 3.096 . . . . 0.0 107.531 -172.691 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' A' ' 21' ' ' ASN . 46.5 t0 -173.56 25.73 0.01 OUTLIER 'General case' 0 C--N 1.401 2.809 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 161.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.853 ' O ' ' HB3' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -153.77 124.6 7.25 Favored 'General case' 0 C--N 1.394 2.509 0 N-CA-C 104.076 -2.565 . . . . 0.0 104.076 -179.443 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.554 ' SG ' ' HB2' ' A' ' 3' ' ' CYS . 16.7 m -112.72 173.18 6.5 Favored 'General case' 0 C--N 1.39 2.339 0 O-C-N 118.861 -2.4 . . . . 0.0 116.66 -143.497 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.454 HG22 ' H ' ' A' ' 26' ' ' CYS . 15.0 p -150.28 -153.42 0.03 OUTLIER 'Isoleucine or valine' 1 C--N 1.431 4.122 0 O-C-N 120.235 -1.541 . . . . 0.0 109.085 -175.904 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.454 ' H ' HG22 ' A' ' 25' ' ' VAL . 58.8 m -85.09 160.54 19.96 Favored 'General case' 0 C--N 1.388 2.281 0 CA-C-N 125.842 3.928 . . . . 0.0 120.052 -140.471 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.737 ' O ' ' HB1' ' A' ' 15' ' ' ALA . 96.2 mt-10 -133.44 165.64 35.2 Favored Pre-proline 1 C--N 1.437 4.382 0 N-CA-C 103.954 -2.61 . . . . 0.0 103.954 163.738 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -81.0 167.74 17.85 Favored 'Trans proline' 0 C--N 1.4 3.254 0 CA-C-N 126.552 3.376 . . . . 0.0 109.002 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt . . . . . 0 C--N 1.38 1.923 0 O-C-N 120.705 -1.247 . . . . 0.0 108.808 -173.766 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.4 t . . . . . 0 N--CA 1.406 -2.651 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.445 ' HA ' ' SG ' ' A' ' 6' ' ' CYS 0.257 26.0 p -88.99 38.14 0.87 Allowed 'General case' 0 N--CA 1.408 -2.552 0 O-C-N 119.522 -1.986 . . . . 0.0 108.64 -176.772 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -103.91 -1.01 28.33 Favored 'General case' 0 C--N 1.423 3.783 0 O-C-N 120.156 -1.59 . . . . 0.0 107.833 167.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -100.77 -17.14 17.07 Favored 'General case' 0 CA--C 1.469 -2.161 0 N-CA-C 104.856 -2.275 . . . . 0.0 104.856 175.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.457 ' HB3' ' HB2' ' A' ' 24' ' ' CYS 0.332 60.7 m -91.44 -17.39 0.22 Allowed Pre-proline 1 N--CA 1.374 -4.266 0 N-CA-C 115.942 1.831 . . . . 0.0 115.942 -173.058 . . . . . . . . 4 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.835 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 0.4 OUTLIER -79.96 -4.3 13.24 Favored 'Trans proline' 2 C--N 1.438 5.28 0 CA-C-N 124.559 2.664 . . . . 0.0 107.882 -162.011 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -91.25 -12.07 36.3 Favored 'General case' 0 N--CA 1.392 -3.357 0 O-C-N 120.257 -1.527 . . . . 0.0 107.836 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.05 -49.1 10.6 Favored 'General case' 0 N--CA 1.416 -2.134 0 O-C-N 120.464 -1.397 . . . . 0.0 110.488 -166.222 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.402 ' HB3' ' HB2' ' A' ' 17' ' ' ALA . 47.1 t -85.11 2.19 44.54 Favored 'General case' 0 CA--C 1.477 -1.84 0 O-C-N 118.942 -2.348 . . . . 0.0 106.757 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.47 ' HA ' ' O ' ' A' ' 15' ' ' ALA . . . -74.46 -18.75 60.59 Favored 'General case' 0 N--CA 1.393 -3.308 0 O-C-N 120.426 -1.421 . . . . 0.0 107.845 175.347 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.2 m -59.45 -44.8 92.88 Favored 'General case' 0 N--CA 1.397 -3.12 0 O-C-N 121.51 -0.744 . . . . 0.0 111.465 -174.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -109.98 -38.7 5.26 Favored 'General case' 0 CA--C 1.462 -2.411 0 O-C-N 119.285 -2.134 . . . . 0.0 110.329 -170.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.444 ' OD1' ' HB2' ' A' ' 15' ' ' ALA . 24.3 t-20 -121.09 -32.85 3.84 Favored 'General case' 0 N--CA 1.407 -2.594 0 O-C-N 119.066 -2.271 . . . . 0.0 112.046 -168.607 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.584 ' HB1' ' O ' ' A' ' 27' ' ' GLU . . . -156.11 -135.25 0.04 OUTLIER 'General case' 0 N--CA 1.412 -2.363 0 O-C-N 118.898 -2.376 . . . . 0.0 113.85 -156.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.521 ' HB3' ' HG3' ' A' ' 27' ' ' GLU . 9.9 tpt180 -110.55 -135.45 0.36 Allowed 'General case' 0 C--N 1.406 3.028 1 N-CA-C 99.085 -4.413 . . . . 0.0 99.085 166.158 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.835 ' HB3' ' HA ' ' A' ' 7' ' ' PRO . . . -169.77 154.59 5.43 Favored 'General case' 1 C--N 1.442 4.588 1 CA-C-N 127.378 4.626 . . . . 0.0 116.374 167.065 . . . . . . . . 4 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 25' ' ' VAL 0.356 29.3 mmmt -165.55 -175.94 3.74 Favored 'General case' 1 C--N 1.463 5.537 0 CA-C-O 115.543 -2.17 . . . . 0.0 108.491 -172.869 . . . . . . . . 4 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.452 ' SG ' ' HE3' ' A' ' 18' ' ' LYS . 83.6 m -128.52 87.96 2.67 Favored 'General case' 0 C--N 1.417 3.511 1 N-CA-C 96.838 -5.245 . . . . 0.0 96.838 -78.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.505 ' H ' ' HA ' ' A' ' 24' ' ' CYS . 42.7 t0 -91.76 173.76 7.7 Favored 'General case' 0 C--N 1.399 2.722 0 O-C-N 120.317 -1.49 . . . . 0.0 109.429 -157.064 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -50.42 -28.28 7.92 Favored 'General case' 1 C--N 1.437 4.376 0 CA-C-N 121.752 2.069 . . . . 0.0 110.795 -168.292 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -145.79 -1.23 0.79 Allowed 'General case' 0 N--CA 1.401 -2.876 0 O-C-N 120.637 -1.289 . . . . 0.0 108.078 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.263 0.0 OUTLIER -127.11 -152.99 0.54 Allowed 'General case' 0 CA--C 1.461 -2.45 0 O-C-N 119.405 -2.06 . . . . 0.0 106.722 -177.749 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.505 ' HA ' ' H ' ' A' ' 20' ' ' ASP 0.348 55.9 m -133.92 115.08 13.99 Favored 'General case' 1 N--CA 1.378 -4.043 0 N-CA-C 104.935 -2.246 . . . . 0.0 104.935 159.425 . . . . . . . . 4 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.685 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 10.6 p -99.25 -91.73 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.389 2.287 0 CA-C-N 122.694 2.497 . . . . 0.0 107.951 -172.181 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.617 ' H ' HG13 ' A' ' 25' ' ' VAL . 82.3 m -132.18 154.35 49.64 Favored 'General case' 0 C--N 1.417 3.535 1 CA-C-N 127.515 4.689 . . . . 0.0 113.873 -166.472 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.584 ' O ' ' HB1' ' A' ' 15' ' ' ALA . 23.2 pt-20 -142.51 168.24 13.98 Favored Pre-proline 0 C--N 1.417 3.54 0 N-CA-C 101.834 -3.395 . . . . 0.0 101.834 162.383 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.471 ' HA ' ' HB1' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -80.11 166.22 20.93 Favored 'Trans proline' 0 C--N 1.411 3.825 0 CA-C-N 127.447 3.695 . . . . 0.0 110.127 -171.621 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt . . . . . 0 C--N 1.386 2.179 0 O-C-N 121.128 -0.982 . . . . 0.0 109.241 -174.062 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 2' ' ' THR . 71.5 m . . . . . 0 N--CA 1.422 -1.874 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.541 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 25.7 p -78.72 22.58 0.36 Allowed 'General case' 0 N--CA 1.41 -2.434 0 O-C-N 118.74 -2.475 . . . . 0.0 109.38 -173.083 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -84.58 16.63 3.08 Favored 'General case' 0 C--N 1.399 2.736 0 O-C-N 120.272 -1.518 . . . . 0.0 109.64 163.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.724 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 41.4 t0 -98.2 -37.47 9.68 Favored 'General case' 0 C--N 1.389 2.303 0 O-C-N 118.282 -2.761 . . . . 0.0 117.634 -168.58 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.724 ' SG ' ' HB3' ' A' ' 5' ' ' ASP 0.255 86.9 m 111.54 -81.71 0.0 OUTLIER Pre-proline 1 C--N 1.478 6.174 3 CA-C-N 133.194 7.27 . . . . 0.0 102.376 13.187 . . . . . . . . 5 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.598 ' HA ' ' N ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -38.7 -50.29 2.48 Favored 'Trans proline' 1 C--N 1.467 6.812 0 CA-C-N 126.497 3.356 . . . . 0.0 114.653 169.127 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -77.29 -16.68 58.86 Favored 'General case' 1 N--CA 1.378 -4.054 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -169.735 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -81.45 -11.4 59.24 Favored 'General case' 0 N--CA 1.407 -2.578 0 O-C-N 119.857 -1.777 . . . . 0.0 110.717 -174.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 16' ' ' ARG . 41.8 t -106.09 -5.84 19.12 Favored 'General case' 0 N--CA 1.415 -2.205 0 O-C-N 118.757 -2.465 . . . . 0.0 105.866 178.026 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' A' ' 15' ' ' ALA . . . -75.99 -5.49 46.58 Favored 'General case' 0 C--N 1.406 3.027 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 171.457 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.8 m -49.56 -32.56 12.83 Favored 'General case' 0 N--CA 1.393 -3.319 0 O-C-N 121.833 -0.542 . . . . 0.0 110.316 170.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' A' ' 14' ' ' ASN . 15.3 pt20 -146.09 -49.59 0.22 Allowed 'General case' 0 C--N 1.401 2.847 0 O-C-N 119.691 -1.881 . . . . 0.0 111.771 -175.265 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.457 ' N ' ' HG3' ' A' ' 13' ' ' GLN 0.269 54.1 m-20 -113.41 -34.03 5.73 Favored 'General case' 0 C--N 1.394 2.532 0 O-C-N 118.108 -2.87 . . . . 0.0 109.93 -173.75 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.773 ' HB1' ' O ' ' A' ' 27' ' ' GLU . . . -143.73 -140.67 0.12 Allowed 'General case' 0 N--CA 1.411 -2.412 0 C-N-CA 117.439 -1.704 . . . . 0.0 114.42 -148.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.646 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 9.6 ttt85 -143.0 -150.16 0.3 Allowed 'General case' 0 C--N 1.397 2.65 1 N-CA-C 99.27 -4.345 . . . . 0.0 99.27 179.415 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.598 ' N ' ' HA ' ' A' ' 7' ' ' PRO 0.251 . . -160.68 -179.95 8.04 Favored 'General case' 1 C--N 1.433 4.218 2 CA-C-N 130.621 6.101 . . . . 0.0 121.691 177.628 . . . . . . . . 5 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.655 ' HD3' ' HG2' ' A' ' 27' ' ' GLU . 31.4 mmmt -137.71 -126.64 0.13 Allowed 'General case' 1 C--N 1.44 4.511 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 -166.651 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . 0.32 35.4 m -148.38 109.2 4.24 Favored 'General case' 1 C--N 1.438 4.441 0 O-C-N 119.395 -2.066 . . . . 0.0 108.422 -169.111 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.71 ' HB3' ' O ' ' A' ' 23' ' ' LYS . 12.9 t0 -84.09 172.65 11.78 Favored 'General case' 0 C--N 1.403 2.933 0 O-C-N 118.496 -2.628 . . . . 0.0 104.045 170.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.526 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 47.5 t-20 -26.79 -46.87 0.03 OUTLIER 'General case' 0 C--N 1.427 3.968 0 CA-C-N 121.002 1.728 . . . . 0.0 111.178 -178.606 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -132.19 -39.45 1.05 Allowed 'General case' 0 N--CA 1.416 -2.129 0 O-C-N 119.732 -1.855 . . . . 0.0 109.935 172.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.71 ' O ' ' HB3' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -107.77 160.69 15.53 Favored 'General case' 0 C--N 1.381 1.937 0 O-C-N 119.494 -2.004 . . . . 0.0 106.697 -167.7 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.423 ' HB3' ' HB3' ' A' ' 6' ' ' CYS 0.453 19.3 m -115.65 154.5 29.38 Favored 'General case' 0 N--CA 1.423 -1.776 0 CA-C-N 123.592 2.906 . . . . 0.0 116.003 -151.287 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . 0.262 7.3 p 175.99 148.15 0.05 OUTLIER 'Isoleucine or valine' 1 C--N 1.443 4.671 0 CA-C-O 113.363 -3.208 . . . . 0.0 106.672 -174.818 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.303 52.7 m -136.17 159.96 40.14 Favored 'General case' 1 C--N 1.502 7.223 2 CA-C-N 131.586 6.539 . . . . 0.0 105.143 -18.103 . . . . . . . . 4 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.773 ' O ' ' HB1' ' A' ' 15' ' ' ALA 0.277 89.6 mt-10 -130.33 163.6 46.85 Favored Pre-proline 1 C--N 1.428 4.014 0 CA-C-N 122.04 2.2 . . . . 0.0 106.468 174.552 . . . . . . . . 4 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.7 OUTLIER -77.3 160.01 32.77 Favored 'Trans proline' 1 N--CA 1.394 -4.335 0 CA-C-N 124.033 2.476 . . . . 0.0 107.104 173.321 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt . . . . . 0 N--CA 1.425 -1.695 0 O-C-N 121.1 -1.0 . . . . 0.0 108.851 -175.217 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.6 p . . . . . 0 N--CA 1.399 -2.991 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.262 26.9 p -84.85 35.0 0.55 Allowed 'General case' 0 N--CA 1.406 -2.646 0 O-C-N 119.704 -1.873 . . . . 0.0 109.258 178.295 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.524 ' C ' ' HD3' ' A' ' 7' ' ' PRO . 39.0 tp10 -89.64 -1.36 58.0 Favored 'General case' 0 C--N 1.408 3.139 0 C-N-CA 125.607 1.563 . . . . 0.0 107.298 156.41 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.576 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 39.7 t0 -92.34 -35.23 13.84 Favored 'General case' 0 C--N 1.39 2.346 0 O-C-N 117.13 -3.481 . . . . 0.0 118.401 -162.032 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.576 ' SG ' ' HB3' ' A' ' 5' ' ' ASP 0.259 96.0 m 115.04 -58.75 0.0 OUTLIER Pre-proline 1 C--N 1.483 6.387 3 CA-C-N 133.211 7.278 . . . . 0.0 107.863 6.116 . . . . . . . . 5 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.697 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -88.72 -13.26 3.33 Favored 'Trans proline' 1 C--N 1.424 4.517 0 CA-C-N 125.446 2.981 . . . . 0.0 108.816 -159.312 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -98.3 -9.56 25.27 Favored 'General case' 0 N--CA 1.4 -2.936 0 O-C-N 119.689 -1.882 . . . . 0.0 106.634 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.49 ' ND1' ' O ' ' A' ' 9' ' ' HIS . 52.7 t-80 -79.65 -1.38 37.93 Favored 'General case' 0 N--CA 1.406 -2.673 0 O-C-N 120.497 -1.377 . . . . 0.0 110.699 -161.617 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 15' ' ' ALA . 42.1 t -113.3 -3.45 13.83 Favored 'General case' 0 N--CA 1.401 -2.911 0 O-C-N 118.872 -2.392 . . . . 0.0 106.972 175.371 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.96 -22.41 64.12 Favored 'General case' 0 C--N 1.409 3.173 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 171.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.314 91.3 m -37.88 -36.73 0.21 Allowed 'General case' 0 N--CA 1.4 -2.963 0 C-N-CA 123.698 0.799 . . . . 0.0 111.903 169.302 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . 0.315 15.6 mm100 -129.07 -59.81 1.1 Allowed 'General case' 0 C--N 1.399 2.756 0 O-C-N 120.646 -1.284 . . . . 0.0 108.398 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . 0.278 18.3 m120 -116.36 -29.49 6.19 Favored 'General case' 0 C--N 1.387 2.201 0 O-C-N 119.369 -2.082 . . . . 0.0 112.53 -165.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.824 ' HB1' ' O ' ' A' ' 27' ' ' GLU . . . -142.55 -162.19 1.38 Allowed 'General case' 0 N--CA 1.405 -2.688 0 N-CA-C 117.031 2.234 . . . . 0.0 117.031 -137.596 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.638 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 18.6 tpt180 -114.61 -156.9 0.61 Allowed 'General case' 0 N--CA 1.409 -2.522 1 N-CA-C 97.805 -4.887 . . . . 0.0 97.805 167.087 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.754 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -162.82 158.04 22.18 Favored 'General case' 0 C--N 1.417 3.535 2 CA-C-N 129.968 5.804 . . . . 0.0 119.177 178.368 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.54 ' HB3' ' HB2' ' A' ' 19' ' ' CYS 0.39 7.8 mmpt? -166.26 159.93 15.45 Favored 'General case' 1 C--N 1.437 4.408 0 CA-C-O 115.82 -2.038 . . . . 0.0 106.063 -174.27 . . . . . . . . 4 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.54 ' HB2' ' HB3' ' A' ' 18' ' ' LYS . 38.7 t -173.58 61.15 0.02 OUTLIER 'General case' 0 C--N 1.415 3.418 3 N-CA-C 93.225 -6.583 . . . . 0.0 93.225 -13.6 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.628 ' H ' ' HA ' ' A' ' 24' ' ' CYS . 60.1 t0 -77.78 -164.45 0.51 Allowed 'General case' 0 C--N 1.392 2.442 0 CA-C-O 116.431 -1.747 . . . . 0.0 108.314 -143.373 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -50.54 -24.49 3.24 Favored 'General case' 0 C--N 1.42 3.647 0 CA-C-N 123.543 2.883 . . . . 0.0 107.759 -176.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -166.38 8.51 0.03 OUTLIER 'General case' 0 C--N 1.414 3.394 0 O-C-N 121.586 -0.696 . . . . 0.0 110.486 165.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.461 ' H ' ' HB3' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -162.91 37.91 0.1 Allowed 'General case' 1 C--N 1.461 5.429 1 N-CA-C 127.057 5.947 . . . . 0.0 127.057 -156.074 . . . . . . . . 5 4 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.628 ' HA ' ' H ' ' A' ' 20' ' ' ASP 0.294 85.9 m -146.51 140.39 26.15 Favored 'General case' 1 C--N 1.442 4.588 2 CA-C-N 133.635 7.47 . . . . 0.0 101.7 -12.909 . . . . . . . . 5 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.754 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 13.6 p -101.56 -122.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.419 3.617 0 CA-C-N 125.713 3.87 . . . . 0.0 110.281 -165.354 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.462 ' H ' HG13 ' A' ' 25' ' ' VAL . 82.1 m -114.23 164.09 14.36 Favored 'General case' 1 C--N 1.446 4.777 1 CA-C-N 127.651 4.751 . . . . 0.0 117.549 -158.258 . . . . . . . . 4 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.824 ' O ' ' HB1' ' A' ' 15' ' ' ALA 0.258 98.8 mt-10 -133.22 172.09 7.99 Favored Pre-proline 1 C--N 1.447 4.833 0 N-CA-C 103.655 -2.72 . . . . 0.0 103.655 166.975 . . . . . . . . 4 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.411 ' HD2' ' HB3' ' A' ' 27' ' ' GLU . 0.5 OUTLIER -79.56 164.18 23.74 Favored 'Trans proline' 0 N--CA 1.415 -3.138 0 CA-C-N 127.076 3.563 . . . . 0.0 107.88 173.291 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt . . . . . 0 C--N 1.377 1.782 0 O-C-N 120.709 -1.244 . . . . 0.0 109.137 -175.023 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 57.9 p . . . . . 0 N--CA 1.392 -3.337 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.507 ' HA ' ' SG ' ' A' ' 6' ' ' CYS 0.276 21.9 p -81.28 67.75 7.33 Favored 'General case' 0 N--CA 1.392 -3.348 0 N-CA-C 106.179 -1.786 . . . . 0.0 106.179 173.398 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.513 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 28.7 tp10 -119.02 -31.9 4.61 Favored 'General case' 1 C--N 1.442 4.609 0 N-CA-C 105.597 -2.001 . . . . 0.0 105.597 166.697 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -79.73 -25.74 41.02 Favored 'General case' 0 CA--C 1.466 -2.272 0 O-C-N 119.203 -2.185 . . . . 0.0 105.262 176.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.507 ' SG ' ' HA ' ' A' ' 3' ' ' CYS . 71.9 m -64.59 -43.95 72.51 Favored Pre-proline 0 N--CA 1.381 -3.885 0 CA-C-O 116.224 -1.846 . . . . 0.0 110.691 -175.099 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.617 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -29.33 -2.49 0.0 OUTLIER 'Trans proline' 1 C--N 1.449 5.839 1 C-N-CA 125.635 4.223 . . . . 0.0 120.506 167.328 . . . . . . . . 5 4 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 6' ' ' CYS . 88.8 tt0 -119.53 -19.66 8.06 Favored 'General case' 0 N--CA 1.397 -3.09 0 O-C-N 118.499 -2.626 . . . . 0.0 109.236 177.443 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -74.98 -5.03 41.72 Favored 'General case' 0 C--N 1.379 1.857 0 O-C-N 120.03 -1.669 . . . . 0.0 113.351 -169.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.689 ' HB3' ' O ' ' A' ' 16' ' ' ARG . 53.8 t -118.68 3.38 11.7 Favored 'General case' 0 CA--C 1.464 -2.338 0 O-C-N 118.094 -2.879 . . . . 0.0 106.388 175.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.486 ' HA ' ' O ' ' A' ' 15' ' ' ALA . . . -72.98 -9.84 59.16 Favored 'General case' 0 C--N 1.394 2.541 0 N-CA-C 105.424 -2.065 . . . . 0.0 105.424 167.05 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.2 m -43.67 -37.96 2.86 Favored 'General case' 0 N--CA 1.391 -3.388 0 C-N-CA 122.94 0.496 . . . . 0.0 111.382 169.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -164.88 -15.87 0.03 OUTLIER 'General case' 0 C--N 1.416 3.466 0 O-C-N 119.418 -2.051 . . . . 0.0 114.031 -177.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . 0.265 22.7 m120 -126.98 -26.51 3.14 Favored 'General case' 0 CA--C 1.461 -2.455 0 O-C-N 118.768 -2.457 . . . . 0.0 110.901 -174.532 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.816 ' HB1' ' O ' ' A' ' 27' ' ' GLU . . . -165.51 -150.2 0.12 Allowed 'General case' 0 N--CA 1.392 -3.372 0 C-N-CA 116.425 -2.11 . . . . 0.0 113.254 -154.065 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.689 ' O ' ' HB3' ' A' ' 10' ' ' CYS . 59.6 ttt180 -120.68 -130.95 0.29 Allowed 'General case' 0 N--CA 1.394 -3.248 0 N-CA-C 100.375 -3.935 . . . . 0.0 100.375 172.369 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.617 ' HB3' ' HA ' ' A' ' 7' ' ' PRO . . . -161.57 153.16 18.94 Favored 'General case' 0 C--N 1.415 3.452 1 CA-C-N 128.262 5.028 . . . . 0.0 119.016 174.243 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.604 ' HB2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER 179.54 154.53 0.5 Allowed 'General case' 0 C--N 1.412 3.315 0 N-CA-C 104.084 -2.562 . . . . 0.0 104.084 170.635 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.604 ' HB2' ' HB2' ' A' ' 18' ' ' LYS . 36.6 t -169.21 55.59 0.04 OUTLIER 'General case' 0 C--N 1.417 3.531 3 N-CA-C 96.655 -5.313 . . . . 0.0 96.655 -11.865 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.652 ' HB3' ' O ' ' A' ' 23' ' ' LYS . 56.9 t0 -69.41 -159.39 0.03 OUTLIER 'General case' 1 C--N 1.435 4.3 0 C-N-CA 124.725 1.21 . . . . 0.0 110.62 -158.135 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.1 p-10 -66.02 -25.4 67.05 Favored 'General case' 0 C--N 1.419 3.622 0 CA-C-N 123.183 2.719 . . . . 0.0 110.533 -168.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.439 ' OD1' ' HG3' ' A' ' 23' ' ' LYS . 52.8 p-10 -156.01 -6.56 0.12 Allowed 'General case' 0 N--CA 1.413 -2.287 0 O-C-N 120.09 -1.631 . . . . 0.0 110.222 -178.126 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.652 ' O ' ' HB3' ' A' ' 20' ' ' ASP . 0.4 OUTLIER -144.04 159.16 43.08 Favored 'General case' 0 N--CA 1.399 -3.006 0 N-CA-C 104.418 -2.438 . . . . 0.0 104.418 174.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.632 ' HA ' ' H ' ' A' ' 20' ' ' ASP 0.387 35.3 m -110.53 138.66 46.63 Favored 'General case' 0 N--CA 1.395 -3.207 0 CA-C-N 121.743 2.065 . . . . 0.0 111.005 -158.907 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.699 HG22 ' SG ' ' A' ' 26' ' ' CYS . 12.8 p -115.28 -88.05 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.393 2.5 0 C-N-CA 115.673 -2.411 . . . . 0.0 110.486 -167.456 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.699 ' SG ' HG22 ' A' ' 25' ' ' VAL . 73.5 m -133.17 157.15 46.09 Favored 'General case' 0 C--N 1.424 3.826 2 CA-C-N 128.625 5.193 . . . . 0.0 116.484 -162.378 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.816 ' O ' ' HB1' ' A' ' 15' ' ' ALA . 96.8 mt-10 -141.06 168.81 13.02 Favored Pre-proline 1 C--N 1.444 4.713 0 N-CA-C 105.009 -2.219 . . . . 0.0 105.009 171.827 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.5 OUTLIER -79.2 166.58 22.55 Favored 'Trans proline' 0 N--CA 1.415 -3.094 0 CA-C-N 127.073 3.562 . . . . 0.0 108.644 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt . . . . . 0 C--N 1.382 2.01 0 O-C-N 120.603 -1.311 . . . . 0.0 108.393 -174.988 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.481 ' OG1' ' HG2' ' A' ' 4' ' ' GLU . 64.1 p . . . . . 0 N--CA 1.389 -3.518 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.3 p -78.69 35.8 0.25 Allowed 'General case' 0 N--CA 1.415 -2.218 0 O-C-N 119.66 -1.9 . . . . 0.0 109.491 -178.323 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.481 ' HG2' ' OG1' ' A' ' 2' ' ' THR . 21.4 pt-20 -99.56 2.51 44.78 Favored 'General case' 0 C--N 1.415 3.423 0 O-C-N 119.346 -2.097 . . . . 0.0 108.619 177.233 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -105.57 3.93 29.82 Favored 'General case' 0 C--N 1.381 1.971 0 N-CA-C 104.191 -2.522 . . . . 0.0 104.191 172.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.483 ' HB3' ' HB2' ' A' ' 24' ' ' CYS 0.252 70.5 m -106.15 -4.76 0.11 Allowed Pre-proline 0 N--CA 1.382 -3.859 0 O-C-N 119.867 -1.771 . . . . 0.0 113.736 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.636 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -86.82 3.76 6.55 Favored 'Trans proline' 1 C--N 1.446 5.699 0 CA-C-N 125.314 2.934 . . . . 0.0 108.217 -155.98 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . 0.252 74.4 tt0 -110.28 -15.69 13.91 Favored 'General case' 0 N--CA 1.395 -3.177 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 178.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -71.36 -7.46 47.34 Favored 'General case' 0 N--CA 1.42 -1.95 0 O-C-N 120.156 -1.59 . . . . 0.0 111.355 -164.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.1 t -113.71 2.28 15.16 Favored 'General case' 0 N--CA 1.411 -2.393 0 O-C-N 118.848 -2.407 . . . . 0.0 107.527 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.91 -18.75 63.41 Favored 'General case' 0 C--N 1.401 2.818 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 170.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.268 89.6 m -40.05 -35.98 0.43 Allowed 'General case' 0 N--CA 1.393 -3.317 0 C-N-CA 123.335 0.654 . . . . 0.0 111.637 171.308 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -131.87 -50.25 0.96 Allowed 'General case' 0 C--N 1.41 3.235 0 O-C-N 119.291 -2.13 . . . . 0.0 109.937 176.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . 0.293 54.2 m-20 -124.03 -21.98 4.94 Favored 'General case' 0 C--N 1.392 2.414 0 O-C-N 118.769 -2.457 . . . . 0.0 112.892 -169.658 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.652 ' HB1' ' O ' ' A' ' 27' ' ' GLU 0.282 . . -140.78 -175.75 4.41 Favored 'General case' 0 N--CA 1.405 -2.695 0 N-CA-C 117.178 2.288 . . . . 0.0 117.178 -140.358 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.571 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 10.2 tpt180 -101.36 -153.23 0.45 Allowed 'General case' 0 C--N 1.39 2.343 1 N-CA-C 99.65 -4.204 . . . . 0.0 99.65 163.698 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.666 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -164.25 152.5 12.76 Favored 'General case' 0 C--N 1.415 3.435 2 CA-C-N 128.777 5.262 . . . . 0.0 117.778 178.718 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.64 ' HD2' ' SG ' ' A' ' 19' ' ' CYS 0.423 2.2 mmmp? -167.58 162.06 14.04 Favored 'General case' 1 C--N 1.444 4.703 0 CA-C-O 114.51 -2.662 . . . . 0.0 105.429 -174.178 . . . . . . . . 4 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.64 ' SG ' ' HD2' ' A' ' 18' ' ' LYS . 73.1 m -160.92 82.79 0.65 Allowed 'General case' 0 C--N 1.427 3.955 4 N-CA-C 92.012 -7.032 . . . . 0.0 92.012 -29.589 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.576 ' H ' ' HA ' ' A' ' 24' ' ' CYS . 59.7 t0 -84.97 -150.79 0.13 Allowed 'General case' 0 C--N 1.384 2.098 0 O-C-N 120.089 -1.632 . . . . 0.0 109.553 -139.374 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.1 p-10 -60.81 -15.61 31.83 Favored 'General case' 0 C--N 1.411 3.245 0 CA-C-N 122.348 2.34 . . . . 0.0 107.201 174.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -164.02 -8.81 0.03 OUTLIER 'General case' 0 N--CA 1.401 -2.916 0 C-N-CA 118.313 -1.355 . . . . 0.0 111.553 162.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.42 ' H ' ' HB3' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -172.14 46.23 0.02 OUTLIER 'General case' 1 C--N 1.46 5.382 1 N-CA-C 124.521 5.008 . . . . 0.0 124.521 -149.32 . . . . . . . . 5 4 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.576 ' HA ' ' H ' ' A' ' 20' ' ' ASP . 63.7 m -143.01 166.88 23.41 Favored 'General case' 1 C--N 1.433 4.215 2 CA-C-N 132.95 7.159 . . . . 0.0 102.25 -9.826 . . . . . . . . 4 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.666 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 15.0 p -122.97 -127.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.42 3.664 1 CA-C-N 126.639 4.29 . . . . 0.0 109.703 -176.461 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.475 ' SG ' HG22 ' A' ' 25' ' ' VAL . 76.9 m -111.7 166.47 11.15 Favored 'General case' 1 C--N 1.439 4.497 1 CA-C-N 126.998 4.453 . . . . 0.0 117.667 -154.765 . . . . . . . . 4 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.652 ' O ' ' HB1' ' A' ' 15' ' ' ALA . 95.9 mt-10 -136.53 174.96 3.89 Favored Pre-proline 1 C--N 1.447 4.81 0 N-CA-C 104.68 -2.341 . . . . 0.0 104.68 166.33 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.499 ' HD2' ' HB3' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -81.07 169.25 16.35 Favored 'Trans proline' 0 C--N 1.403 3.422 0 CA-C-N 126.776 3.456 . . . . 0.0 108.048 172.672 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt . . . . . 0 C--N 1.375 1.69 0 O-C-N 120.693 -1.255 . . . . 0.0 108.865 -175.499 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 CA--C 1.493 -1.236 0 CA-C-O 121.57 0.7 . . . . 0.0 109.867 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.475 ' HA ' ' SG ' ' A' ' 6' ' ' CYS . 28.1 p -77.3 24.64 0.18 Allowed 'General case' 0 N--CA 1.398 -3.047 0 O-C-N 118.413 -2.679 . . . . 0.0 109.5 -178.598 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -93.16 -0.81 56.83 Favored 'General case' 0 C--N 1.426 3.913 0 O-C-N 119.737 -1.852 . . . . 0.0 108.116 171.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -111.06 5.34 20.14 Favored 'General case' 0 CA--C 1.457 -2.61 0 N-CA-C 105.639 -1.986 . . . . 0.0 105.639 175.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.499 ' HB3' ' HB2' ' A' ' 24' ' ' CYS 0.295 73.6 m -96.95 -17.63 0.21 Allowed Pre-proline 0 N--CA 1.386 -3.643 0 CA-C-O 117.005 -1.474 . . . . 0.0 114.012 173.822 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.596 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -81.52 -6.71 12.7 Favored 'Trans proline' 2 N--CA 1.381 -5.134 0 CA-C-N 125.442 2.979 . . . . 0.0 108.076 -158.045 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -97.32 -3.36 40.62 Favored 'General case' 0 N--CA 1.4 -2.97 0 O-C-N 119.272 -2.143 . . . . 0.0 107.862 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -83.32 -22.31 32.95 Favored 'General case' 0 N--CA 1.41 -2.46 0 O-C-N 120.108 -1.62 . . . . 0.0 109.891 -164.027 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.588 ' HB3' ' O ' ' A' ' 16' ' ' ARG . 49.5 t -94.1 8.43 41.59 Favored 'General case' 0 C--N 1.38 1.91 0 O-C-N 118.909 -2.369 . . . . 0.0 107.513 178.206 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.69 -16.54 62.8 Favored 'General case' 0 C--N 1.388 2.281 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 172.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.4 m -61.51 -40.13 93.51 Favored 'General case' 0 N--CA 1.389 -3.486 0 O-C-N 121.556 -0.715 . . . . 0.0 110.51 178.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -111.95 -57.62 2.24 Favored 'General case' 0 C--N 1.394 2.502 0 O-C-N 119.904 -1.747 . . . . 0.0 108.666 -176.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -104.29 -66.84 0.93 Allowed 'General case' 0 N--CA 1.408 -2.53 0 O-C-N 119.437 -2.039 . . . . 0.0 108.373 -174.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 27' ' ' GLU . . . -166.23 -61.08 0.03 OUTLIER 'General case' 0 N--CA 1.408 -2.555 0 CA-C-N 122.881 2.582 . . . . 0.0 113.528 -167.261 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.602 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 36.0 ttt180 -153.41 -160.63 1.14 Allowed 'General case' 0 C--N 1.386 2.156 0 CA-C-N 123.062 2.665 . . . . 0.0 106.163 -178.406 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.596 ' HB3' ' HA ' ' A' ' 7' ' ' PRO . . . -162.94 173.53 13.53 Favored 'General case' 0 C--N 1.423 3.775 1 CA-C-N 127.813 4.824 . . . . 0.0 117.895 -176.832 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 25' ' ' VAL 0.364 3.9 mmmp? -178.59 144.76 0.29 Allowed 'General case' 0 C--N 1.426 3.904 0 N-CA-C 102.065 -3.309 . . . . 0.0 102.065 -168.645 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.0 t 168.22 49.27 0.0 OUTLIER 'General case' 0 C--N 1.408 3.147 3 CA-C-N 130.618 6.099 . . . . 0.0 94.544 -7.147 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.909 ' HB3' ' O ' ' A' ' 23' ' ' LYS . 46.5 t0 -81.18 -155.55 0.12 Allowed 'General case' 0 C--N 1.408 3.144 0 CA-C-O 117.088 -1.434 . . . . 0.0 107.965 -151.561 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.427 ' OD1' ' NZ ' ' A' ' 23' ' ' LYS . 24.4 p-10 -54.37 -27.61 37.51 Favored 'General case' 0 C--N 1.426 3.923 0 CA-C-N 123.281 2.764 . . . . 0.0 109.351 -172.008 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -160.95 -15.74 0.05 OUTLIER 'General case' 0 N--CA 1.418 -2.068 0 O-C-N 120.972 -1.08 . . . . 0.0 108.093 163.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.909 ' O ' ' HB3' ' A' ' 20' ' ' ASP . 1.0 OUTLIER -125.16 132.12 53.12 Favored 'General case' 0 C--N 1.386 2.155 0 O-C-N 119.503 -1.998 . . . . 0.0 106.232 -170.219 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.499 ' HB2' ' HB3' ' A' ' 6' ' ' CYS 0.384 30.6 m -107.33 150.99 26.08 Favored 'General case' 0 N--CA 1.426 -1.672 0 O-C-N 119.541 -1.974 . . . . 0.0 114.784 -150.565 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.474 HG22 ' N ' ' A' ' 26' ' ' CYS . 14.7 p -144.05 -155.63 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.424 3.832 0 CA-C-N 121.371 1.896 . . . . 0.0 109.947 179.589 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.516 ' HA ' ' O ' ' A' ' 16' ' ' ARG . 39.1 m -69.62 158.04 36.06 Favored 'General case' 0 C--N 1.396 2.605 0 N-CA-C 120.973 3.694 . . . . 0.0 120.973 -136.287 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.613 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 97.0 mt-10 -131.67 168.3 18.12 Favored Pre-proline 1 C--N 1.436 4.336 0 N-CA-C 102.953 -2.98 . . . . 0.0 102.953 161.842 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -85.06 161.82 11.64 Favored 'Trans proline' 1 C--N 1.424 4.529 0 CA-C-N 124.731 2.725 . . . . 0.0 109.262 177.71 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.463 ' N ' ' HB1' ' A' ' 15' ' ' ALA . 16.3 ptmt . . . . . 0 C--N 1.391 2.413 0 O-C-N 120.829 -1.169 . . . . 0.0 109.21 -173.067 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.5 p . . . . . 0 CA--C 1.498 -1.037 0 CA-C-O 121.489 0.661 . . . . 0.0 111.728 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.7 p -81.0 75.51 7.98 Favored 'General case' 0 N--CA 1.385 -3.694 0 N-CA-C 103.989 -2.597 . . . . 0.0 103.989 168.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -102.44 -35.3 8.83 Favored 'General case' 0 C--N 1.409 3.188 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 168.332 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -78.21 -60.46 2.36 Favored 'General case' 0 CA--C 1.462 -2.412 0 O-C-N 119.216 -2.177 . . . . 0.0 105.978 -178.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 8' ' ' GLU . 86.3 m -32.95 -42.38 0.31 Allowed Pre-proline 0 C--N 1.405 2.981 0 CA-C-O 114.555 -2.64 . . . . 0.0 114.601 -178.497 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.653 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -26.8 -16.49 0.0 OUTLIER 'Trans proline' 1 C--N 1.449 5.851 0 C-N-CA 124.197 3.265 . . . . 0.0 117.322 158.207 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 6' ' ' CYS 0.35 78.6 tt0 -115.82 -35.29 4.52 Favored 'General case' 0 N--CA 1.382 -3.837 0 O-C-N 119.99 -1.694 . . . . 0.0 108.918 177.501 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.417 ' N ' ' O ' ' A' ' 6' ' ' CYS . 59.9 t60 -68.0 -7.25 27.41 Favored 'General case' 0 C--N 1.392 2.444 0 O-C-N 120.106 -1.622 . . . . 0.0 112.748 -165.72 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 52.0 t -110.37 -2.1 16.82 Favored 'General case' 0 C--N 1.385 2.128 0 O-C-N 118.467 -2.646 . . . . 0.0 108.091 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.496 ' HA ' ' O ' ' A' ' 15' ' ' ALA . . . -72.01 -14.41 61.88 Favored 'General case' 0 C--N 1.388 2.246 0 N-CA-C 106.078 -1.823 . . . . 0.0 106.078 170.294 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.269 87.1 m -49.95 -33.94 19.21 Favored 'General case' 0 N--CA 1.393 -3.32 0 C-N-CA 122.727 0.411 . . . . 0.0 111.547 173.316 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . 0.333 32.8 mm-40 -126.99 -55.28 1.38 Allowed 'General case' 0 C--N 1.4 2.771 0 O-C-N 119.946 -1.721 . . . . 0.0 109.572 -177.325 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . 0.321 36.7 t30 -124.53 -35.52 2.74 Favored 'General case' 0 N--CA 1.416 -2.172 0 O-C-N 120.038 -1.664 . . . . 0.0 110.604 -160.049 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.895 ' HB1' ' O ' ' A' ' 27' ' ' GLU . . . -141.99 -154.43 0.52 Allowed 'General case' 0 N--CA 1.384 -3.736 0 C-N-CA 116.994 -1.882 . . . . 0.0 114.066 -147.088 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.554 HH11 ' HG3' ' A' ' 16' ' ' ARG . 12.0 ttt85 -118.11 -144.23 0.37 Allowed 'General case' 0 N--CA 1.393 -3.323 1 N-CA-C 97.832 -4.877 . . . . 0.0 97.832 168.208 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.813 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -163.21 158.73 22.0 Favored 'General case' 0 C--N 1.414 3.413 1 CA-C-N 129.387 5.54 . . . . 0.0 121.657 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.53 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 27.3 mmtp -121.77 -144.43 0.34 Allowed 'General case' 1 C--N 1.435 4.304 0 C-N-CA 125.126 1.37 . . . . 0.0 110.833 -171.345 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.53 ' H ' ' HB3' ' A' ' 18' ' ' LYS 0.335 45.3 m -129.31 135.76 49.16 Favored 'General case' 2 C--N 1.443 4.666 0 N-CA-C 104.193 -2.521 . . . . 0.0 104.193 -168.34 . . . . . . . . 4 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.477 ' N ' ' HA ' ' A' ' 24' ' ' CYS . 68.3 t0 -104.47 -146.73 0.38 Allowed 'General case' 0 C--N 1.406 3.058 0 CA-C-N 123.587 2.903 . . . . 0.0 104.71 -168.053 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -70.41 -41.59 72.77 Favored 'General case' 0 C--N 1.401 2.805 0 CA-C-N 125.131 3.605 . . . . 0.0 106.17 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . 0.264 50.6 m-20 -143.35 -28.73 0.54 Allowed 'General case' 0 C--N 1.387 2.226 0 O-C-N 120.353 -1.467 . . . . 0.0 107.122 176.057 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.479 ' O ' ' HD3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -113.6 84.55 2.04 Favored 'General case' 0 C--N 1.382 1.985 0 CA-C-O 124.416 2.055 . . . . 0.0 105.98 -169.532 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.477 ' HA ' ' N ' ' A' ' 20' ' ' ASP 0.288 7.2 p -41.39 157.65 0.02 OUTLIER 'General case' 0 N--CA 1.433 -1.295 0 N-CA-C 119.714 3.228 . . . . 0.0 119.714 -170.021 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.813 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 14.9 p -154.05 -127.32 0.01 OUTLIER 'Isoleucine or valine' 1 C--N 1.476 6.088 0 CA-C-O 114.398 -2.715 . . . . 0.0 109.541 -165.464 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.536 ' SG ' HG22 ' A' ' 25' ' ' VAL 0.263 64.1 m -107.16 156.75 18.48 Favored 'General case' 1 C--N 1.49 6.697 1 CA-C-N 127.743 4.792 . . . . 0.0 120.438 -151.872 . . . . . . . . 5 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.895 ' O ' ' HB1' ' A' ' 15' ' ' ALA 0.284 96.4 mt-10 -133.39 179.46 1.37 Allowed Pre-proline 1 C--N 1.48 6.272 0 N-CA-C 104.869 -2.271 . . . . 0.0 104.869 169.331 . . . . . . . . 4 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.553 ' HD2' ' HB3' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -84.76 163.36 12.15 Favored 'Trans proline' 1 C--N 1.421 4.378 0 CA-C-N 127.265 3.63 . . . . 0.0 109.04 170.83 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.431 ' HA ' ' HB2' ' A' ' 16' ' ' ARG . 17.4 ptmt . . . . . 0 C--N 1.389 2.291 0 O-C-N 120.655 -1.278 . . . . 0.0 109.064 -177.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.5 p . . . . . 0 CA--C 1.472 -2.035 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.0 p -76.26 26.9 0.12 Allowed 'General case' 0 N--CA 1.398 -3.072 0 O-C-N 120.024 -1.673 . . . . 0.0 108.656 177.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.625 ' C ' ' HD3' ' A' ' 7' ' ' PRO . 17.0 pt-20 -83.15 8.54 12.84 Favored 'General case' 0 C--N 1.411 3.268 0 O-C-N 120.179 -1.575 . . . . 0.0 109.415 160.573 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.755 ' N ' ' HB2' ' A' ' 6' ' ' CYS . 13.0 t70 -107.09 -12.2 15.46 Favored 'General case' 0 C--N 1.402 2.886 0 N-CA-C 119.672 3.212 . . . . 0.0 119.672 -163.418 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.755 ' HB2' ' N ' ' A' ' 5' ' ' ASP . 83.4 m 104.88 -42.63 0.0 OUTLIER Pre-proline 1 C--N 1.482 6.345 3 CA-C-N 133.309 7.322 . . . . 0.0 110.85 -3.091 . . . . . . . . 4 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.625 ' HD3' ' C ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -97.94 -5.13 1.02 Allowed 'Trans proline' 2 C--N 1.447 5.751 0 CA-C-N 126.458 3.342 . . . . 0.0 108.08 -168.121 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -107.37 -12.78 15.25 Favored 'General case' 0 N--CA 1.382 -3.86 0 N-CA-C 104.601 -2.37 . . . . 0.0 104.601 -178.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -76.14 -1.3 25.48 Favored 'General case' 0 N--CA 1.406 -2.627 0 O-C-N 120.628 -1.295 . . . . 0.0 111.847 -168.379 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.766 ' HB2' HG23 ' A' ' 25' ' ' VAL . 42.2 t -111.01 -5.88 14.75 Favored 'General case' 0 C--N 1.382 2.009 0 O-C-N 118.632 -2.543 . . . . 0.0 107.032 177.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.57 -20.15 63.67 Favored 'General case' 0 C--N 1.402 2.868 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 172.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.296 88.5 m -42.19 -36.51 1.22 Allowed 'General case' 0 N--CA 1.399 -2.99 0 C-N-CA 123.298 0.639 . . . . 0.0 111.926 171.267 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . 0.294 0.8 OUTLIER -122.92 -62.08 1.38 Allowed 'General case' 0 C--N 1.397 2.639 0 O-C-N 120.064 -1.648 . . . . 0.0 107.903 -179.692 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.5 p-10 -140.65 0.9 1.68 Allowed 'General case' 0 C--N 1.389 2.326 0 O-C-N 119.7 -1.875 . . . . 0.0 113.985 -163.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.769 ' HB1' ' O ' ' A' ' 27' ' ' GLU . . . -150.13 -146.66 0.2 Allowed 'General case' 0 N--CA 1.415 -2.223 0 CA-C-N 122.515 2.416 . . . . 0.0 114.645 -166.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.556 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 20.8 tpt180 -127.94 -156.32 0.75 Allowed 'General case' 0 C--N 1.386 2.183 1 N-CA-C 95.834 -5.617 . . . . 0.0 95.834 175.471 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.603 ' HB1' ' HA ' ' A' ' 25' ' ' VAL . . . -158.87 -179.1 7.75 Favored 'General case' 0 C--N 1.406 3.033 1 CA-C-N 129.611 5.641 . . . . 0.0 119.312 173.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.469 ' HG2' ' HG3' ' A' ' 27' ' ' GLU . 3.7 mmmp? -144.34 -105.7 0.11 Allowed 'General case' 1 C--N 1.429 4.049 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -174.794 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . 0.362 6.1 t -158.17 115.93 2.98 Favored 'General case' 0 N--CA 1.39 -3.453 0 O-C-N 119.204 -2.185 . . . . 0.0 105.449 -149.171 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.675 ' HB2' HG12 ' A' ' 25' ' ' VAL . 63.1 t0 -98.99 -148.68 0.34 Allowed 'General case' 0 C--N 1.391 2.373 0 CA-C-O 115.894 -2.003 . . . . 0.0 106.588 -159.762 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -54.0 -33.77 58.04 Favored 'General case' 1 C--N 1.432 4.174 0 CA-C-N 124.509 3.322 . . . . 0.0 105.883 176.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -158.53 7.96 0.13 Allowed 'General case' 0 C--N 1.391 2.399 0 O-C-N 121.15 -0.969 . . . . 0.0 108.442 163.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.623 ' H ' ' HB3' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -162.07 64.01 0.23 Allowed 'General case' 1 C--N 1.437 4.41 0 N-CA-C 120.775 3.62 . . . . 0.0 120.775 -154.053 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.492 ' HB3' ' HB3' ' A' ' 6' ' ' CYS 0.448 71.9 m -154.1 131.66 11.38 Favored 'General case' 1 C--N 1.443 4.66 2 CA-C-N 131.057 6.299 . . . . 0.0 103.585 -11.834 . . . . . . . . 5 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.766 HG23 ' HB2' ' A' ' 10' ' ' CYS . 10.6 p -175.25 158.3 0.32 Allowed 'Isoleucine or valine' 1 C--N 1.434 4.267 0 CA-C-N 125.853 3.933 . . . . 0.0 107.307 -174.755 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.637 ' SG ' HG22 ' A' ' 25' ' ' VAL 0.361 65.0 m -132.6 167.1 20.64 Favored 'General case' 1 C--N 1.525 8.236 2 CA-C-N 132.792 7.087 . . . . 0.0 107.192 -10.085 . . . . . . . . 5 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.769 ' O ' ' HB1' ' A' ' 15' ' ' ALA 0.285 91.7 mt-10 -136.02 167.19 23.02 Favored Pre-proline 1 C--N 1.446 4.78 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 164.659 . . . . . . . . 4 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER -85.01 175.19 6.78 Favored 'Trans proline' 0 N--CA 1.409 -3.453 0 CA-C-N 125.473 2.99 . . . . 0.0 107.351 168.51 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? . . . . . 0 C--N 1.388 2.267 0 O-C-N 119.794 -1.816 . . . . 0.0 107.9 177.17 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.354 0 N-CA-C 106.922 -1.511 . . . . 0.0 106.922 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 82.3 p 46.55 46.14 14.26 Favored 'General case' 0 C--N 1.411 3.26 0 C-N-CA 123.181 0.592 . . . . 0.0 111.131 173.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.554 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 27.4 p -75.76 9.59 2.24 Favored 'General case' 0 N--CA 1.414 -2.27 0 O-C-N 119.559 -1.963 . . . . 0.0 107.603 171.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -68.59 -10.39 55.6 Favored 'General case' 0 C--N 1.418 3.579 0 O-C-N 120.696 -1.253 . . . . 0.0 109.81 164.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -95.13 1.47 54.87 Favored 'General case' 0 C--N 1.379 1.861 0 O-C-N 117.905 -2.997 . . . . 0.0 106.611 176.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.428 ' HB3' ' HB2' ' A' ' 24' ' ' CYS 0.318 78.5 m -103.13 -13.74 0.16 Allowed Pre-proline 0 N--CA 1.405 -2.699 0 O-C-N 119.214 -2.179 . . . . 0.0 115.182 -177.556 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.668 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 0.4 OUTLIER -81.32 -3.96 12.27 Favored 'Trans proline' 2 C--N 1.428 4.758 0 CA-C-N 125.387 2.96 . . . . 0.0 108.358 -155.524 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -98.5 -10.67 23.2 Favored 'General case' 0 N--CA 1.392 -3.331 0 O-C-N 120.251 -1.53 . . . . 0.0 108.224 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.469 ' ND1' ' O ' ' A' ' 9' ' ' HIS . 13.2 t-80 -86.18 -14.71 43.2 Favored 'General case' 0 N--CA 1.411 -2.379 0 O-C-N 119.743 -1.848 . . . . 0.0 111.258 -163.259 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.484 ' SG ' ' HB3' ' A' ' 15' ' ' ALA . 54.0 t -95.93 2.11 53.32 Favored 'General case' 0 C--N 1.376 1.738 0 O-C-N 118.167 -2.833 . . . . 0.0 106.399 174.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.484 ' HA ' ' O ' ' A' ' 15' ' ' ALA . . . -75.08 -15.31 60.62 Favored 'General case' 0 CA--C 1.463 -2.399 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 173.28 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.9 m -53.83 -31.11 48.09 Favored 'General case' 0 N--CA 1.389 -3.519 0 O-C-N 121.995 -0.44 . . . . 0.0 110.51 176.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 -117.01 -65.87 1.14 Allowed 'General case' 0 C--N 1.401 2.838 0 O-C-N 119.61 -1.931 . . . . 0.0 109.101 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . 0.312 42.7 m-20 -125.06 -18.83 5.35 Favored 'General case' 0 CA--C 1.47 -2.106 0 O-C-N 118.922 -2.361 . . . . 0.0 111.314 -169.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.737 ' HB1' ' O ' ' A' ' 27' ' ' GLU . . . -139.57 -148.61 0.26 Allowed 'General case' 0 N--CA 1.391 -3.393 0 C-N-CA 117.371 -1.732 . . . . 0.0 113.811 -141.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.423 ' H ' ' H ' ' A' ' 27' ' ' GLU . 43.3 ttt180 -136.25 -156.48 0.71 Allowed 'General case' 0 N--CA 1.393 -3.284 0 N-CA-C 100.408 -3.923 . . . . 0.0 100.408 169.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.668 ' HB3' ' HA ' ' A' ' 7' ' ' PRO . . . -160.32 166.26 29.78 Favored 'General case' 0 C--N 1.405 2.998 1 CA-C-N 128.815 5.279 . . . . 0.0 118.598 -178.617 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 17' ' ' ALA 0.317 2.6 mmmp? -177.19 146.0 0.48 Allowed 'General case' 0 C--N 1.427 3.942 0 N-CA-C 101.835 -3.394 . . . . 0.0 101.835 -171.524 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.2 t 178.29 57.2 0.01 OUTLIER 'General case' 0 C--N 1.423 3.771 3 CA-C-N 129.425 5.557 . . . . 0.0 96.716 -7.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.853 ' HB3' ' O ' ' A' ' 23' ' ' LYS . 56.3 t0 -73.34 -148.17 0.02 OUTLIER 'General case' 0 C--N 1.417 3.529 0 CA-C-O 117.493 -1.241 . . . . 0.0 109.31 -157.344 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.519 ' OD1' ' HE3' ' A' ' 23' ' ' LYS . 26.9 p-10 -61.37 -30.12 70.33 Favored 'General case' 0 C--N 1.428 3.982 0 CA-C-N 124.011 3.096 . . . . 0.0 107.531 -172.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' A' ' 21' ' ' ASN . 46.5 t0 -173.56 25.73 0.01 OUTLIER 'General case' 0 C--N 1.401 2.809 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 161.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.853 ' O ' ' HB3' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -153.77 124.6 7.25 Favored 'General case' 0 C--N 1.394 2.509 0 N-CA-C 104.076 -2.565 . . . . 0.0 104.076 -179.443 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.554 ' SG ' ' HB2' ' A' ' 3' ' ' CYS . 16.7 m -112.72 173.18 6.5 Favored 'General case' 0 C--N 1.39 2.339 0 O-C-N 118.861 -2.4 . . . . 0.0 116.66 -143.497 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.454 HG22 ' H ' ' A' ' 26' ' ' CYS . 15.0 p -150.28 -153.42 0.03 OUTLIER 'Isoleucine or valine' 1 C--N 1.431 4.122 0 O-C-N 120.235 -1.541 . . . . 0.0 109.085 -175.904 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.454 ' H ' HG22 ' A' ' 25' ' ' VAL . 58.8 m -85.09 160.54 19.96 Favored 'General case' 0 C--N 1.388 2.281 0 CA-C-N 125.842 3.928 . . . . 0.0 120.052 -140.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.737 ' O ' ' HB1' ' A' ' 15' ' ' ALA . 96.2 mt-10 -133.44 165.64 35.2 Favored Pre-proline 1 C--N 1.437 4.382 0 N-CA-C 103.954 -2.61 . . . . 0.0 103.954 163.738 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -81.0 167.74 17.85 Favored 'Trans proline' 0 C--N 1.4 3.254 0 CA-C-N 126.552 3.376 . . . . 0.0 109.002 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt . . . . . 0 C--N 1.38 1.923 0 O-C-N 120.705 -1.247 . . . . 0.0 108.808 -173.766 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.282 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.4 t -166.82 139.23 3.56 Favored 'General case' 0 N--CA 1.406 -2.651 0 O-C-N 120.302 -1.499 . . . . 0.0 107.569 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.445 ' HA ' ' SG ' ' A' ' 6' ' ' CYS 0.257 26.0 p -88.99 38.14 0.87 Allowed 'General case' 0 N--CA 1.408 -2.552 0 O-C-N 119.522 -1.986 . . . . 0.0 108.64 -176.772 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -103.91 -1.01 28.33 Favored 'General case' 0 C--N 1.423 3.783 0 O-C-N 120.156 -1.59 . . . . 0.0 107.833 167.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -100.77 -17.14 17.07 Favored 'General case' 0 CA--C 1.469 -2.161 0 N-CA-C 104.856 -2.275 . . . . 0.0 104.856 175.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.457 ' HB3' ' HB2' ' A' ' 24' ' ' CYS 0.332 60.7 m -91.44 -17.39 0.22 Allowed Pre-proline 1 N--CA 1.374 -4.266 0 N-CA-C 115.942 1.831 . . . . 0.0 115.942 -173.058 . . . . . . . . 4 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.835 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 0.4 OUTLIER -79.96 -4.3 13.24 Favored 'Trans proline' 2 C--N 1.438 5.28 0 CA-C-N 124.559 2.664 . . . . 0.0 107.882 -162.011 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -91.25 -12.07 36.3 Favored 'General case' 0 N--CA 1.392 -3.357 0 O-C-N 120.257 -1.527 . . . . 0.0 107.836 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.05 -49.1 10.6 Favored 'General case' 0 N--CA 1.416 -2.134 0 O-C-N 120.464 -1.397 . . . . 0.0 110.488 -166.222 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.402 ' HB3' ' HB2' ' A' ' 17' ' ' ALA . 47.1 t -85.11 2.19 44.54 Favored 'General case' 0 CA--C 1.477 -1.84 0 O-C-N 118.942 -2.348 . . . . 0.0 106.757 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.47 ' HA ' ' O ' ' A' ' 15' ' ' ALA . . . -74.46 -18.75 60.59 Favored 'General case' 0 N--CA 1.393 -3.308 0 O-C-N 120.426 -1.421 . . . . 0.0 107.845 175.347 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.2 m -59.45 -44.8 92.88 Favored 'General case' 0 N--CA 1.397 -3.12 0 O-C-N 121.51 -0.744 . . . . 0.0 111.465 -174.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -109.98 -38.7 5.26 Favored 'General case' 0 CA--C 1.462 -2.411 0 O-C-N 119.285 -2.134 . . . . 0.0 110.329 -170.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.444 ' OD1' ' HB2' ' A' ' 15' ' ' ALA . 24.3 t-20 -121.09 -32.85 3.84 Favored 'General case' 0 N--CA 1.407 -2.594 0 O-C-N 119.066 -2.271 . . . . 0.0 112.046 -168.607 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.584 ' HB1' ' O ' ' A' ' 27' ' ' GLU . . . -156.11 -135.25 0.04 OUTLIER 'General case' 0 N--CA 1.412 -2.363 0 O-C-N 118.898 -2.376 . . . . 0.0 113.85 -156.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.521 ' HB3' ' HG3' ' A' ' 27' ' ' GLU . 9.9 tpt180 -110.55 -135.45 0.36 Allowed 'General case' 0 C--N 1.406 3.028 1 N-CA-C 99.085 -4.413 . . . . 0.0 99.085 166.158 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.835 ' HB3' ' HA ' ' A' ' 7' ' ' PRO . . . -169.77 154.59 5.43 Favored 'General case' 1 C--N 1.442 4.588 1 CA-C-N 127.378 4.626 . . . . 0.0 116.374 167.065 . . . . . . . . 4 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 25' ' ' VAL 0.356 29.3 mmmt -165.55 -175.94 3.74 Favored 'General case' 1 C--N 1.463 5.537 0 CA-C-O 115.543 -2.17 . . . . 0.0 108.491 -172.869 . . . . . . . . 4 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.452 ' SG ' ' HE3' ' A' ' 18' ' ' LYS . 83.6 m -128.52 87.96 2.67 Favored 'General case' 0 C--N 1.417 3.511 1 N-CA-C 96.838 -5.245 . . . . 0.0 96.838 -78.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.505 ' H ' ' HA ' ' A' ' 24' ' ' CYS . 42.7 t0 -91.76 173.76 7.7 Favored 'General case' 0 C--N 1.399 2.722 0 O-C-N 120.317 -1.49 . . . . 0.0 109.429 -157.064 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -50.42 -28.28 7.92 Favored 'General case' 1 C--N 1.437 4.376 0 CA-C-N 121.752 2.069 . . . . 0.0 110.795 -168.292 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -145.79 -1.23 0.79 Allowed 'General case' 0 N--CA 1.401 -2.876 0 O-C-N 120.637 -1.289 . . . . 0.0 108.078 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.263 0.0 OUTLIER -127.11 -152.99 0.54 Allowed 'General case' 0 CA--C 1.461 -2.45 0 O-C-N 119.405 -2.06 . . . . 0.0 106.722 -177.749 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.505 ' HA ' ' H ' ' A' ' 20' ' ' ASP 0.348 55.9 m -133.92 115.08 13.99 Favored 'General case' 1 N--CA 1.378 -4.043 0 N-CA-C 104.935 -2.246 . . . . 0.0 104.935 159.425 . . . . . . . . 4 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.685 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 10.6 p -99.25 -91.73 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.389 2.287 0 CA-C-N 122.694 2.497 . . . . 0.0 107.951 -172.181 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.617 ' H ' HG13 ' A' ' 25' ' ' VAL . 82.3 m -132.18 154.35 49.64 Favored 'General case' 0 C--N 1.417 3.535 1 CA-C-N 127.515 4.689 . . . . 0.0 113.873 -166.472 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.584 ' O ' ' HB1' ' A' ' 15' ' ' ALA . 23.2 pt-20 -142.51 168.24 13.98 Favored Pre-proline 0 C--N 1.417 3.54 0 N-CA-C 101.834 -3.395 . . . . 0.0 101.834 162.383 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.471 ' HA ' ' HB1' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -80.11 166.22 20.93 Favored 'Trans proline' 0 C--N 1.411 3.825 0 CA-C-N 127.447 3.695 . . . . 0.0 110.127 -171.621 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt . . . . . 0 C--N 1.386 2.179 0 O-C-N 121.128 -0.982 . . . . 0.0 109.241 -174.062 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.482 -1.654 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 2' ' ' THR . 71.5 m 52.5 37.54 23.18 Favored 'General case' 0 C--N 1.403 2.917 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.541 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 25.7 p -78.72 22.58 0.36 Allowed 'General case' 0 N--CA 1.41 -2.434 0 O-C-N 118.74 -2.475 . . . . 0.0 109.38 -173.083 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -84.58 16.63 3.08 Favored 'General case' 0 C--N 1.399 2.736 0 O-C-N 120.272 -1.518 . . . . 0.0 109.64 163.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.724 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 41.4 t0 -98.2 -37.47 9.68 Favored 'General case' 0 C--N 1.389 2.303 0 O-C-N 118.282 -2.761 . . . . 0.0 117.634 -168.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.724 ' SG ' ' HB3' ' A' ' 5' ' ' ASP 0.255 86.9 m 111.54 -81.71 0.0 OUTLIER Pre-proline 1 C--N 1.478 6.174 3 CA-C-N 133.194 7.27 . . . . 0.0 102.376 13.187 . . . . . . . . 5 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.598 ' HA ' ' N ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -38.7 -50.29 2.48 Favored 'Trans proline' 1 C--N 1.467 6.812 0 CA-C-N 126.497 3.356 . . . . 0.0 114.653 169.127 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -77.29 -16.68 58.86 Favored 'General case' 1 N--CA 1.378 -4.054 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -169.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -81.45 -11.4 59.24 Favored 'General case' 0 N--CA 1.407 -2.578 0 O-C-N 119.857 -1.777 . . . . 0.0 110.717 -174.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 16' ' ' ARG . 41.8 t -106.09 -5.84 19.12 Favored 'General case' 0 N--CA 1.415 -2.205 0 O-C-N 118.757 -2.465 . . . . 0.0 105.866 178.026 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' A' ' 15' ' ' ALA . . . -75.99 -5.49 46.58 Favored 'General case' 0 C--N 1.406 3.027 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 171.457 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.8 m -49.56 -32.56 12.83 Favored 'General case' 0 N--CA 1.393 -3.319 0 O-C-N 121.833 -0.542 . . . . 0.0 110.316 170.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' A' ' 14' ' ' ASN . 15.3 pt20 -146.09 -49.59 0.22 Allowed 'General case' 0 C--N 1.401 2.847 0 O-C-N 119.691 -1.881 . . . . 0.0 111.771 -175.265 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.457 ' N ' ' HG3' ' A' ' 13' ' ' GLN 0.269 54.1 m-20 -113.41 -34.03 5.73 Favored 'General case' 0 C--N 1.394 2.532 0 O-C-N 118.108 -2.87 . . . . 0.0 109.93 -173.75 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.773 ' HB1' ' O ' ' A' ' 27' ' ' GLU . . . -143.73 -140.67 0.12 Allowed 'General case' 0 N--CA 1.411 -2.412 0 C-N-CA 117.439 -1.704 . . . . 0.0 114.42 -148.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.646 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 9.6 ttt85 -143.0 -150.16 0.3 Allowed 'General case' 0 C--N 1.397 2.65 1 N-CA-C 99.27 -4.345 . . . . 0.0 99.27 179.415 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.598 ' N ' ' HA ' ' A' ' 7' ' ' PRO 0.251 . . -160.68 -179.95 8.04 Favored 'General case' 1 C--N 1.433 4.218 2 CA-C-N 130.621 6.101 . . . . 0.0 121.691 177.628 . . . . . . . . 5 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.655 ' HD3' ' HG2' ' A' ' 27' ' ' GLU . 31.4 mmmt -137.71 -126.64 0.13 Allowed 'General case' 1 C--N 1.44 4.511 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 -166.651 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . 0.32 35.4 m -148.38 109.2 4.24 Favored 'General case' 1 C--N 1.438 4.441 0 O-C-N 119.395 -2.066 . . . . 0.0 108.422 -169.111 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.71 ' HB3' ' O ' ' A' ' 23' ' ' LYS . 12.9 t0 -84.09 172.65 11.78 Favored 'General case' 0 C--N 1.403 2.933 0 O-C-N 118.496 -2.628 . . . . 0.0 104.045 170.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.526 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 47.5 t-20 -26.79 -46.87 0.03 OUTLIER 'General case' 0 C--N 1.427 3.968 0 CA-C-N 121.002 1.728 . . . . 0.0 111.178 -178.606 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -132.19 -39.45 1.05 Allowed 'General case' 0 N--CA 1.416 -2.129 0 O-C-N 119.732 -1.855 . . . . 0.0 109.935 172.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.71 ' O ' ' HB3' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -107.77 160.69 15.53 Favored 'General case' 0 C--N 1.381 1.937 0 O-C-N 119.494 -2.004 . . . . 0.0 106.697 -167.7 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.423 ' HB3' ' HB3' ' A' ' 6' ' ' CYS 0.453 19.3 m -115.65 154.5 29.38 Favored 'General case' 0 N--CA 1.423 -1.776 0 CA-C-N 123.592 2.906 . . . . 0.0 116.003 -151.287 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . 0.262 7.3 p 175.99 148.15 0.05 OUTLIER 'Isoleucine or valine' 1 C--N 1.443 4.671 0 CA-C-O 113.363 -3.208 . . . . 0.0 106.672 -174.818 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.303 52.7 m -136.17 159.96 40.14 Favored 'General case' 1 C--N 1.502 7.223 2 CA-C-N 131.586 6.539 . . . . 0.0 105.143 -18.103 . . . . . . . . 4 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.773 ' O ' ' HB1' ' A' ' 15' ' ' ALA 0.277 89.6 mt-10 -130.33 163.6 46.85 Favored Pre-proline 1 C--N 1.428 4.014 0 CA-C-N 122.04 2.2 . . . . 0.0 106.468 174.552 . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.7 OUTLIER -77.3 160.01 32.77 Favored 'Trans proline' 1 N--CA 1.394 -4.335 0 CA-C-N 124.033 2.476 . . . . 0.0 107.104 173.321 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt . . . . . 0 N--CA 1.425 -1.695 0 O-C-N 121.1 -1.0 . . . . 0.0 108.851 -175.217 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.487 -1.448 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.6 p -126.95 -169.71 2.08 Favored 'General case' 0 N--CA 1.399 -2.991 0 O-C-N 119.931 -1.73 . . . . 0.0 108.216 -178.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.262 26.9 p -84.85 35.0 0.55 Allowed 'General case' 0 N--CA 1.406 -2.646 0 O-C-N 119.704 -1.873 . . . . 0.0 109.258 178.295 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.524 ' C ' ' HD3' ' A' ' 7' ' ' PRO . 39.0 tp10 -89.64 -1.36 58.0 Favored 'General case' 0 C--N 1.408 3.139 0 C-N-CA 125.607 1.563 . . . . 0.0 107.298 156.41 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.576 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 39.7 t0 -92.34 -35.23 13.84 Favored 'General case' 0 C--N 1.39 2.346 0 O-C-N 117.13 -3.481 . . . . 0.0 118.401 -162.032 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.576 ' SG ' ' HB3' ' A' ' 5' ' ' ASP 0.259 96.0 m 115.04 -58.75 0.0 OUTLIER Pre-proline 1 C--N 1.483 6.387 3 CA-C-N 133.211 7.278 . . . . 0.0 107.863 6.116 . . . . . . . . 5 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.697 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -88.72 -13.26 3.33 Favored 'Trans proline' 1 C--N 1.424 4.517 0 CA-C-N 125.446 2.981 . . . . 0.0 108.816 -159.312 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -98.3 -9.56 25.27 Favored 'General case' 0 N--CA 1.4 -2.936 0 O-C-N 119.689 -1.882 . . . . 0.0 106.634 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.49 ' ND1' ' O ' ' A' ' 9' ' ' HIS . 52.7 t-80 -79.65 -1.38 37.93 Favored 'General case' 0 N--CA 1.406 -2.673 0 O-C-N 120.497 -1.377 . . . . 0.0 110.699 -161.617 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 15' ' ' ALA . 42.1 t -113.3 -3.45 13.83 Favored 'General case' 0 N--CA 1.401 -2.911 0 O-C-N 118.872 -2.392 . . . . 0.0 106.972 175.371 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.96 -22.41 64.12 Favored 'General case' 0 C--N 1.409 3.173 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 171.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.314 91.3 m -37.88 -36.73 0.21 Allowed 'General case' 0 N--CA 1.4 -2.963 0 C-N-CA 123.698 0.799 . . . . 0.0 111.903 169.302 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . 0.315 15.6 mm100 -129.07 -59.81 1.1 Allowed 'General case' 0 C--N 1.399 2.756 0 O-C-N 120.646 -1.284 . . . . 0.0 108.398 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . 0.278 18.3 m120 -116.36 -29.49 6.19 Favored 'General case' 0 C--N 1.387 2.201 0 O-C-N 119.369 -2.082 . . . . 0.0 112.53 -165.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.824 ' HB1' ' O ' ' A' ' 27' ' ' GLU . . . -142.55 -162.19 1.38 Allowed 'General case' 0 N--CA 1.405 -2.688 0 N-CA-C 117.031 2.234 . . . . 0.0 117.031 -137.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.638 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 18.6 tpt180 -114.61 -156.9 0.61 Allowed 'General case' 0 N--CA 1.409 -2.522 1 N-CA-C 97.805 -4.887 . . . . 0.0 97.805 167.087 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.754 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -162.82 158.04 22.18 Favored 'General case' 0 C--N 1.417 3.535 2 CA-C-N 129.968 5.804 . . . . 0.0 119.177 178.368 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.54 ' HB3' ' HB2' ' A' ' 19' ' ' CYS 0.39 7.8 mmpt? -166.26 159.93 15.45 Favored 'General case' 1 C--N 1.437 4.408 0 CA-C-O 115.82 -2.038 . . . . 0.0 106.063 -174.27 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.54 ' HB2' ' HB3' ' A' ' 18' ' ' LYS . 38.7 t -173.58 61.15 0.02 OUTLIER 'General case' 0 C--N 1.415 3.418 3 N-CA-C 93.225 -6.583 . . . . 0.0 93.225 -13.6 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.628 ' H ' ' HA ' ' A' ' 24' ' ' CYS . 60.1 t0 -77.78 -164.45 0.51 Allowed 'General case' 0 C--N 1.392 2.442 0 CA-C-O 116.431 -1.747 . . . . 0.0 108.314 -143.373 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -50.54 -24.49 3.24 Favored 'General case' 0 C--N 1.42 3.647 0 CA-C-N 123.543 2.883 . . . . 0.0 107.759 -176.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -166.38 8.51 0.03 OUTLIER 'General case' 0 C--N 1.414 3.394 0 O-C-N 121.586 -0.696 . . . . 0.0 110.486 165.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' H ' ' HB3' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -162.91 37.91 0.1 Allowed 'General case' 1 C--N 1.461 5.429 1 N-CA-C 127.057 5.947 . . . . 0.0 127.057 -156.074 . . . . . . . . 5 4 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.628 ' HA ' ' H ' ' A' ' 20' ' ' ASP 0.294 85.9 m -146.51 140.39 26.15 Favored 'General case' 1 C--N 1.442 4.588 2 CA-C-N 133.635 7.47 . . . . 0.0 101.7 -12.909 . . . . . . . . 5 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.754 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 13.6 p -101.56 -122.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.419 3.617 0 CA-C-N 125.713 3.87 . . . . 0.0 110.281 -165.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.462 ' H ' HG13 ' A' ' 25' ' ' VAL . 82.1 m -114.23 164.09 14.36 Favored 'General case' 1 C--N 1.446 4.777 1 CA-C-N 127.651 4.751 . . . . 0.0 117.549 -158.258 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.824 ' O ' ' HB1' ' A' ' 15' ' ' ALA 0.258 98.8 mt-10 -133.22 172.09 7.99 Favored Pre-proline 1 C--N 1.447 4.833 0 N-CA-C 103.655 -2.72 . . . . 0.0 103.655 166.975 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.411 ' HD2' ' HB3' ' A' ' 27' ' ' GLU . 0.5 OUTLIER -79.56 164.18 23.74 Favored 'Trans proline' 0 N--CA 1.415 -3.138 0 CA-C-N 127.076 3.563 . . . . 0.0 107.88 173.291 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt . . . . . 0 C--N 1.377 1.782 0 O-C-N 120.709 -1.244 . . . . 0.0 109.137 -175.023 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.485 -1.529 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 57.9 p -125.38 177.43 6.17 Favored 'General case' 0 N--CA 1.392 -3.337 0 O-C-N 120.025 -1.672 . . . . 0.0 107.87 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.507 ' HA ' ' SG ' ' A' ' 6' ' ' CYS 0.276 21.9 p -81.28 67.75 7.33 Favored 'General case' 0 N--CA 1.392 -3.348 0 N-CA-C 106.179 -1.786 . . . . 0.0 106.179 173.398 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.513 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 28.7 tp10 -119.02 -31.9 4.61 Favored 'General case' 1 C--N 1.442 4.609 0 N-CA-C 105.597 -2.001 . . . . 0.0 105.597 166.697 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -79.73 -25.74 41.02 Favored 'General case' 0 CA--C 1.466 -2.272 0 O-C-N 119.203 -2.185 . . . . 0.0 105.262 176.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.507 ' SG ' ' HA ' ' A' ' 3' ' ' CYS . 71.9 m -64.59 -43.95 72.51 Favored Pre-proline 0 N--CA 1.381 -3.885 0 CA-C-O 116.224 -1.846 . . . . 0.0 110.691 -175.099 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.617 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -29.33 -2.49 0.0 OUTLIER 'Trans proline' 1 C--N 1.449 5.839 1 C-N-CA 125.635 4.223 . . . . 0.0 120.506 167.328 . . . . . . . . 5 4 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 6' ' ' CYS . 88.8 tt0 -119.53 -19.66 8.06 Favored 'General case' 0 N--CA 1.397 -3.09 0 O-C-N 118.499 -2.626 . . . . 0.0 109.236 177.443 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -74.98 -5.03 41.72 Favored 'General case' 0 C--N 1.379 1.857 0 O-C-N 120.03 -1.669 . . . . 0.0 113.351 -169.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.689 ' HB3' ' O ' ' A' ' 16' ' ' ARG . 53.8 t -118.68 3.38 11.7 Favored 'General case' 0 CA--C 1.464 -2.338 0 O-C-N 118.094 -2.879 . . . . 0.0 106.388 175.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.486 ' HA ' ' O ' ' A' ' 15' ' ' ALA . . . -72.98 -9.84 59.16 Favored 'General case' 0 C--N 1.394 2.541 0 N-CA-C 105.424 -2.065 . . . . 0.0 105.424 167.05 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.2 m -43.67 -37.96 2.86 Favored 'General case' 0 N--CA 1.391 -3.388 0 C-N-CA 122.94 0.496 . . . . 0.0 111.382 169.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -164.88 -15.87 0.03 OUTLIER 'General case' 0 C--N 1.416 3.466 0 O-C-N 119.418 -2.051 . . . . 0.0 114.031 -177.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . 0.265 22.7 m120 -126.98 -26.51 3.14 Favored 'General case' 0 CA--C 1.461 -2.455 0 O-C-N 118.768 -2.457 . . . . 0.0 110.901 -174.532 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.816 ' HB1' ' O ' ' A' ' 27' ' ' GLU . . . -165.51 -150.2 0.12 Allowed 'General case' 0 N--CA 1.392 -3.372 0 C-N-CA 116.425 -2.11 . . . . 0.0 113.254 -154.065 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.689 ' O ' ' HB3' ' A' ' 10' ' ' CYS . 59.6 ttt180 -120.68 -130.95 0.29 Allowed 'General case' 0 N--CA 1.394 -3.248 0 N-CA-C 100.375 -3.935 . . . . 0.0 100.375 172.369 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.617 ' HB3' ' HA ' ' A' ' 7' ' ' PRO . . . -161.57 153.16 18.94 Favored 'General case' 0 C--N 1.415 3.452 1 CA-C-N 128.262 5.028 . . . . 0.0 119.016 174.243 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.604 ' HB2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER 179.54 154.53 0.5 Allowed 'General case' 0 C--N 1.412 3.315 0 N-CA-C 104.084 -2.562 . . . . 0.0 104.084 170.635 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.604 ' HB2' ' HB2' ' A' ' 18' ' ' LYS . 36.6 t -169.21 55.59 0.04 OUTLIER 'General case' 0 C--N 1.417 3.531 3 N-CA-C 96.655 -5.313 . . . . 0.0 96.655 -11.865 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.652 ' HB3' ' O ' ' A' ' 23' ' ' LYS . 56.9 t0 -69.41 -159.39 0.03 OUTLIER 'General case' 1 C--N 1.435 4.3 0 C-N-CA 124.725 1.21 . . . . 0.0 110.62 -158.135 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.1 p-10 -66.02 -25.4 67.05 Favored 'General case' 0 C--N 1.419 3.622 0 CA-C-N 123.183 2.719 . . . . 0.0 110.533 -168.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.439 ' OD1' ' HG3' ' A' ' 23' ' ' LYS . 52.8 p-10 -156.01 -6.56 0.12 Allowed 'General case' 0 N--CA 1.413 -2.287 0 O-C-N 120.09 -1.631 . . . . 0.0 110.222 -178.126 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.652 ' O ' ' HB3' ' A' ' 20' ' ' ASP . 0.4 OUTLIER -144.04 159.16 43.08 Favored 'General case' 0 N--CA 1.399 -3.006 0 N-CA-C 104.418 -2.438 . . . . 0.0 104.418 174.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.632 ' HA ' ' H ' ' A' ' 20' ' ' ASP 0.387 35.3 m -110.53 138.66 46.63 Favored 'General case' 0 N--CA 1.395 -3.207 0 CA-C-N 121.743 2.065 . . . . 0.0 111.005 -158.907 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.699 HG22 ' SG ' ' A' ' 26' ' ' CYS . 12.8 p -115.28 -88.05 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.393 2.5 0 C-N-CA 115.673 -2.411 . . . . 0.0 110.486 -167.456 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.699 ' SG ' HG22 ' A' ' 25' ' ' VAL . 73.5 m -133.17 157.15 46.09 Favored 'General case' 0 C--N 1.424 3.826 2 CA-C-N 128.625 5.193 . . . . 0.0 116.484 -162.378 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.816 ' O ' ' HB1' ' A' ' 15' ' ' ALA . 96.8 mt-10 -141.06 168.81 13.02 Favored Pre-proline 1 C--N 1.444 4.713 0 N-CA-C 105.009 -2.219 . . . . 0.0 105.009 171.827 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.5 OUTLIER -79.2 166.58 22.55 Favored 'Trans proline' 0 N--CA 1.415 -3.094 0 CA-C-N 127.073 3.562 . . . . 0.0 108.644 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt . . . . . 0 C--N 1.382 2.01 0 O-C-N 120.603 -1.311 . . . . 0.0 108.393 -174.988 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.482 -1.64 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.481 ' OG1' ' HG2' ' A' ' 4' ' ' GLU . 64.1 p -86.98 172.72 9.8 Favored 'General case' 0 N--CA 1.389 -3.518 0 O-C-N 120.045 -1.659 . . . . 0.0 107.468 -178.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.3 p -78.69 35.8 0.25 Allowed 'General case' 0 N--CA 1.415 -2.218 0 O-C-N 119.66 -1.9 . . . . 0.0 109.491 -178.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.481 ' HG2' ' OG1' ' A' ' 2' ' ' THR . 21.4 pt-20 -99.56 2.51 44.78 Favored 'General case' 0 C--N 1.415 3.423 0 O-C-N 119.346 -2.097 . . . . 0.0 108.619 177.233 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -105.57 3.93 29.82 Favored 'General case' 0 C--N 1.381 1.971 0 N-CA-C 104.191 -2.522 . . . . 0.0 104.191 172.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.483 ' HB3' ' HB2' ' A' ' 24' ' ' CYS 0.252 70.5 m -106.15 -4.76 0.11 Allowed Pre-proline 0 N--CA 1.382 -3.859 0 O-C-N 119.867 -1.771 . . . . 0.0 113.736 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.636 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -86.82 3.76 6.55 Favored 'Trans proline' 1 C--N 1.446 5.699 0 CA-C-N 125.314 2.934 . . . . 0.0 108.217 -155.98 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . 0.252 74.4 tt0 -110.28 -15.69 13.91 Favored 'General case' 0 N--CA 1.395 -3.177 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 178.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -71.36 -7.46 47.34 Favored 'General case' 0 N--CA 1.42 -1.95 0 O-C-N 120.156 -1.59 . . . . 0.0 111.355 -164.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.1 t -113.71 2.28 15.16 Favored 'General case' 0 N--CA 1.411 -2.393 0 O-C-N 118.848 -2.407 . . . . 0.0 107.527 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.91 -18.75 63.41 Favored 'General case' 0 C--N 1.401 2.818 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 170.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.268 89.6 m -40.05 -35.98 0.43 Allowed 'General case' 0 N--CA 1.393 -3.317 0 C-N-CA 123.335 0.654 . . . . 0.0 111.637 171.308 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -131.87 -50.25 0.96 Allowed 'General case' 0 C--N 1.41 3.235 0 O-C-N 119.291 -2.13 . . . . 0.0 109.937 176.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . 0.293 54.2 m-20 -124.03 -21.98 4.94 Favored 'General case' 0 C--N 1.392 2.414 0 O-C-N 118.769 -2.457 . . . . 0.0 112.892 -169.658 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.652 ' HB1' ' O ' ' A' ' 27' ' ' GLU 0.282 . . -140.78 -175.75 4.41 Favored 'General case' 0 N--CA 1.405 -2.695 0 N-CA-C 117.178 2.288 . . . . 0.0 117.178 -140.358 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.571 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 10.2 tpt180 -101.36 -153.23 0.45 Allowed 'General case' 0 C--N 1.39 2.343 1 N-CA-C 99.65 -4.204 . . . . 0.0 99.65 163.698 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.666 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -164.25 152.5 12.76 Favored 'General case' 0 C--N 1.415 3.435 2 CA-C-N 128.777 5.262 . . . . 0.0 117.778 178.718 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.64 ' HD2' ' SG ' ' A' ' 19' ' ' CYS 0.423 2.2 mmmp? -167.58 162.06 14.04 Favored 'General case' 1 C--N 1.444 4.703 0 CA-C-O 114.51 -2.662 . . . . 0.0 105.429 -174.178 . . . . . . . . 4 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.64 ' SG ' ' HD2' ' A' ' 18' ' ' LYS . 73.1 m -160.92 82.79 0.65 Allowed 'General case' 0 C--N 1.427 3.955 4 N-CA-C 92.012 -7.032 . . . . 0.0 92.012 -29.589 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.576 ' H ' ' HA ' ' A' ' 24' ' ' CYS . 59.7 t0 -84.97 -150.79 0.13 Allowed 'General case' 0 C--N 1.384 2.098 0 O-C-N 120.089 -1.632 . . . . 0.0 109.553 -139.374 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.1 p-10 -60.81 -15.61 31.83 Favored 'General case' 0 C--N 1.411 3.245 0 CA-C-N 122.348 2.34 . . . . 0.0 107.201 174.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -164.02 -8.81 0.03 OUTLIER 'General case' 0 N--CA 1.401 -2.916 0 C-N-CA 118.313 -1.355 . . . . 0.0 111.553 162.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.42 ' H ' ' HB3' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -172.14 46.23 0.02 OUTLIER 'General case' 1 C--N 1.46 5.382 1 N-CA-C 124.521 5.008 . . . . 0.0 124.521 -149.32 . . . . . . . . 5 4 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.576 ' HA ' ' H ' ' A' ' 20' ' ' ASP . 63.7 m -143.01 166.88 23.41 Favored 'General case' 1 C--N 1.433 4.215 2 CA-C-N 132.95 7.159 . . . . 0.0 102.25 -9.826 . . . . . . . . 4 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.666 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 15.0 p -122.97 -127.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.42 3.664 1 CA-C-N 126.639 4.29 . . . . 0.0 109.703 -176.461 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.475 ' SG ' HG22 ' A' ' 25' ' ' VAL . 76.9 m -111.7 166.47 11.15 Favored 'General case' 1 C--N 1.439 4.497 1 CA-C-N 126.998 4.453 . . . . 0.0 117.667 -154.765 . . . . . . . . 4 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.652 ' O ' ' HB1' ' A' ' 15' ' ' ALA . 95.9 mt-10 -136.53 174.96 3.89 Favored Pre-proline 1 C--N 1.447 4.81 0 N-CA-C 104.68 -2.341 . . . . 0.0 104.68 166.33 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.499 ' HD2' ' HB3' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -81.07 169.25 16.35 Favored 'Trans proline' 0 C--N 1.403 3.422 0 CA-C-N 126.776 3.456 . . . . 0.0 108.048 172.672 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt . . . . . 0 C--N 1.375 1.69 0 O-C-N 120.693 -1.255 . . . . 0.0 108.865 -175.499 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.491 -1.323 0 CA-C-O 118.046 -0.978 . . . . 0.0 109.0 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.2 t 31.69 50.21 0.14 Allowed 'General case' 1 C--N 1.43 4.066 0 CA-C-N 119.7 1.136 . . . . 0.0 109.867 -176.209 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.475 ' HA ' ' SG ' ' A' ' 6' ' ' CYS . 28.1 p -77.3 24.64 0.18 Allowed 'General case' 0 N--CA 1.398 -3.047 0 O-C-N 118.413 -2.679 . . . . 0.0 109.5 -178.598 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -93.16 -0.81 56.83 Favored 'General case' 0 C--N 1.426 3.913 0 O-C-N 119.737 -1.852 . . . . 0.0 108.116 171.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -111.06 5.34 20.14 Favored 'General case' 0 CA--C 1.457 -2.61 0 N-CA-C 105.639 -1.986 . . . . 0.0 105.639 175.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.499 ' HB3' ' HB2' ' A' ' 24' ' ' CYS 0.295 73.6 m -96.95 -17.63 0.21 Allowed Pre-proline 0 N--CA 1.386 -3.643 0 CA-C-O 117.005 -1.474 . . . . 0.0 114.012 173.822 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.596 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -81.52 -6.71 12.7 Favored 'Trans proline' 2 N--CA 1.381 -5.134 0 CA-C-N 125.442 2.979 . . . . 0.0 108.076 -158.045 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -97.32 -3.36 40.62 Favored 'General case' 0 N--CA 1.4 -2.97 0 O-C-N 119.272 -2.143 . . . . 0.0 107.862 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -83.32 -22.31 32.95 Favored 'General case' 0 N--CA 1.41 -2.46 0 O-C-N 120.108 -1.62 . . . . 0.0 109.891 -164.027 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.588 ' HB3' ' O ' ' A' ' 16' ' ' ARG . 49.5 t -94.1 8.43 41.59 Favored 'General case' 0 C--N 1.38 1.91 0 O-C-N 118.909 -2.369 . . . . 0.0 107.513 178.206 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.69 -16.54 62.8 Favored 'General case' 0 C--N 1.388 2.281 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 172.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.4 m -61.51 -40.13 93.51 Favored 'General case' 0 N--CA 1.389 -3.486 0 O-C-N 121.556 -0.715 . . . . 0.0 110.51 178.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -111.95 -57.62 2.24 Favored 'General case' 0 C--N 1.394 2.502 0 O-C-N 119.904 -1.747 . . . . 0.0 108.666 -176.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -104.29 -66.84 0.93 Allowed 'General case' 0 N--CA 1.408 -2.53 0 O-C-N 119.437 -2.039 . . . . 0.0 108.373 -174.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 27' ' ' GLU . . . -166.23 -61.08 0.03 OUTLIER 'General case' 0 N--CA 1.408 -2.555 0 CA-C-N 122.881 2.582 . . . . 0.0 113.528 -167.261 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.602 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 36.0 ttt180 -153.41 -160.63 1.14 Allowed 'General case' 0 C--N 1.386 2.156 0 CA-C-N 123.062 2.665 . . . . 0.0 106.163 -178.406 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.596 ' HB3' ' HA ' ' A' ' 7' ' ' PRO . . . -162.94 173.53 13.53 Favored 'General case' 0 C--N 1.423 3.775 1 CA-C-N 127.813 4.824 . . . . 0.0 117.895 -176.832 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 25' ' ' VAL 0.364 3.9 mmmp? -178.59 144.76 0.29 Allowed 'General case' 0 C--N 1.426 3.904 0 N-CA-C 102.065 -3.309 . . . . 0.0 102.065 -168.645 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.0 t 168.22 49.27 0.0 OUTLIER 'General case' 0 C--N 1.408 3.147 3 CA-C-N 130.618 6.099 . . . . 0.0 94.544 -7.147 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.909 ' HB3' ' O ' ' A' ' 23' ' ' LYS . 46.5 t0 -81.18 -155.55 0.12 Allowed 'General case' 0 C--N 1.408 3.144 0 CA-C-O 117.088 -1.434 . . . . 0.0 107.965 -151.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.427 ' OD1' ' NZ ' ' A' ' 23' ' ' LYS . 24.4 p-10 -54.37 -27.61 37.51 Favored 'General case' 0 C--N 1.426 3.923 0 CA-C-N 123.281 2.764 . . . . 0.0 109.351 -172.008 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -160.95 -15.74 0.05 OUTLIER 'General case' 0 N--CA 1.418 -2.068 0 O-C-N 120.972 -1.08 . . . . 0.0 108.093 163.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.909 ' O ' ' HB3' ' A' ' 20' ' ' ASP . 1.0 OUTLIER -125.16 132.12 53.12 Favored 'General case' 0 C--N 1.386 2.155 0 O-C-N 119.503 -1.998 . . . . 0.0 106.232 -170.219 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.499 ' HB2' ' HB3' ' A' ' 6' ' ' CYS 0.384 30.6 m -107.33 150.99 26.08 Favored 'General case' 0 N--CA 1.426 -1.672 0 O-C-N 119.541 -1.974 . . . . 0.0 114.784 -150.565 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.474 HG22 ' N ' ' A' ' 26' ' ' CYS . 14.7 p -144.05 -155.63 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.424 3.832 0 CA-C-N 121.371 1.896 . . . . 0.0 109.947 179.589 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.516 ' HA ' ' O ' ' A' ' 16' ' ' ARG . 39.1 m -69.62 158.04 36.06 Favored 'General case' 0 C--N 1.396 2.605 0 N-CA-C 120.973 3.694 . . . . 0.0 120.973 -136.287 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.613 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 97.0 mt-10 -131.67 168.3 18.12 Favored Pre-proline 1 C--N 1.436 4.336 0 N-CA-C 102.953 -2.98 . . . . 0.0 102.953 161.842 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -85.06 161.82 11.64 Favored 'Trans proline' 1 C--N 1.424 4.529 0 CA-C-N 124.731 2.725 . . . . 0.0 109.262 177.71 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.463 ' N ' ' HB1' ' A' ' 15' ' ' ALA . 16.3 ptmt . . . . . 0 C--N 1.391 2.413 0 O-C-N 120.829 -1.169 . . . . 0.0 109.21 -173.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.482 -1.672 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.5 p 50.82 -169.3 0.03 OUTLIER 'General case' 0 C--N 1.409 3.174 0 CA-C-N 118.876 0.762 . . . . 0.0 111.728 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.7 p -81.0 75.51 7.98 Favored 'General case' 0 N--CA 1.385 -3.694 0 N-CA-C 103.989 -2.597 . . . . 0.0 103.989 168.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -102.44 -35.3 8.83 Favored 'General case' 0 C--N 1.409 3.188 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 168.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -78.21 -60.46 2.36 Favored 'General case' 0 CA--C 1.462 -2.412 0 O-C-N 119.216 -2.177 . . . . 0.0 105.978 -178.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 8' ' ' GLU . 86.3 m -32.95 -42.38 0.31 Allowed Pre-proline 0 C--N 1.405 2.981 0 CA-C-O 114.555 -2.64 . . . . 0.0 114.601 -178.497 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.653 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -26.8 -16.49 0.0 OUTLIER 'Trans proline' 1 C--N 1.449 5.851 0 C-N-CA 124.197 3.265 . . . . 0.0 117.322 158.207 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 6' ' ' CYS 0.35 78.6 tt0 -115.82 -35.29 4.52 Favored 'General case' 0 N--CA 1.382 -3.837 0 O-C-N 119.99 -1.694 . . . . 0.0 108.918 177.501 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.417 ' N ' ' O ' ' A' ' 6' ' ' CYS . 59.9 t60 -68.0 -7.25 27.41 Favored 'General case' 0 C--N 1.392 2.444 0 O-C-N 120.106 -1.622 . . . . 0.0 112.748 -165.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 52.0 t -110.37 -2.1 16.82 Favored 'General case' 0 C--N 1.385 2.128 0 O-C-N 118.467 -2.646 . . . . 0.0 108.091 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.496 ' HA ' ' O ' ' A' ' 15' ' ' ALA . . . -72.01 -14.41 61.88 Favored 'General case' 0 C--N 1.388 2.246 0 N-CA-C 106.078 -1.823 . . . . 0.0 106.078 170.294 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.269 87.1 m -49.95 -33.94 19.21 Favored 'General case' 0 N--CA 1.393 -3.32 0 C-N-CA 122.727 0.411 . . . . 0.0 111.547 173.316 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . 0.333 32.8 mm-40 -126.99 -55.28 1.38 Allowed 'General case' 0 C--N 1.4 2.771 0 O-C-N 119.946 -1.721 . . . . 0.0 109.572 -177.325 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . 0.321 36.7 t30 -124.53 -35.52 2.74 Favored 'General case' 0 N--CA 1.416 -2.172 0 O-C-N 120.038 -1.664 . . . . 0.0 110.604 -160.049 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.895 ' HB1' ' O ' ' A' ' 27' ' ' GLU . . . -141.99 -154.43 0.52 Allowed 'General case' 0 N--CA 1.384 -3.736 0 C-N-CA 116.994 -1.882 . . . . 0.0 114.066 -147.088 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.554 HH11 ' HG3' ' A' ' 16' ' ' ARG . 12.0 ttt85 -118.11 -144.23 0.37 Allowed 'General case' 0 N--CA 1.393 -3.323 1 N-CA-C 97.832 -4.877 . . . . 0.0 97.832 168.208 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.813 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -163.21 158.73 22.0 Favored 'General case' 0 C--N 1.414 3.413 1 CA-C-N 129.387 5.54 . . . . 0.0 121.657 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.53 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 27.3 mmtp -121.77 -144.43 0.34 Allowed 'General case' 1 C--N 1.435 4.304 0 C-N-CA 125.126 1.37 . . . . 0.0 110.833 -171.345 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.53 ' H ' ' HB3' ' A' ' 18' ' ' LYS 0.335 45.3 m -129.31 135.76 49.16 Favored 'General case' 2 C--N 1.443 4.666 0 N-CA-C 104.193 -2.521 . . . . 0.0 104.193 -168.34 . . . . . . . . 4 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.477 ' N ' ' HA ' ' A' ' 24' ' ' CYS . 68.3 t0 -104.47 -146.73 0.38 Allowed 'General case' 0 C--N 1.406 3.058 0 CA-C-N 123.587 2.903 . . . . 0.0 104.71 -168.053 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -70.41 -41.59 72.77 Favored 'General case' 0 C--N 1.401 2.805 0 CA-C-N 125.131 3.605 . . . . 0.0 106.17 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . 0.264 50.6 m-20 -143.35 -28.73 0.54 Allowed 'General case' 0 C--N 1.387 2.226 0 O-C-N 120.353 -1.467 . . . . 0.0 107.122 176.057 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.479 ' O ' ' HD3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -113.6 84.55 2.04 Favored 'General case' 0 C--N 1.382 1.985 0 CA-C-O 124.416 2.055 . . . . 0.0 105.98 -169.532 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.477 ' HA ' ' N ' ' A' ' 20' ' ' ASP 0.288 7.2 p -41.39 157.65 0.02 OUTLIER 'General case' 0 N--CA 1.433 -1.295 0 N-CA-C 119.714 3.228 . . . . 0.0 119.714 -170.021 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.813 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 14.9 p -154.05 -127.32 0.01 OUTLIER 'Isoleucine or valine' 1 C--N 1.476 6.088 0 CA-C-O 114.398 -2.715 . . . . 0.0 109.541 -165.464 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.536 ' SG ' HG22 ' A' ' 25' ' ' VAL 0.263 64.1 m -107.16 156.75 18.48 Favored 'General case' 1 C--N 1.49 6.697 1 CA-C-N 127.743 4.792 . . . . 0.0 120.438 -151.872 . . . . . . . . 5 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.895 ' O ' ' HB1' ' A' ' 15' ' ' ALA 0.284 96.4 mt-10 -133.39 179.46 1.37 Allowed Pre-proline 1 C--N 1.48 6.272 0 N-CA-C 104.869 -2.271 . . . . 0.0 104.869 169.331 . . . . . . . . 4 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.553 ' HD2' ' HB3' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -84.76 163.36 12.15 Favored 'Trans proline' 1 C--N 1.421 4.378 0 CA-C-N 127.265 3.63 . . . . 0.0 109.04 170.83 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.431 ' HA ' ' HB2' ' A' ' 16' ' ' ARG . 17.4 ptmt . . . . . 0 C--N 1.389 2.291 0 O-C-N 120.655 -1.278 . . . . 0.0 109.064 -177.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.475 -1.915 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.5 p 45.3 45.02 9.62 Favored 'General case' 0 C--N 1.412 3.298 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 -173.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.0 p -76.26 26.9 0.12 Allowed 'General case' 0 N--CA 1.398 -3.072 0 O-C-N 120.024 -1.673 . . . . 0.0 108.656 177.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.625 ' C ' ' HD3' ' A' ' 7' ' ' PRO . 17.0 pt-20 -83.15 8.54 12.84 Favored 'General case' 0 C--N 1.411 3.268 0 O-C-N 120.179 -1.575 . . . . 0.0 109.415 160.573 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.755 ' N ' ' HB2' ' A' ' 6' ' ' CYS . 13.0 t70 -107.09 -12.2 15.46 Favored 'General case' 0 C--N 1.402 2.886 0 N-CA-C 119.672 3.212 . . . . 0.0 119.672 -163.418 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.755 ' HB2' ' N ' ' A' ' 5' ' ' ASP . 83.4 m 104.88 -42.63 0.0 OUTLIER Pre-proline 1 C--N 1.482 6.345 3 CA-C-N 133.309 7.322 . . . . 0.0 110.85 -3.091 . . . . . . . . 4 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.625 ' HD3' ' C ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -97.94 -5.13 1.02 Allowed 'Trans proline' 2 C--N 1.447 5.751 0 CA-C-N 126.458 3.342 . . . . 0.0 108.08 -168.121 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -107.37 -12.78 15.25 Favored 'General case' 0 N--CA 1.382 -3.86 0 N-CA-C 104.601 -2.37 . . . . 0.0 104.601 -178.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -76.14 -1.3 25.48 Favored 'General case' 0 N--CA 1.406 -2.627 0 O-C-N 120.628 -1.295 . . . . 0.0 111.847 -168.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.766 ' HB2' HG23 ' A' ' 25' ' ' VAL . 42.2 t -111.01 -5.88 14.75 Favored 'General case' 0 C--N 1.382 2.009 0 O-C-N 118.632 -2.543 . . . . 0.0 107.032 177.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.57 -20.15 63.67 Favored 'General case' 0 C--N 1.402 2.868 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 172.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.296 88.5 m -42.19 -36.51 1.22 Allowed 'General case' 0 N--CA 1.399 -2.99 0 C-N-CA 123.298 0.639 . . . . 0.0 111.926 171.267 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . 0.294 0.8 OUTLIER -122.92 -62.08 1.38 Allowed 'General case' 0 C--N 1.397 2.639 0 O-C-N 120.064 -1.648 . . . . 0.0 107.903 -179.692 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.5 p-10 -140.65 0.9 1.68 Allowed 'General case' 0 C--N 1.389 2.326 0 O-C-N 119.7 -1.875 . . . . 0.0 113.985 -163.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.769 ' HB1' ' O ' ' A' ' 27' ' ' GLU . . . -150.13 -146.66 0.2 Allowed 'General case' 0 N--CA 1.415 -2.223 0 CA-C-N 122.515 2.416 . . . . 0.0 114.645 -166.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.556 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 20.8 tpt180 -127.94 -156.32 0.75 Allowed 'General case' 0 C--N 1.386 2.183 1 N-CA-C 95.834 -5.617 . . . . 0.0 95.834 175.471 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.603 ' HB1' ' HA ' ' A' ' 25' ' ' VAL . . . -158.87 -179.1 7.75 Favored 'General case' 0 C--N 1.406 3.033 1 CA-C-N 129.611 5.641 . . . . 0.0 119.312 173.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.469 ' HG2' ' HG3' ' A' ' 27' ' ' GLU . 3.7 mmmp? -144.34 -105.7 0.11 Allowed 'General case' 1 C--N 1.429 4.049 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -174.794 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . 0.362 6.1 t -158.17 115.93 2.98 Favored 'General case' 0 N--CA 1.39 -3.453 0 O-C-N 119.204 -2.185 . . . . 0.0 105.449 -149.171 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.675 ' HB2' HG12 ' A' ' 25' ' ' VAL . 63.1 t0 -98.99 -148.68 0.34 Allowed 'General case' 0 C--N 1.391 2.373 0 CA-C-O 115.894 -2.003 . . . . 0.0 106.588 -159.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -54.0 -33.77 58.04 Favored 'General case' 1 C--N 1.432 4.174 0 CA-C-N 124.509 3.322 . . . . 0.0 105.883 176.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -158.53 7.96 0.13 Allowed 'General case' 0 C--N 1.391 2.399 0 O-C-N 121.15 -0.969 . . . . 0.0 108.442 163.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.623 ' H ' ' HB3' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -162.07 64.01 0.23 Allowed 'General case' 1 C--N 1.437 4.41 0 N-CA-C 120.775 3.62 . . . . 0.0 120.775 -154.053 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.492 ' HB3' ' HB3' ' A' ' 6' ' ' CYS 0.448 71.9 m -154.1 131.66 11.38 Favored 'General case' 1 C--N 1.443 4.66 2 CA-C-N 131.057 6.299 . . . . 0.0 103.585 -11.834 . . . . . . . . 5 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.766 HG23 ' HB2' ' A' ' 10' ' ' CYS . 10.6 p -175.25 158.3 0.32 Allowed 'Isoleucine or valine' 1 C--N 1.434 4.267 0 CA-C-N 125.853 3.933 . . . . 0.0 107.307 -174.755 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.637 ' SG ' HG22 ' A' ' 25' ' ' VAL 0.361 65.0 m -132.6 167.1 20.64 Favored 'General case' 1 C--N 1.525 8.236 2 CA-C-N 132.792 7.087 . . . . 0.0 107.192 -10.085 . . . . . . . . 5 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.769 ' O ' ' HB1' ' A' ' 15' ' ' ALA 0.285 91.7 mt-10 -136.02 167.19 23.02 Favored Pre-proline 1 C--N 1.446 4.78 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 164.659 . . . . . . . . 4 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER -85.01 175.19 6.78 Favored 'Trans proline' 0 N--CA 1.409 -3.453 0 CA-C-N 125.473 2.99 . . . . 0.0 107.351 168.51 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? . . . . . 0 C--N 1.388 2.267 0 O-C-N 119.794 -1.816 . . . . 0.0 107.9 177.17 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 82.3 p . . . . . 0 N--CA 1.432 -1.333 0 N-CA-C 111.131 0.048 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.554 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 27.4 p -75.76 9.59 2.24 Favored 'General case' 0 N--CA 1.414 -2.27 0 O-C-N 119.559 -1.963 . . . . 0.0 107.603 171.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -68.59 -10.39 55.6 Favored 'General case' 0 C--N 1.418 3.579 0 O-C-N 120.696 -1.253 . . . . 0.0 109.81 164.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -95.13 1.47 54.87 Favored 'General case' 0 C--N 1.379 1.861 0 O-C-N 117.905 -2.997 . . . . 0.0 106.611 176.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.428 ' HB3' ' HB2' ' A' ' 24' ' ' CYS 0.318 78.5 m -103.13 -13.74 0.16 Allowed Pre-proline 0 N--CA 1.405 -2.699 0 O-C-N 119.214 -2.179 . . . . 0.0 115.182 -177.556 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.668 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 0.4 OUTLIER -81.32 -3.96 12.27 Favored 'Trans proline' 2 C--N 1.428 4.758 0 CA-C-N 125.387 2.96 . . . . 0.0 108.358 -155.524 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -98.5 -10.67 23.2 Favored 'General case' 0 N--CA 1.392 -3.331 0 O-C-N 120.251 -1.53 . . . . 0.0 108.224 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.469 ' ND1' ' O ' ' A' ' 9' ' ' HIS . 13.2 t-80 -86.18 -14.71 43.2 Favored 'General case' 0 N--CA 1.411 -2.379 0 O-C-N 119.743 -1.848 . . . . 0.0 111.258 -163.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.484 ' SG ' ' HB3' ' A' ' 15' ' ' ALA . 54.0 t -95.93 2.11 53.32 Favored 'General case' 0 C--N 1.376 1.738 0 O-C-N 118.167 -2.833 . . . . 0.0 106.399 174.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.484 ' HA ' ' O ' ' A' ' 15' ' ' ALA . . . -75.08 -15.31 60.62 Favored 'General case' 0 CA--C 1.463 -2.399 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 173.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.9 m -53.83 -31.11 48.09 Favored 'General case' 0 N--CA 1.389 -3.519 0 O-C-N 121.995 -0.44 . . . . 0.0 110.51 176.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 -117.01 -65.87 1.14 Allowed 'General case' 0 C--N 1.401 2.838 0 O-C-N 119.61 -1.931 . . . . 0.0 109.101 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . 0.312 42.7 m-20 -125.06 -18.83 5.35 Favored 'General case' 0 CA--C 1.47 -2.106 0 O-C-N 118.922 -2.361 . . . . 0.0 111.314 -169.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.737 ' HB1' ' O ' ' A' ' 27' ' ' GLU . . . -139.57 -148.61 0.26 Allowed 'General case' 0 N--CA 1.391 -3.393 0 C-N-CA 117.371 -1.732 . . . . 0.0 113.811 -141.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.423 ' H ' ' H ' ' A' ' 27' ' ' GLU . 43.3 ttt180 -136.25 -156.48 0.71 Allowed 'General case' 0 N--CA 1.393 -3.284 0 N-CA-C 100.408 -3.923 . . . . 0.0 100.408 169.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.668 ' HB3' ' HA ' ' A' ' 7' ' ' PRO . . . -160.32 166.26 29.78 Favored 'General case' 0 C--N 1.405 2.998 1 CA-C-N 128.815 5.279 . . . . 0.0 118.598 -178.617 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 17' ' ' ALA 0.317 2.6 mmmp? -177.19 146.0 0.48 Allowed 'General case' 0 C--N 1.427 3.942 0 N-CA-C 101.835 -3.394 . . . . 0.0 101.835 -171.524 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.2 t 178.29 57.2 0.01 OUTLIER 'General case' 0 C--N 1.423 3.771 3 CA-C-N 129.425 5.557 . . . . 0.0 96.716 -7.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.853 ' HB3' ' O ' ' A' ' 23' ' ' LYS . 56.3 t0 -73.34 -148.17 0.02 OUTLIER 'General case' 0 C--N 1.417 3.529 0 CA-C-O 117.493 -1.241 . . . . 0.0 109.31 -157.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.519 ' OD1' ' HE3' ' A' ' 23' ' ' LYS . 26.9 p-10 -61.37 -30.12 70.33 Favored 'General case' 0 C--N 1.428 3.982 0 CA-C-N 124.011 3.096 . . . . 0.0 107.531 -172.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' A' ' 21' ' ' ASN . 46.5 t0 -173.56 25.73 0.01 OUTLIER 'General case' 0 C--N 1.401 2.809 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 161.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.853 ' O ' ' HB3' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -153.77 124.6 7.25 Favored 'General case' 0 C--N 1.394 2.509 0 N-CA-C 104.076 -2.565 . . . . 0.0 104.076 -179.443 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.554 ' SG ' ' HB2' ' A' ' 3' ' ' CYS . 16.7 m -112.72 173.18 6.5 Favored 'General case' 0 C--N 1.39 2.339 0 O-C-N 118.861 -2.4 . . . . 0.0 116.66 -143.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.454 HG22 ' H ' ' A' ' 26' ' ' CYS . 15.0 p -150.28 -153.42 0.03 OUTLIER 'Isoleucine or valine' 1 C--N 1.431 4.122 0 O-C-N 120.235 -1.541 . . . . 0.0 109.085 -175.904 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.454 ' H ' HG22 ' A' ' 25' ' ' VAL . 58.8 m -85.09 160.54 19.96 Favored 'General case' 0 C--N 1.388 2.281 0 CA-C-N 125.842 3.928 . . . . 0.0 120.052 -140.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.737 ' O ' ' HB1' ' A' ' 15' ' ' ALA . 96.2 mt-10 -133.44 165.64 35.2 Favored Pre-proline 1 C--N 1.437 4.382 0 N-CA-C 103.954 -2.61 . . . . 0.0 103.954 163.738 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -81.0 167.74 17.85 Favored 'Trans proline' 0 C--N 1.4 3.254 0 CA-C-N 126.552 3.376 . . . . 0.0 109.002 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt . . . . . 0 C--N 1.38 1.923 0 O-C-N 120.705 -1.247 . . . . 0.0 108.808 -173.766 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.4 t . . . . . 0 N--CA 1.406 -2.651 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.445 ' HA ' ' SG ' ' A' ' 6' ' ' CYS 0.257 26.0 p -88.99 38.14 0.87 Allowed 'General case' 0 N--CA 1.408 -2.552 0 O-C-N 119.522 -1.986 . . . . 0.0 108.64 -176.772 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -103.91 -1.01 28.33 Favored 'General case' 0 C--N 1.423 3.783 0 O-C-N 120.156 -1.59 . . . . 0.0 107.833 167.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -100.77 -17.14 17.07 Favored 'General case' 0 CA--C 1.469 -2.161 0 N-CA-C 104.856 -2.275 . . . . 0.0 104.856 175.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.457 ' HB3' ' HB2' ' A' ' 24' ' ' CYS 0.332 60.7 m -91.44 -17.39 0.22 Allowed Pre-proline 1 N--CA 1.374 -4.266 0 N-CA-C 115.942 1.831 . . . . 0.0 115.942 -173.058 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.835 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 0.4 OUTLIER -79.96 -4.3 13.24 Favored 'Trans proline' 2 C--N 1.438 5.28 0 CA-C-N 124.559 2.664 . . . . 0.0 107.882 -162.011 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -91.25 -12.07 36.3 Favored 'General case' 0 N--CA 1.392 -3.357 0 O-C-N 120.257 -1.527 . . . . 0.0 107.836 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.05 -49.1 10.6 Favored 'General case' 0 N--CA 1.416 -2.134 0 O-C-N 120.464 -1.397 . . . . 0.0 110.488 -166.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.402 ' HB3' ' HB2' ' A' ' 17' ' ' ALA . 47.1 t -85.11 2.19 44.54 Favored 'General case' 0 CA--C 1.477 -1.84 0 O-C-N 118.942 -2.348 . . . . 0.0 106.757 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.47 ' HA ' ' O ' ' A' ' 15' ' ' ALA . . . -74.46 -18.75 60.59 Favored 'General case' 0 N--CA 1.393 -3.308 0 O-C-N 120.426 -1.421 . . . . 0.0 107.845 175.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.2 m -59.45 -44.8 92.88 Favored 'General case' 0 N--CA 1.397 -3.12 0 O-C-N 121.51 -0.744 . . . . 0.0 111.465 -174.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -109.98 -38.7 5.26 Favored 'General case' 0 CA--C 1.462 -2.411 0 O-C-N 119.285 -2.134 . . . . 0.0 110.329 -170.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.444 ' OD1' ' HB2' ' A' ' 15' ' ' ALA . 24.3 t-20 -121.09 -32.85 3.84 Favored 'General case' 0 N--CA 1.407 -2.594 0 O-C-N 119.066 -2.271 . . . . 0.0 112.046 -168.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.584 ' HB1' ' O ' ' A' ' 27' ' ' GLU . . . -156.11 -135.25 0.04 OUTLIER 'General case' 0 N--CA 1.412 -2.363 0 O-C-N 118.898 -2.376 . . . . 0.0 113.85 -156.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.521 ' HB3' ' HG3' ' A' ' 27' ' ' GLU . 9.9 tpt180 -110.55 -135.45 0.36 Allowed 'General case' 0 C--N 1.406 3.028 1 N-CA-C 99.085 -4.413 . . . . 0.0 99.085 166.158 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.835 ' HB3' ' HA ' ' A' ' 7' ' ' PRO . . . -169.77 154.59 5.43 Favored 'General case' 1 C--N 1.442 4.588 1 CA-C-N 127.378 4.626 . . . . 0.0 116.374 167.065 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 25' ' ' VAL 0.356 29.3 mmmt -165.55 -175.94 3.74 Favored 'General case' 1 C--N 1.463 5.537 0 CA-C-O 115.543 -2.17 . . . . 0.0 108.491 -172.869 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.452 ' SG ' ' HE3' ' A' ' 18' ' ' LYS . 83.6 m -128.52 87.96 2.67 Favored 'General case' 0 C--N 1.417 3.511 1 N-CA-C 96.838 -5.245 . . . . 0.0 96.838 -78.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.505 ' H ' ' HA ' ' A' ' 24' ' ' CYS . 42.7 t0 -91.76 173.76 7.7 Favored 'General case' 0 C--N 1.399 2.722 0 O-C-N 120.317 -1.49 . . . . 0.0 109.429 -157.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -50.42 -28.28 7.92 Favored 'General case' 1 C--N 1.437 4.376 0 CA-C-N 121.752 2.069 . . . . 0.0 110.795 -168.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -145.79 -1.23 0.79 Allowed 'General case' 0 N--CA 1.401 -2.876 0 O-C-N 120.637 -1.289 . . . . 0.0 108.078 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.263 0.0 OUTLIER -127.11 -152.99 0.54 Allowed 'General case' 0 CA--C 1.461 -2.45 0 O-C-N 119.405 -2.06 . . . . 0.0 106.722 -177.749 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.505 ' HA ' ' H ' ' A' ' 20' ' ' ASP 0.348 55.9 m -133.92 115.08 13.99 Favored 'General case' 1 N--CA 1.378 -4.043 0 N-CA-C 104.935 -2.246 . . . . 0.0 104.935 159.425 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.685 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 10.6 p -99.25 -91.73 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.389 2.287 0 CA-C-N 122.694 2.497 . . . . 0.0 107.951 -172.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.617 ' H ' HG13 ' A' ' 25' ' ' VAL . 82.3 m -132.18 154.35 49.64 Favored 'General case' 0 C--N 1.417 3.535 1 CA-C-N 127.515 4.689 . . . . 0.0 113.873 -166.472 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.584 ' O ' ' HB1' ' A' ' 15' ' ' ALA . 23.2 pt-20 -142.51 168.24 13.98 Favored Pre-proline 0 C--N 1.417 3.54 0 N-CA-C 101.834 -3.395 . . . . 0.0 101.834 162.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.471 ' HA ' ' HB1' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -80.11 166.22 20.93 Favored 'Trans proline' 0 C--N 1.411 3.825 0 CA-C-N 127.447 3.695 . . . . 0.0 110.127 -171.621 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt . . . . . 0 C--N 1.386 2.179 0 O-C-N 121.128 -0.982 . . . . 0.0 109.241 -174.062 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 2' ' ' THR . 71.5 m . . . . . 0 N--CA 1.422 -1.874 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.541 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 25.7 p -78.72 22.58 0.36 Allowed 'General case' 0 N--CA 1.41 -2.434 0 O-C-N 118.74 -2.475 . . . . 0.0 109.38 -173.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -84.58 16.63 3.08 Favored 'General case' 0 C--N 1.399 2.736 0 O-C-N 120.272 -1.518 . . . . 0.0 109.64 163.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.724 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 41.4 t0 -98.2 -37.47 9.68 Favored 'General case' 0 C--N 1.389 2.303 0 O-C-N 118.282 -2.761 . . . . 0.0 117.634 -168.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.724 ' SG ' ' HB3' ' A' ' 5' ' ' ASP 0.255 86.9 m 111.54 -81.71 0.0 OUTLIER Pre-proline 1 C--N 1.478 6.174 3 CA-C-N 133.194 7.27 . . . . 0.0 102.376 13.187 . . . . . . . . 5 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.598 ' HA ' ' N ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -38.7 -50.29 2.48 Favored 'Trans proline' 1 C--N 1.467 6.812 0 CA-C-N 126.497 3.356 . . . . 0.0 114.653 169.127 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -77.29 -16.68 58.86 Favored 'General case' 1 N--CA 1.378 -4.054 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -169.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -81.45 -11.4 59.24 Favored 'General case' 0 N--CA 1.407 -2.578 0 O-C-N 119.857 -1.777 . . . . 0.0 110.717 -174.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 16' ' ' ARG . 41.8 t -106.09 -5.84 19.12 Favored 'General case' 0 N--CA 1.415 -2.205 0 O-C-N 118.757 -2.465 . . . . 0.0 105.866 178.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' A' ' 15' ' ' ALA . . . -75.99 -5.49 46.58 Favored 'General case' 0 C--N 1.406 3.027 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 171.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.8 m -49.56 -32.56 12.83 Favored 'General case' 0 N--CA 1.393 -3.319 0 O-C-N 121.833 -0.542 . . . . 0.0 110.316 170.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' A' ' 14' ' ' ASN . 15.3 pt20 -146.09 -49.59 0.22 Allowed 'General case' 0 C--N 1.401 2.847 0 O-C-N 119.691 -1.881 . . . . 0.0 111.771 -175.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.457 ' N ' ' HG3' ' A' ' 13' ' ' GLN 0.269 54.1 m-20 -113.41 -34.03 5.73 Favored 'General case' 0 C--N 1.394 2.532 0 O-C-N 118.108 -2.87 . . . . 0.0 109.93 -173.75 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.773 ' HB1' ' O ' ' A' ' 27' ' ' GLU . . . -143.73 -140.67 0.12 Allowed 'General case' 0 N--CA 1.411 -2.412 0 C-N-CA 117.439 -1.704 . . . . 0.0 114.42 -148.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.646 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 9.6 ttt85 -143.0 -150.16 0.3 Allowed 'General case' 0 C--N 1.397 2.65 1 N-CA-C 99.27 -4.345 . . . . 0.0 99.27 179.415 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.598 ' N ' ' HA ' ' A' ' 7' ' ' PRO 0.251 . . -160.68 -179.95 8.04 Favored 'General case' 1 C--N 1.433 4.218 2 CA-C-N 130.621 6.101 . . . . 0.0 121.691 177.628 . . . . . . . . 5 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.655 ' HD3' ' HG2' ' A' ' 27' ' ' GLU . 31.4 mmmt -137.71 -126.64 0.13 Allowed 'General case' 1 C--N 1.44 4.511 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 -166.651 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . 0.32 35.4 m -148.38 109.2 4.24 Favored 'General case' 1 C--N 1.438 4.441 0 O-C-N 119.395 -2.066 . . . . 0.0 108.422 -169.111 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.71 ' HB3' ' O ' ' A' ' 23' ' ' LYS . 12.9 t0 -84.09 172.65 11.78 Favored 'General case' 0 C--N 1.403 2.933 0 O-C-N 118.496 -2.628 . . . . 0.0 104.045 170.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.526 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 47.5 t-20 -26.79 -46.87 0.03 OUTLIER 'General case' 0 C--N 1.427 3.968 0 CA-C-N 121.002 1.728 . . . . 0.0 111.178 -178.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -132.19 -39.45 1.05 Allowed 'General case' 0 N--CA 1.416 -2.129 0 O-C-N 119.732 -1.855 . . . . 0.0 109.935 172.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.71 ' O ' ' HB3' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -107.77 160.69 15.53 Favored 'General case' 0 C--N 1.381 1.937 0 O-C-N 119.494 -2.004 . . . . 0.0 106.697 -167.7 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.423 ' HB3' ' HB3' ' A' ' 6' ' ' CYS 0.453 19.3 m -115.65 154.5 29.38 Favored 'General case' 0 N--CA 1.423 -1.776 0 CA-C-N 123.592 2.906 . . . . 0.0 116.003 -151.287 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . 0.262 7.3 p 175.99 148.15 0.05 OUTLIER 'Isoleucine or valine' 1 C--N 1.443 4.671 0 CA-C-O 113.363 -3.208 . . . . 0.0 106.672 -174.818 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.303 52.7 m -136.17 159.96 40.14 Favored 'General case' 1 C--N 1.502 7.223 2 CA-C-N 131.586 6.539 . . . . 0.0 105.143 -18.103 . . . . . . . . 4 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.773 ' O ' ' HB1' ' A' ' 15' ' ' ALA 0.277 89.6 mt-10 -130.33 163.6 46.85 Favored Pre-proline 1 C--N 1.428 4.014 0 CA-C-N 122.04 2.2 . . . . 0.0 106.468 174.552 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.7 OUTLIER -77.3 160.01 32.77 Favored 'Trans proline' 1 N--CA 1.394 -4.335 0 CA-C-N 124.033 2.476 . . . . 0.0 107.104 173.321 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt . . . . . 0 N--CA 1.425 -1.695 0 O-C-N 121.1 -1.0 . . . . 0.0 108.851 -175.217 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.6 p . . . . . 0 N--CA 1.399 -2.991 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.262 26.9 p -84.85 35.0 0.55 Allowed 'General case' 0 N--CA 1.406 -2.646 0 O-C-N 119.704 -1.873 . . . . 0.0 109.258 178.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.524 ' C ' ' HD3' ' A' ' 7' ' ' PRO . 39.0 tp10 -89.64 -1.36 58.0 Favored 'General case' 0 C--N 1.408 3.139 0 C-N-CA 125.607 1.563 . . . . 0.0 107.298 156.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.576 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 39.7 t0 -92.34 -35.23 13.84 Favored 'General case' 0 C--N 1.39 2.346 0 O-C-N 117.13 -3.481 . . . . 0.0 118.401 -162.032 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.576 ' SG ' ' HB3' ' A' ' 5' ' ' ASP 0.259 96.0 m 115.04 -58.75 0.0 OUTLIER Pre-proline 1 C--N 1.483 6.387 3 CA-C-N 133.211 7.278 . . . . 0.0 107.863 6.116 . . . . . . . . 5 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.697 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -88.72 -13.26 3.33 Favored 'Trans proline' 1 C--N 1.424 4.517 0 CA-C-N 125.446 2.981 . . . . 0.0 108.816 -159.312 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -98.3 -9.56 25.27 Favored 'General case' 0 N--CA 1.4 -2.936 0 O-C-N 119.689 -1.882 . . . . 0.0 106.634 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.49 ' ND1' ' O ' ' A' ' 9' ' ' HIS . 52.7 t-80 -79.65 -1.38 37.93 Favored 'General case' 0 N--CA 1.406 -2.673 0 O-C-N 120.497 -1.377 . . . . 0.0 110.699 -161.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 15' ' ' ALA . 42.1 t -113.3 -3.45 13.83 Favored 'General case' 0 N--CA 1.401 -2.911 0 O-C-N 118.872 -2.392 . . . . 0.0 106.972 175.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.96 -22.41 64.12 Favored 'General case' 0 C--N 1.409 3.173 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 171.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.314 91.3 m -37.88 -36.73 0.21 Allowed 'General case' 0 N--CA 1.4 -2.963 0 C-N-CA 123.698 0.799 . . . . 0.0 111.903 169.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . 0.315 15.6 mm100 -129.07 -59.81 1.1 Allowed 'General case' 0 C--N 1.399 2.756 0 O-C-N 120.646 -1.284 . . . . 0.0 108.398 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . 0.278 18.3 m120 -116.36 -29.49 6.19 Favored 'General case' 0 C--N 1.387 2.201 0 O-C-N 119.369 -2.082 . . . . 0.0 112.53 -165.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.824 ' HB1' ' O ' ' A' ' 27' ' ' GLU . . . -142.55 -162.19 1.38 Allowed 'General case' 0 N--CA 1.405 -2.688 0 N-CA-C 117.031 2.234 . . . . 0.0 117.031 -137.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.638 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 18.6 tpt180 -114.61 -156.9 0.61 Allowed 'General case' 0 N--CA 1.409 -2.522 1 N-CA-C 97.805 -4.887 . . . . 0.0 97.805 167.087 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.754 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -162.82 158.04 22.18 Favored 'General case' 0 C--N 1.417 3.535 2 CA-C-N 129.968 5.804 . . . . 0.0 119.177 178.368 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.54 ' HB3' ' HB2' ' A' ' 19' ' ' CYS 0.39 7.8 mmpt? -166.26 159.93 15.45 Favored 'General case' 1 C--N 1.437 4.408 0 CA-C-O 115.82 -2.038 . . . . 0.0 106.063 -174.27 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.54 ' HB2' ' HB3' ' A' ' 18' ' ' LYS . 38.7 t -173.58 61.15 0.02 OUTLIER 'General case' 0 C--N 1.415 3.418 3 N-CA-C 93.225 -6.583 . . . . 0.0 93.225 -13.6 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.628 ' H ' ' HA ' ' A' ' 24' ' ' CYS . 60.1 t0 -77.78 -164.45 0.51 Allowed 'General case' 0 C--N 1.392 2.442 0 CA-C-O 116.431 -1.747 . . . . 0.0 108.314 -143.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -50.54 -24.49 3.24 Favored 'General case' 0 C--N 1.42 3.647 0 CA-C-N 123.543 2.883 . . . . 0.0 107.759 -176.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -166.38 8.51 0.03 OUTLIER 'General case' 0 C--N 1.414 3.394 0 O-C-N 121.586 -0.696 . . . . 0.0 110.486 165.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.461 ' H ' ' HB3' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -162.91 37.91 0.1 Allowed 'General case' 1 C--N 1.461 5.429 1 N-CA-C 127.057 5.947 . . . . 0.0 127.057 -156.074 . . . . . . . . 5 4 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.628 ' HA ' ' H ' ' A' ' 20' ' ' ASP 0.294 85.9 m -146.51 140.39 26.15 Favored 'General case' 1 C--N 1.442 4.588 2 CA-C-N 133.635 7.47 . . . . 0.0 101.7 -12.909 . . . . . . . . 5 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.754 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 13.6 p -101.56 -122.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.419 3.617 0 CA-C-N 125.713 3.87 . . . . 0.0 110.281 -165.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.462 ' H ' HG13 ' A' ' 25' ' ' VAL . 82.1 m -114.23 164.09 14.36 Favored 'General case' 1 C--N 1.446 4.777 1 CA-C-N 127.651 4.751 . . . . 0.0 117.549 -158.258 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.824 ' O ' ' HB1' ' A' ' 15' ' ' ALA 0.258 98.8 mt-10 -133.22 172.09 7.99 Favored Pre-proline 1 C--N 1.447 4.833 0 N-CA-C 103.655 -2.72 . . . . 0.0 103.655 166.975 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.411 ' HD2' ' HB3' ' A' ' 27' ' ' GLU . 0.5 OUTLIER -79.56 164.18 23.74 Favored 'Trans proline' 0 N--CA 1.415 -3.138 0 CA-C-N 127.076 3.563 . . . . 0.0 107.88 173.291 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt . . . . . 0 C--N 1.377 1.782 0 O-C-N 120.709 -1.244 . . . . 0.0 109.137 -175.023 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 57.9 p . . . . . 0 N--CA 1.392 -3.337 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.507 ' HA ' ' SG ' ' A' ' 6' ' ' CYS 0.276 21.9 p -81.28 67.75 7.33 Favored 'General case' 0 N--CA 1.392 -3.348 0 N-CA-C 106.179 -1.786 . . . . 0.0 106.179 173.398 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.513 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 28.7 tp10 -119.02 -31.9 4.61 Favored 'General case' 1 C--N 1.442 4.609 0 N-CA-C 105.597 -2.001 . . . . 0.0 105.597 166.697 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -79.73 -25.74 41.02 Favored 'General case' 0 CA--C 1.466 -2.272 0 O-C-N 119.203 -2.185 . . . . 0.0 105.262 176.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.507 ' SG ' ' HA ' ' A' ' 3' ' ' CYS . 71.9 m -64.59 -43.95 72.51 Favored Pre-proline 0 N--CA 1.381 -3.885 0 CA-C-O 116.224 -1.846 . . . . 0.0 110.691 -175.099 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.617 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -29.33 -2.49 0.0 OUTLIER 'Trans proline' 1 C--N 1.449 5.839 1 C-N-CA 125.635 4.223 . . . . 0.0 120.506 167.328 . . . . . . . . 5 4 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 6' ' ' CYS . 88.8 tt0 -119.53 -19.66 8.06 Favored 'General case' 0 N--CA 1.397 -3.09 0 O-C-N 118.499 -2.626 . . . . 0.0 109.236 177.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -74.98 -5.03 41.72 Favored 'General case' 0 C--N 1.379 1.857 0 O-C-N 120.03 -1.669 . . . . 0.0 113.351 -169.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.689 ' HB3' ' O ' ' A' ' 16' ' ' ARG . 53.8 t -118.68 3.38 11.7 Favored 'General case' 0 CA--C 1.464 -2.338 0 O-C-N 118.094 -2.879 . . . . 0.0 106.388 175.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.486 ' HA ' ' O ' ' A' ' 15' ' ' ALA . . . -72.98 -9.84 59.16 Favored 'General case' 0 C--N 1.394 2.541 0 N-CA-C 105.424 -2.065 . . . . 0.0 105.424 167.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.2 m -43.67 -37.96 2.86 Favored 'General case' 0 N--CA 1.391 -3.388 0 C-N-CA 122.94 0.496 . . . . 0.0 111.382 169.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -164.88 -15.87 0.03 OUTLIER 'General case' 0 C--N 1.416 3.466 0 O-C-N 119.418 -2.051 . . . . 0.0 114.031 -177.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . 0.265 22.7 m120 -126.98 -26.51 3.14 Favored 'General case' 0 CA--C 1.461 -2.455 0 O-C-N 118.768 -2.457 . . . . 0.0 110.901 -174.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.816 ' HB1' ' O ' ' A' ' 27' ' ' GLU . . . -165.51 -150.2 0.12 Allowed 'General case' 0 N--CA 1.392 -3.372 0 C-N-CA 116.425 -2.11 . . . . 0.0 113.254 -154.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.689 ' O ' ' HB3' ' A' ' 10' ' ' CYS . 59.6 ttt180 -120.68 -130.95 0.29 Allowed 'General case' 0 N--CA 1.394 -3.248 0 N-CA-C 100.375 -3.935 . . . . 0.0 100.375 172.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.617 ' HB3' ' HA ' ' A' ' 7' ' ' PRO . . . -161.57 153.16 18.94 Favored 'General case' 0 C--N 1.415 3.452 1 CA-C-N 128.262 5.028 . . . . 0.0 119.016 174.243 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.604 ' HB2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER 179.54 154.53 0.5 Allowed 'General case' 0 C--N 1.412 3.315 0 N-CA-C 104.084 -2.562 . . . . 0.0 104.084 170.635 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.604 ' HB2' ' HB2' ' A' ' 18' ' ' LYS . 36.6 t -169.21 55.59 0.04 OUTLIER 'General case' 0 C--N 1.417 3.531 3 N-CA-C 96.655 -5.313 . . . . 0.0 96.655 -11.865 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.652 ' HB3' ' O ' ' A' ' 23' ' ' LYS . 56.9 t0 -69.41 -159.39 0.03 OUTLIER 'General case' 1 C--N 1.435 4.3 0 C-N-CA 124.725 1.21 . . . . 0.0 110.62 -158.135 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.1 p-10 -66.02 -25.4 67.05 Favored 'General case' 0 C--N 1.419 3.622 0 CA-C-N 123.183 2.719 . . . . 0.0 110.533 -168.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.439 ' OD1' ' HG3' ' A' ' 23' ' ' LYS . 52.8 p-10 -156.01 -6.56 0.12 Allowed 'General case' 0 N--CA 1.413 -2.287 0 O-C-N 120.09 -1.631 . . . . 0.0 110.222 -178.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.652 ' O ' ' HB3' ' A' ' 20' ' ' ASP . 0.4 OUTLIER -144.04 159.16 43.08 Favored 'General case' 0 N--CA 1.399 -3.006 0 N-CA-C 104.418 -2.438 . . . . 0.0 104.418 174.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.632 ' HA ' ' H ' ' A' ' 20' ' ' ASP 0.387 35.3 m -110.53 138.66 46.63 Favored 'General case' 0 N--CA 1.395 -3.207 0 CA-C-N 121.743 2.065 . . . . 0.0 111.005 -158.907 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.699 HG22 ' SG ' ' A' ' 26' ' ' CYS . 12.8 p -115.28 -88.05 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.393 2.5 0 C-N-CA 115.673 -2.411 . . . . 0.0 110.486 -167.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.699 ' SG ' HG22 ' A' ' 25' ' ' VAL . 73.5 m -133.17 157.15 46.09 Favored 'General case' 0 C--N 1.424 3.826 2 CA-C-N 128.625 5.193 . . . . 0.0 116.484 -162.378 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.816 ' O ' ' HB1' ' A' ' 15' ' ' ALA . 96.8 mt-10 -141.06 168.81 13.02 Favored Pre-proline 1 C--N 1.444 4.713 0 N-CA-C 105.009 -2.219 . . . . 0.0 105.009 171.827 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.5 OUTLIER -79.2 166.58 22.55 Favored 'Trans proline' 0 N--CA 1.415 -3.094 0 CA-C-N 127.073 3.562 . . . . 0.0 108.644 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt . . . . . 0 C--N 1.382 2.01 0 O-C-N 120.603 -1.311 . . . . 0.0 108.393 -174.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.481 ' OG1' ' HG2' ' A' ' 4' ' ' GLU . 64.1 p . . . . . 0 N--CA 1.389 -3.518 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.3 p -78.69 35.8 0.25 Allowed 'General case' 0 N--CA 1.415 -2.218 0 O-C-N 119.66 -1.9 . . . . 0.0 109.491 -178.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.481 ' HG2' ' OG1' ' A' ' 2' ' ' THR . 21.4 pt-20 -99.56 2.51 44.78 Favored 'General case' 0 C--N 1.415 3.423 0 O-C-N 119.346 -2.097 . . . . 0.0 108.619 177.233 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -105.57 3.93 29.82 Favored 'General case' 0 C--N 1.381 1.971 0 N-CA-C 104.191 -2.522 . . . . 0.0 104.191 172.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.483 ' HB3' ' HB2' ' A' ' 24' ' ' CYS 0.252 70.5 m -106.15 -4.76 0.11 Allowed Pre-proline 0 N--CA 1.382 -3.859 0 O-C-N 119.867 -1.771 . . . . 0.0 113.736 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.636 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -86.82 3.76 6.55 Favored 'Trans proline' 1 C--N 1.446 5.699 0 CA-C-N 125.314 2.934 . . . . 0.0 108.217 -155.98 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . 0.252 74.4 tt0 -110.28 -15.69 13.91 Favored 'General case' 0 N--CA 1.395 -3.177 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 178.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -71.36 -7.46 47.34 Favored 'General case' 0 N--CA 1.42 -1.95 0 O-C-N 120.156 -1.59 . . . . 0.0 111.355 -164.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.1 t -113.71 2.28 15.16 Favored 'General case' 0 N--CA 1.411 -2.393 0 O-C-N 118.848 -2.407 . . . . 0.0 107.527 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.91 -18.75 63.41 Favored 'General case' 0 C--N 1.401 2.818 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 170.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.268 89.6 m -40.05 -35.98 0.43 Allowed 'General case' 0 N--CA 1.393 -3.317 0 C-N-CA 123.335 0.654 . . . . 0.0 111.637 171.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -131.87 -50.25 0.96 Allowed 'General case' 0 C--N 1.41 3.235 0 O-C-N 119.291 -2.13 . . . . 0.0 109.937 176.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . 0.293 54.2 m-20 -124.03 -21.98 4.94 Favored 'General case' 0 C--N 1.392 2.414 0 O-C-N 118.769 -2.457 . . . . 0.0 112.892 -169.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.652 ' HB1' ' O ' ' A' ' 27' ' ' GLU 0.282 . . -140.78 -175.75 4.41 Favored 'General case' 0 N--CA 1.405 -2.695 0 N-CA-C 117.178 2.288 . . . . 0.0 117.178 -140.358 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.571 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 10.2 tpt180 -101.36 -153.23 0.45 Allowed 'General case' 0 C--N 1.39 2.343 1 N-CA-C 99.65 -4.204 . . . . 0.0 99.65 163.698 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.666 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -164.25 152.5 12.76 Favored 'General case' 0 C--N 1.415 3.435 2 CA-C-N 128.777 5.262 . . . . 0.0 117.778 178.718 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.64 ' HD2' ' SG ' ' A' ' 19' ' ' CYS 0.423 2.2 mmmp? -167.58 162.06 14.04 Favored 'General case' 1 C--N 1.444 4.703 0 CA-C-O 114.51 -2.662 . . . . 0.0 105.429 -174.178 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.64 ' SG ' ' HD2' ' A' ' 18' ' ' LYS . 73.1 m -160.92 82.79 0.65 Allowed 'General case' 0 C--N 1.427 3.955 4 N-CA-C 92.012 -7.032 . . . . 0.0 92.012 -29.589 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.576 ' H ' ' HA ' ' A' ' 24' ' ' CYS . 59.7 t0 -84.97 -150.79 0.13 Allowed 'General case' 0 C--N 1.384 2.098 0 O-C-N 120.089 -1.632 . . . . 0.0 109.553 -139.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.1 p-10 -60.81 -15.61 31.83 Favored 'General case' 0 C--N 1.411 3.245 0 CA-C-N 122.348 2.34 . . . . 0.0 107.201 174.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -164.02 -8.81 0.03 OUTLIER 'General case' 0 N--CA 1.401 -2.916 0 C-N-CA 118.313 -1.355 . . . . 0.0 111.553 162.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.42 ' H ' ' HB3' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -172.14 46.23 0.02 OUTLIER 'General case' 1 C--N 1.46 5.382 1 N-CA-C 124.521 5.008 . . . . 0.0 124.521 -149.32 . . . . . . . . 5 4 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.576 ' HA ' ' H ' ' A' ' 20' ' ' ASP . 63.7 m -143.01 166.88 23.41 Favored 'General case' 1 C--N 1.433 4.215 2 CA-C-N 132.95 7.159 . . . . 0.0 102.25 -9.826 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.666 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 15.0 p -122.97 -127.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.42 3.664 1 CA-C-N 126.639 4.29 . . . . 0.0 109.703 -176.461 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.475 ' SG ' HG22 ' A' ' 25' ' ' VAL . 76.9 m -111.7 166.47 11.15 Favored 'General case' 1 C--N 1.439 4.497 1 CA-C-N 126.998 4.453 . . . . 0.0 117.667 -154.765 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.652 ' O ' ' HB1' ' A' ' 15' ' ' ALA . 95.9 mt-10 -136.53 174.96 3.89 Favored Pre-proline 1 C--N 1.447 4.81 0 N-CA-C 104.68 -2.341 . . . . 0.0 104.68 166.33 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.499 ' HD2' ' HB3' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -81.07 169.25 16.35 Favored 'Trans proline' 0 C--N 1.403 3.422 0 CA-C-N 126.776 3.456 . . . . 0.0 108.048 172.672 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt . . . . . 0 C--N 1.375 1.69 0 O-C-N 120.693 -1.255 . . . . 0.0 108.865 -175.499 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 CA--C 1.493 -1.236 0 CA-C-O 121.57 0.7 . . . . 0.0 109.867 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.475 ' HA ' ' SG ' ' A' ' 6' ' ' CYS . 28.1 p -77.3 24.64 0.18 Allowed 'General case' 0 N--CA 1.398 -3.047 0 O-C-N 118.413 -2.679 . . . . 0.0 109.5 -178.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -93.16 -0.81 56.83 Favored 'General case' 0 C--N 1.426 3.913 0 O-C-N 119.737 -1.852 . . . . 0.0 108.116 171.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -111.06 5.34 20.14 Favored 'General case' 0 CA--C 1.457 -2.61 0 N-CA-C 105.639 -1.986 . . . . 0.0 105.639 175.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.499 ' HB3' ' HB2' ' A' ' 24' ' ' CYS 0.295 73.6 m -96.95 -17.63 0.21 Allowed Pre-proline 0 N--CA 1.386 -3.643 0 CA-C-O 117.005 -1.474 . . . . 0.0 114.012 173.822 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.596 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -81.52 -6.71 12.7 Favored 'Trans proline' 2 N--CA 1.381 -5.134 0 CA-C-N 125.442 2.979 . . . . 0.0 108.076 -158.045 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -97.32 -3.36 40.62 Favored 'General case' 0 N--CA 1.4 -2.97 0 O-C-N 119.272 -2.143 . . . . 0.0 107.862 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -83.32 -22.31 32.95 Favored 'General case' 0 N--CA 1.41 -2.46 0 O-C-N 120.108 -1.62 . . . . 0.0 109.891 -164.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.588 ' HB3' ' O ' ' A' ' 16' ' ' ARG . 49.5 t -94.1 8.43 41.59 Favored 'General case' 0 C--N 1.38 1.91 0 O-C-N 118.909 -2.369 . . . . 0.0 107.513 178.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.69 -16.54 62.8 Favored 'General case' 0 C--N 1.388 2.281 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 172.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.4 m -61.51 -40.13 93.51 Favored 'General case' 0 N--CA 1.389 -3.486 0 O-C-N 121.556 -0.715 . . . . 0.0 110.51 178.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -111.95 -57.62 2.24 Favored 'General case' 0 C--N 1.394 2.502 0 O-C-N 119.904 -1.747 . . . . 0.0 108.666 -176.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -104.29 -66.84 0.93 Allowed 'General case' 0 N--CA 1.408 -2.53 0 O-C-N 119.437 -2.039 . . . . 0.0 108.373 -174.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 27' ' ' GLU . . . -166.23 -61.08 0.03 OUTLIER 'General case' 0 N--CA 1.408 -2.555 0 CA-C-N 122.881 2.582 . . . . 0.0 113.528 -167.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.602 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 36.0 ttt180 -153.41 -160.63 1.14 Allowed 'General case' 0 C--N 1.386 2.156 0 CA-C-N 123.062 2.665 . . . . 0.0 106.163 -178.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.596 ' HB3' ' HA ' ' A' ' 7' ' ' PRO . . . -162.94 173.53 13.53 Favored 'General case' 0 C--N 1.423 3.775 1 CA-C-N 127.813 4.824 . . . . 0.0 117.895 -176.832 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 25' ' ' VAL 0.364 3.9 mmmp? -178.59 144.76 0.29 Allowed 'General case' 0 C--N 1.426 3.904 0 N-CA-C 102.065 -3.309 . . . . 0.0 102.065 -168.645 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.0 t 168.22 49.27 0.0 OUTLIER 'General case' 0 C--N 1.408 3.147 3 CA-C-N 130.618 6.099 . . . . 0.0 94.544 -7.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.909 ' HB3' ' O ' ' A' ' 23' ' ' LYS . 46.5 t0 -81.18 -155.55 0.12 Allowed 'General case' 0 C--N 1.408 3.144 0 CA-C-O 117.088 -1.434 . . . . 0.0 107.965 -151.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.427 ' OD1' ' NZ ' ' A' ' 23' ' ' LYS . 24.4 p-10 -54.37 -27.61 37.51 Favored 'General case' 0 C--N 1.426 3.923 0 CA-C-N 123.281 2.764 . . . . 0.0 109.351 -172.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -160.95 -15.74 0.05 OUTLIER 'General case' 0 N--CA 1.418 -2.068 0 O-C-N 120.972 -1.08 . . . . 0.0 108.093 163.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.909 ' O ' ' HB3' ' A' ' 20' ' ' ASP . 1.0 OUTLIER -125.16 132.12 53.12 Favored 'General case' 0 C--N 1.386 2.155 0 O-C-N 119.503 -1.998 . . . . 0.0 106.232 -170.219 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.499 ' HB2' ' HB3' ' A' ' 6' ' ' CYS 0.384 30.6 m -107.33 150.99 26.08 Favored 'General case' 0 N--CA 1.426 -1.672 0 O-C-N 119.541 -1.974 . . . . 0.0 114.784 -150.565 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.474 HG22 ' N ' ' A' ' 26' ' ' CYS . 14.7 p -144.05 -155.63 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.424 3.832 0 CA-C-N 121.371 1.896 . . . . 0.0 109.947 179.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.516 ' HA ' ' O ' ' A' ' 16' ' ' ARG . 39.1 m -69.62 158.04 36.06 Favored 'General case' 0 C--N 1.396 2.605 0 N-CA-C 120.973 3.694 . . . . 0.0 120.973 -136.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.613 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 97.0 mt-10 -131.67 168.3 18.12 Favored Pre-proline 1 C--N 1.436 4.336 0 N-CA-C 102.953 -2.98 . . . . 0.0 102.953 161.842 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -85.06 161.82 11.64 Favored 'Trans proline' 1 C--N 1.424 4.529 0 CA-C-N 124.731 2.725 . . . . 0.0 109.262 177.71 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.463 ' N ' ' HB1' ' A' ' 15' ' ' ALA . 16.3 ptmt . . . . . 0 C--N 1.391 2.413 0 O-C-N 120.829 -1.169 . . . . 0.0 109.21 -173.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.5 p . . . . . 0 CA--C 1.498 -1.037 0 CA-C-O 121.489 0.661 . . . . 0.0 111.728 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.7 p -81.0 75.51 7.98 Favored 'General case' 0 N--CA 1.385 -3.694 0 N-CA-C 103.989 -2.597 . . . . 0.0 103.989 168.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -102.44 -35.3 8.83 Favored 'General case' 0 C--N 1.409 3.188 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 168.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -78.21 -60.46 2.36 Favored 'General case' 0 CA--C 1.462 -2.412 0 O-C-N 119.216 -2.177 . . . . 0.0 105.978 -178.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 8' ' ' GLU . 86.3 m -32.95 -42.38 0.31 Allowed Pre-proline 0 C--N 1.405 2.981 0 CA-C-O 114.555 -2.64 . . . . 0.0 114.601 -178.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.653 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -26.8 -16.49 0.0 OUTLIER 'Trans proline' 1 C--N 1.449 5.851 0 C-N-CA 124.197 3.265 . . . . 0.0 117.322 158.207 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 6' ' ' CYS 0.35 78.6 tt0 -115.82 -35.29 4.52 Favored 'General case' 0 N--CA 1.382 -3.837 0 O-C-N 119.99 -1.694 . . . . 0.0 108.918 177.501 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.417 ' N ' ' O ' ' A' ' 6' ' ' CYS . 59.9 t60 -68.0 -7.25 27.41 Favored 'General case' 0 C--N 1.392 2.444 0 O-C-N 120.106 -1.622 . . . . 0.0 112.748 -165.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 52.0 t -110.37 -2.1 16.82 Favored 'General case' 0 C--N 1.385 2.128 0 O-C-N 118.467 -2.646 . . . . 0.0 108.091 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.496 ' HA ' ' O ' ' A' ' 15' ' ' ALA . . . -72.01 -14.41 61.88 Favored 'General case' 0 C--N 1.388 2.246 0 N-CA-C 106.078 -1.823 . . . . 0.0 106.078 170.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.269 87.1 m -49.95 -33.94 19.21 Favored 'General case' 0 N--CA 1.393 -3.32 0 C-N-CA 122.727 0.411 . . . . 0.0 111.547 173.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . 0.333 32.8 mm-40 -126.99 -55.28 1.38 Allowed 'General case' 0 C--N 1.4 2.771 0 O-C-N 119.946 -1.721 . . . . 0.0 109.572 -177.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . 0.321 36.7 t30 -124.53 -35.52 2.74 Favored 'General case' 0 N--CA 1.416 -2.172 0 O-C-N 120.038 -1.664 . . . . 0.0 110.604 -160.049 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.895 ' HB1' ' O ' ' A' ' 27' ' ' GLU . . . -141.99 -154.43 0.52 Allowed 'General case' 0 N--CA 1.384 -3.736 0 C-N-CA 116.994 -1.882 . . . . 0.0 114.066 -147.088 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.554 HH11 ' HG3' ' A' ' 16' ' ' ARG . 12.0 ttt85 -118.11 -144.23 0.37 Allowed 'General case' 0 N--CA 1.393 -3.323 1 N-CA-C 97.832 -4.877 . . . . 0.0 97.832 168.208 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.813 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -163.21 158.73 22.0 Favored 'General case' 0 C--N 1.414 3.413 1 CA-C-N 129.387 5.54 . . . . 0.0 121.657 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.53 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 27.3 mmtp -121.77 -144.43 0.34 Allowed 'General case' 1 C--N 1.435 4.304 0 C-N-CA 125.126 1.37 . . . . 0.0 110.833 -171.345 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.53 ' H ' ' HB3' ' A' ' 18' ' ' LYS 0.335 45.3 m -129.31 135.76 49.16 Favored 'General case' 2 C--N 1.443 4.666 0 N-CA-C 104.193 -2.521 . . . . 0.0 104.193 -168.34 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.477 ' N ' ' HA ' ' A' ' 24' ' ' CYS . 68.3 t0 -104.47 -146.73 0.38 Allowed 'General case' 0 C--N 1.406 3.058 0 CA-C-N 123.587 2.903 . . . . 0.0 104.71 -168.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -70.41 -41.59 72.77 Favored 'General case' 0 C--N 1.401 2.805 0 CA-C-N 125.131 3.605 . . . . 0.0 106.17 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . 0.264 50.6 m-20 -143.35 -28.73 0.54 Allowed 'General case' 0 C--N 1.387 2.226 0 O-C-N 120.353 -1.467 . . . . 0.0 107.122 176.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.479 ' O ' ' HD3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -113.6 84.55 2.04 Favored 'General case' 0 C--N 1.382 1.985 0 CA-C-O 124.416 2.055 . . . . 0.0 105.98 -169.532 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.477 ' HA ' ' N ' ' A' ' 20' ' ' ASP 0.288 7.2 p -41.39 157.65 0.02 OUTLIER 'General case' 0 N--CA 1.433 -1.295 0 N-CA-C 119.714 3.228 . . . . 0.0 119.714 -170.021 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.813 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 14.9 p -154.05 -127.32 0.01 OUTLIER 'Isoleucine or valine' 1 C--N 1.476 6.088 0 CA-C-O 114.398 -2.715 . . . . 0.0 109.541 -165.464 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.536 ' SG ' HG22 ' A' ' 25' ' ' VAL 0.263 64.1 m -107.16 156.75 18.48 Favored 'General case' 1 C--N 1.49 6.697 1 CA-C-N 127.743 4.792 . . . . 0.0 120.438 -151.872 . . . . . . . . 5 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.895 ' O ' ' HB1' ' A' ' 15' ' ' ALA 0.284 96.4 mt-10 -133.39 179.46 1.37 Allowed Pre-proline 1 C--N 1.48 6.272 0 N-CA-C 104.869 -2.271 . . . . 0.0 104.869 169.331 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.553 ' HD2' ' HB3' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -84.76 163.36 12.15 Favored 'Trans proline' 1 C--N 1.421 4.378 0 CA-C-N 127.265 3.63 . . . . 0.0 109.04 170.83 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.431 ' HA ' ' HB2' ' A' ' 16' ' ' ARG . 17.4 ptmt . . . . . 0 C--N 1.389 2.291 0 O-C-N 120.655 -1.278 . . . . 0.0 109.064 -177.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.5 p . . . . . 0 CA--C 1.472 -2.035 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.0 p -76.26 26.9 0.12 Allowed 'General case' 0 N--CA 1.398 -3.072 0 O-C-N 120.024 -1.673 . . . . 0.0 108.656 177.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.625 ' C ' ' HD3' ' A' ' 7' ' ' PRO . 17.0 pt-20 -83.15 8.54 12.84 Favored 'General case' 0 C--N 1.411 3.268 0 O-C-N 120.179 -1.575 . . . . 0.0 109.415 160.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.755 ' N ' ' HB2' ' A' ' 6' ' ' CYS . 13.0 t70 -107.09 -12.2 15.46 Favored 'General case' 0 C--N 1.402 2.886 0 N-CA-C 119.672 3.212 . . . . 0.0 119.672 -163.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.755 ' HB2' ' N ' ' A' ' 5' ' ' ASP . 83.4 m 104.88 -42.63 0.0 OUTLIER Pre-proline 1 C--N 1.482 6.345 3 CA-C-N 133.309 7.322 . . . . 0.0 110.85 -3.091 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.625 ' HD3' ' C ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -97.94 -5.13 1.02 Allowed 'Trans proline' 2 C--N 1.447 5.751 0 CA-C-N 126.458 3.342 . . . . 0.0 108.08 -168.121 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -107.37 -12.78 15.25 Favored 'General case' 0 N--CA 1.382 -3.86 0 N-CA-C 104.601 -2.37 . . . . 0.0 104.601 -178.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -76.14 -1.3 25.48 Favored 'General case' 0 N--CA 1.406 -2.627 0 O-C-N 120.628 -1.295 . . . . 0.0 111.847 -168.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.766 ' HB2' HG23 ' A' ' 25' ' ' VAL . 42.2 t -111.01 -5.88 14.75 Favored 'General case' 0 C--N 1.382 2.009 0 O-C-N 118.632 -2.543 . . . . 0.0 107.032 177.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.57 -20.15 63.67 Favored 'General case' 0 C--N 1.402 2.868 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 172.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.296 88.5 m -42.19 -36.51 1.22 Allowed 'General case' 0 N--CA 1.399 -2.99 0 C-N-CA 123.298 0.639 . . . . 0.0 111.926 171.267 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . 0.294 0.8 OUTLIER -122.92 -62.08 1.38 Allowed 'General case' 0 C--N 1.397 2.639 0 O-C-N 120.064 -1.648 . . . . 0.0 107.903 -179.692 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.5 p-10 -140.65 0.9 1.68 Allowed 'General case' 0 C--N 1.389 2.326 0 O-C-N 119.7 -1.875 . . . . 0.0 113.985 -163.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.769 ' HB1' ' O ' ' A' ' 27' ' ' GLU . . . -150.13 -146.66 0.2 Allowed 'General case' 0 N--CA 1.415 -2.223 0 CA-C-N 122.515 2.416 . . . . 0.0 114.645 -166.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.556 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 20.8 tpt180 -127.94 -156.32 0.75 Allowed 'General case' 0 C--N 1.386 2.183 1 N-CA-C 95.834 -5.617 . . . . 0.0 95.834 175.471 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.603 ' HB1' ' HA ' ' A' ' 25' ' ' VAL . . . -158.87 -179.1 7.75 Favored 'General case' 0 C--N 1.406 3.033 1 CA-C-N 129.611 5.641 . . . . 0.0 119.312 173.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.469 ' HG2' ' HG3' ' A' ' 27' ' ' GLU . 3.7 mmmp? -144.34 -105.7 0.11 Allowed 'General case' 1 C--N 1.429 4.049 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -174.794 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . 0.362 6.1 t -158.17 115.93 2.98 Favored 'General case' 0 N--CA 1.39 -3.453 0 O-C-N 119.204 -2.185 . . . . 0.0 105.449 -149.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.675 ' HB2' HG12 ' A' ' 25' ' ' VAL . 63.1 t0 -98.99 -148.68 0.34 Allowed 'General case' 0 C--N 1.391 2.373 0 CA-C-O 115.894 -2.003 . . . . 0.0 106.588 -159.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -54.0 -33.77 58.04 Favored 'General case' 1 C--N 1.432 4.174 0 CA-C-N 124.509 3.322 . . . . 0.0 105.883 176.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -158.53 7.96 0.13 Allowed 'General case' 0 C--N 1.391 2.399 0 O-C-N 121.15 -0.969 . . . . 0.0 108.442 163.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.623 ' H ' ' HB3' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -162.07 64.01 0.23 Allowed 'General case' 1 C--N 1.437 4.41 0 N-CA-C 120.775 3.62 . . . . 0.0 120.775 -154.053 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.492 ' HB3' ' HB3' ' A' ' 6' ' ' CYS 0.448 71.9 m -154.1 131.66 11.38 Favored 'General case' 1 C--N 1.443 4.66 2 CA-C-N 131.057 6.299 . . . . 0.0 103.585 -11.834 . . . . . . . . 5 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.766 HG23 ' HB2' ' A' ' 10' ' ' CYS . 10.6 p -175.25 158.3 0.32 Allowed 'Isoleucine or valine' 1 C--N 1.434 4.267 0 CA-C-N 125.853 3.933 . . . . 0.0 107.307 -174.755 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.637 ' SG ' HG22 ' A' ' 25' ' ' VAL 0.361 65.0 m -132.6 167.1 20.64 Favored 'General case' 1 C--N 1.525 8.236 2 CA-C-N 132.792 7.087 . . . . 0.0 107.192 -10.085 . . . . . . . . 5 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.769 ' O ' ' HB1' ' A' ' 15' ' ' ALA 0.285 91.7 mt-10 -136.02 167.19 23.02 Favored Pre-proline 1 C--N 1.446 4.78 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 164.659 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER -85.01 175.19 6.78 Favored 'Trans proline' 0 N--CA 1.409 -3.453 0 CA-C-N 125.473 2.99 . . . . 0.0 107.351 168.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? . . . . . 0 C--N 1.388 2.267 0 O-C-N 119.794 -1.816 . . . . 0.0 107.9 177.17 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.354 0 N-CA-C 106.922 -1.511 . . . . 0.0 106.922 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 82.3 p 46.55 46.14 14.26 Favored 'General case' 0 C--N 1.411 3.26 0 C-N-CA 123.181 0.592 . . . . 0.0 111.131 173.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.554 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 27.4 p -75.76 9.59 2.24 Favored 'General case' 0 N--CA 1.414 -2.27 0 O-C-N 119.559 -1.963 . . . . 0.0 107.603 171.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -68.59 -10.39 55.6 Favored 'General case' 0 C--N 1.418 3.579 0 O-C-N 120.696 -1.253 . . . . 0.0 109.81 164.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -95.13 1.47 54.87 Favored 'General case' 0 C--N 1.379 1.861 0 O-C-N 117.905 -2.997 . . . . 0.0 106.611 176.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.428 ' HB3' ' HB2' ' A' ' 24' ' ' CYS 0.318 78.5 m -103.13 -13.74 0.16 Allowed Pre-proline 0 N--CA 1.405 -2.699 0 O-C-N 119.214 -2.179 . . . . 0.0 115.182 -177.556 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.668 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 0.4 OUTLIER -81.32 -3.96 12.27 Favored 'Trans proline' 2 C--N 1.428 4.758 0 CA-C-N 125.387 2.96 . . . . 0.0 108.358 -155.524 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -98.5 -10.67 23.2 Favored 'General case' 0 N--CA 1.392 -3.331 0 O-C-N 120.251 -1.53 . . . . 0.0 108.224 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.469 ' ND1' ' O ' ' A' ' 9' ' ' HIS . 13.2 t-80 -86.18 -14.71 43.2 Favored 'General case' 0 N--CA 1.411 -2.379 0 O-C-N 119.743 -1.848 . . . . 0.0 111.258 -163.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.484 ' SG ' ' HB3' ' A' ' 15' ' ' ALA . 54.0 t -95.93 2.11 53.32 Favored 'General case' 0 C--N 1.376 1.738 0 O-C-N 118.167 -2.833 . . . . 0.0 106.399 174.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.484 ' HA ' ' O ' ' A' ' 15' ' ' ALA . . . -75.08 -15.31 60.62 Favored 'General case' 0 CA--C 1.463 -2.399 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 173.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.9 m -53.83 -31.11 48.09 Favored 'General case' 0 N--CA 1.389 -3.519 0 O-C-N 121.995 -0.44 . . . . 0.0 110.51 176.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 -117.01 -65.87 1.14 Allowed 'General case' 0 C--N 1.401 2.838 0 O-C-N 119.61 -1.931 . . . . 0.0 109.101 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . 0.312 42.7 m-20 -125.06 -18.83 5.35 Favored 'General case' 0 CA--C 1.47 -2.106 0 O-C-N 118.922 -2.361 . . . . 0.0 111.314 -169.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.737 ' HB1' ' O ' ' A' ' 27' ' ' GLU . . . -139.57 -148.61 0.26 Allowed 'General case' 0 N--CA 1.391 -3.393 0 C-N-CA 117.371 -1.732 . . . . 0.0 113.811 -141.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.423 ' H ' ' H ' ' A' ' 27' ' ' GLU . 43.3 ttt180 -136.25 -156.48 0.71 Allowed 'General case' 0 N--CA 1.393 -3.284 0 N-CA-C 100.408 -3.923 . . . . 0.0 100.408 169.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.668 ' HB3' ' HA ' ' A' ' 7' ' ' PRO . . . -160.32 166.26 29.78 Favored 'General case' 0 C--N 1.405 2.998 1 CA-C-N 128.815 5.279 . . . . 0.0 118.598 -178.617 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 17' ' ' ALA 0.317 2.6 mmmp? -177.19 146.0 0.48 Allowed 'General case' 0 C--N 1.427 3.942 0 N-CA-C 101.835 -3.394 . . . . 0.0 101.835 -171.524 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.2 t 178.29 57.2 0.01 OUTLIER 'General case' 0 C--N 1.423 3.771 3 CA-C-N 129.425 5.557 . . . . 0.0 96.716 -7.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.853 ' HB3' ' O ' ' A' ' 23' ' ' LYS . 56.3 t0 -73.34 -148.17 0.02 OUTLIER 'General case' 0 C--N 1.417 3.529 0 CA-C-O 117.493 -1.241 . . . . 0.0 109.31 -157.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.519 ' OD1' ' HE3' ' A' ' 23' ' ' LYS . 26.9 p-10 -61.37 -30.12 70.33 Favored 'General case' 0 C--N 1.428 3.982 0 CA-C-N 124.011 3.096 . . . . 0.0 107.531 -172.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' A' ' 21' ' ' ASN . 46.5 t0 -173.56 25.73 0.01 OUTLIER 'General case' 0 C--N 1.401 2.809 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 161.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.853 ' O ' ' HB3' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -153.77 124.6 7.25 Favored 'General case' 0 C--N 1.394 2.509 0 N-CA-C 104.076 -2.565 . . . . 0.0 104.076 -179.443 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.554 ' SG ' ' HB2' ' A' ' 3' ' ' CYS . 16.7 m -112.72 173.18 6.5 Favored 'General case' 0 C--N 1.39 2.339 0 O-C-N 118.861 -2.4 . . . . 0.0 116.66 -143.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.454 HG22 ' H ' ' A' ' 26' ' ' CYS . 15.0 p -150.28 -153.42 0.03 OUTLIER 'Isoleucine or valine' 1 C--N 1.431 4.122 0 O-C-N 120.235 -1.541 . . . . 0.0 109.085 -175.904 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.454 ' H ' HG22 ' A' ' 25' ' ' VAL . 58.8 m -85.09 160.54 19.96 Favored 'General case' 0 C--N 1.388 2.281 0 CA-C-N 125.842 3.928 . . . . 0.0 120.052 -140.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.737 ' O ' ' HB1' ' A' ' 15' ' ' ALA . 96.2 mt-10 -133.44 165.64 35.2 Favored Pre-proline 1 C--N 1.437 4.382 0 N-CA-C 103.954 -2.61 . . . . 0.0 103.954 163.738 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -81.0 167.74 17.85 Favored 'Trans proline' 0 C--N 1.4 3.254 0 CA-C-N 126.552 3.376 . . . . 0.0 109.002 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt . . . . . 0 C--N 1.38 1.923 0 O-C-N 120.705 -1.247 . . . . 0.0 108.808 -173.766 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.282 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.4 t -166.82 139.23 3.56 Favored 'General case' 0 N--CA 1.406 -2.651 0 O-C-N 120.302 -1.499 . . . . 0.0 107.569 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.445 ' HA ' ' SG ' ' A' ' 6' ' ' CYS 0.257 26.0 p -88.99 38.14 0.87 Allowed 'General case' 0 N--CA 1.408 -2.552 0 O-C-N 119.522 -1.986 . . . . 0.0 108.64 -176.772 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -103.91 -1.01 28.33 Favored 'General case' 0 C--N 1.423 3.783 0 O-C-N 120.156 -1.59 . . . . 0.0 107.833 167.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -100.77 -17.14 17.07 Favored 'General case' 0 CA--C 1.469 -2.161 0 N-CA-C 104.856 -2.275 . . . . 0.0 104.856 175.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.457 ' HB3' ' HB2' ' A' ' 24' ' ' CYS 0.332 60.7 m -91.44 -17.39 0.22 Allowed Pre-proline 1 N--CA 1.374 -4.266 0 N-CA-C 115.942 1.831 . . . . 0.0 115.942 -173.058 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.835 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 0.4 OUTLIER -79.96 -4.3 13.24 Favored 'Trans proline' 2 C--N 1.438 5.28 0 CA-C-N 124.559 2.664 . . . . 0.0 107.882 -162.011 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -91.25 -12.07 36.3 Favored 'General case' 0 N--CA 1.392 -3.357 0 O-C-N 120.257 -1.527 . . . . 0.0 107.836 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.05 -49.1 10.6 Favored 'General case' 0 N--CA 1.416 -2.134 0 O-C-N 120.464 -1.397 . . . . 0.0 110.488 -166.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.402 ' HB3' ' HB2' ' A' ' 17' ' ' ALA . 47.1 t -85.11 2.19 44.54 Favored 'General case' 0 CA--C 1.477 -1.84 0 O-C-N 118.942 -2.348 . . . . 0.0 106.757 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.47 ' HA ' ' O ' ' A' ' 15' ' ' ALA . . . -74.46 -18.75 60.59 Favored 'General case' 0 N--CA 1.393 -3.308 0 O-C-N 120.426 -1.421 . . . . 0.0 107.845 175.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.2 m -59.45 -44.8 92.88 Favored 'General case' 0 N--CA 1.397 -3.12 0 O-C-N 121.51 -0.744 . . . . 0.0 111.465 -174.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -109.98 -38.7 5.26 Favored 'General case' 0 CA--C 1.462 -2.411 0 O-C-N 119.285 -2.134 . . . . 0.0 110.329 -170.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.444 ' OD1' ' HB2' ' A' ' 15' ' ' ALA . 24.3 t-20 -121.09 -32.85 3.84 Favored 'General case' 0 N--CA 1.407 -2.594 0 O-C-N 119.066 -2.271 . . . . 0.0 112.046 -168.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.584 ' HB1' ' O ' ' A' ' 27' ' ' GLU . . . -156.11 -135.25 0.04 OUTLIER 'General case' 0 N--CA 1.412 -2.363 0 O-C-N 118.898 -2.376 . . . . 0.0 113.85 -156.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.521 ' HB3' ' HG3' ' A' ' 27' ' ' GLU . 9.9 tpt180 -110.55 -135.45 0.36 Allowed 'General case' 0 C--N 1.406 3.028 1 N-CA-C 99.085 -4.413 . . . . 0.0 99.085 166.158 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.835 ' HB3' ' HA ' ' A' ' 7' ' ' PRO . . . -169.77 154.59 5.43 Favored 'General case' 1 C--N 1.442 4.588 1 CA-C-N 127.378 4.626 . . . . 0.0 116.374 167.065 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 25' ' ' VAL 0.356 29.3 mmmt -165.55 -175.94 3.74 Favored 'General case' 1 C--N 1.463 5.537 0 CA-C-O 115.543 -2.17 . . . . 0.0 108.491 -172.869 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.452 ' SG ' ' HE3' ' A' ' 18' ' ' LYS . 83.6 m -128.52 87.96 2.67 Favored 'General case' 0 C--N 1.417 3.511 1 N-CA-C 96.838 -5.245 . . . . 0.0 96.838 -78.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.505 ' H ' ' HA ' ' A' ' 24' ' ' CYS . 42.7 t0 -91.76 173.76 7.7 Favored 'General case' 0 C--N 1.399 2.722 0 O-C-N 120.317 -1.49 . . . . 0.0 109.429 -157.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -50.42 -28.28 7.92 Favored 'General case' 1 C--N 1.437 4.376 0 CA-C-N 121.752 2.069 . . . . 0.0 110.795 -168.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -145.79 -1.23 0.79 Allowed 'General case' 0 N--CA 1.401 -2.876 0 O-C-N 120.637 -1.289 . . . . 0.0 108.078 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.263 0.0 OUTLIER -127.11 -152.99 0.54 Allowed 'General case' 0 CA--C 1.461 -2.45 0 O-C-N 119.405 -2.06 . . . . 0.0 106.722 -177.749 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.505 ' HA ' ' H ' ' A' ' 20' ' ' ASP 0.348 55.9 m -133.92 115.08 13.99 Favored 'General case' 1 N--CA 1.378 -4.043 0 N-CA-C 104.935 -2.246 . . . . 0.0 104.935 159.425 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.685 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 10.6 p -99.25 -91.73 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.389 2.287 0 CA-C-N 122.694 2.497 . . . . 0.0 107.951 -172.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.617 ' H ' HG13 ' A' ' 25' ' ' VAL . 82.3 m -132.18 154.35 49.64 Favored 'General case' 0 C--N 1.417 3.535 1 CA-C-N 127.515 4.689 . . . . 0.0 113.873 -166.472 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.584 ' O ' ' HB1' ' A' ' 15' ' ' ALA . 23.2 pt-20 -142.51 168.24 13.98 Favored Pre-proline 0 C--N 1.417 3.54 0 N-CA-C 101.834 -3.395 . . . . 0.0 101.834 162.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.471 ' HA ' ' HB1' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -80.11 166.22 20.93 Favored 'Trans proline' 0 C--N 1.411 3.825 0 CA-C-N 127.447 3.695 . . . . 0.0 110.127 -171.621 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt . . . . . 0 C--N 1.386 2.179 0 O-C-N 121.128 -0.982 . . . . 0.0 109.241 -174.062 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.482 -1.654 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 2' ' ' THR . 71.5 m 52.5 37.54 23.18 Favored 'General case' 0 C--N 1.403 2.917 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.541 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 25.7 p -78.72 22.58 0.36 Allowed 'General case' 0 N--CA 1.41 -2.434 0 O-C-N 118.74 -2.475 . . . . 0.0 109.38 -173.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -84.58 16.63 3.08 Favored 'General case' 0 C--N 1.399 2.736 0 O-C-N 120.272 -1.518 . . . . 0.0 109.64 163.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.724 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 41.4 t0 -98.2 -37.47 9.68 Favored 'General case' 0 C--N 1.389 2.303 0 O-C-N 118.282 -2.761 . . . . 0.0 117.634 -168.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.724 ' SG ' ' HB3' ' A' ' 5' ' ' ASP 0.255 86.9 m 111.54 -81.71 0.0 OUTLIER Pre-proline 1 C--N 1.478 6.174 3 CA-C-N 133.194 7.27 . . . . 0.0 102.376 13.187 . . . . . . . . 5 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.598 ' HA ' ' N ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -38.7 -50.29 2.48 Favored 'Trans proline' 1 C--N 1.467 6.812 0 CA-C-N 126.497 3.356 . . . . 0.0 114.653 169.127 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -77.29 -16.68 58.86 Favored 'General case' 1 N--CA 1.378 -4.054 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -169.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -81.45 -11.4 59.24 Favored 'General case' 0 N--CA 1.407 -2.578 0 O-C-N 119.857 -1.777 . . . . 0.0 110.717 -174.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 16' ' ' ARG . 41.8 t -106.09 -5.84 19.12 Favored 'General case' 0 N--CA 1.415 -2.205 0 O-C-N 118.757 -2.465 . . . . 0.0 105.866 178.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' A' ' 15' ' ' ALA . . . -75.99 -5.49 46.58 Favored 'General case' 0 C--N 1.406 3.027 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 171.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.8 m -49.56 -32.56 12.83 Favored 'General case' 0 N--CA 1.393 -3.319 0 O-C-N 121.833 -0.542 . . . . 0.0 110.316 170.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' A' ' 14' ' ' ASN . 15.3 pt20 -146.09 -49.59 0.22 Allowed 'General case' 0 C--N 1.401 2.847 0 O-C-N 119.691 -1.881 . . . . 0.0 111.771 -175.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.457 ' N ' ' HG3' ' A' ' 13' ' ' GLN 0.269 54.1 m-20 -113.41 -34.03 5.73 Favored 'General case' 0 C--N 1.394 2.532 0 O-C-N 118.108 -2.87 . . . . 0.0 109.93 -173.75 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.773 ' HB1' ' O ' ' A' ' 27' ' ' GLU . . . -143.73 -140.67 0.12 Allowed 'General case' 0 N--CA 1.411 -2.412 0 C-N-CA 117.439 -1.704 . . . . 0.0 114.42 -148.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.646 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 9.6 ttt85 -143.0 -150.16 0.3 Allowed 'General case' 0 C--N 1.397 2.65 1 N-CA-C 99.27 -4.345 . . . . 0.0 99.27 179.415 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.598 ' N ' ' HA ' ' A' ' 7' ' ' PRO 0.251 . . -160.68 -179.95 8.04 Favored 'General case' 1 C--N 1.433 4.218 2 CA-C-N 130.621 6.101 . . . . 0.0 121.691 177.628 . . . . . . . . 5 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.655 ' HD3' ' HG2' ' A' ' 27' ' ' GLU . 31.4 mmmt -137.71 -126.64 0.13 Allowed 'General case' 1 C--N 1.44 4.511 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 -166.651 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . 0.32 35.4 m -148.38 109.2 4.24 Favored 'General case' 1 C--N 1.438 4.441 0 O-C-N 119.395 -2.066 . . . . 0.0 108.422 -169.111 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.71 ' HB3' ' O ' ' A' ' 23' ' ' LYS . 12.9 t0 -84.09 172.65 11.78 Favored 'General case' 0 C--N 1.403 2.933 0 O-C-N 118.496 -2.628 . . . . 0.0 104.045 170.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.526 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 47.5 t-20 -26.79 -46.87 0.03 OUTLIER 'General case' 0 C--N 1.427 3.968 0 CA-C-N 121.002 1.728 . . . . 0.0 111.178 -178.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -132.19 -39.45 1.05 Allowed 'General case' 0 N--CA 1.416 -2.129 0 O-C-N 119.732 -1.855 . . . . 0.0 109.935 172.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.71 ' O ' ' HB3' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -107.77 160.69 15.53 Favored 'General case' 0 C--N 1.381 1.937 0 O-C-N 119.494 -2.004 . . . . 0.0 106.697 -167.7 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.423 ' HB3' ' HB3' ' A' ' 6' ' ' CYS 0.453 19.3 m -115.65 154.5 29.38 Favored 'General case' 0 N--CA 1.423 -1.776 0 CA-C-N 123.592 2.906 . . . . 0.0 116.003 -151.287 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . 0.262 7.3 p 175.99 148.15 0.05 OUTLIER 'Isoleucine or valine' 1 C--N 1.443 4.671 0 CA-C-O 113.363 -3.208 . . . . 0.0 106.672 -174.818 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.303 52.7 m -136.17 159.96 40.14 Favored 'General case' 1 C--N 1.502 7.223 2 CA-C-N 131.586 6.539 . . . . 0.0 105.143 -18.103 . . . . . . . . 4 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.773 ' O ' ' HB1' ' A' ' 15' ' ' ALA 0.277 89.6 mt-10 -130.33 163.6 46.85 Favored Pre-proline 1 C--N 1.428 4.014 0 CA-C-N 122.04 2.2 . . . . 0.0 106.468 174.552 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.7 OUTLIER -77.3 160.01 32.77 Favored 'Trans proline' 1 N--CA 1.394 -4.335 0 CA-C-N 124.033 2.476 . . . . 0.0 107.104 173.321 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt . . . . . 0 N--CA 1.425 -1.695 0 O-C-N 121.1 -1.0 . . . . 0.0 108.851 -175.217 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.487 -1.448 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.6 p -126.95 -169.71 2.08 Favored 'General case' 0 N--CA 1.399 -2.991 0 O-C-N 119.931 -1.73 . . . . 0.0 108.216 -178.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.262 26.9 p -84.85 35.0 0.55 Allowed 'General case' 0 N--CA 1.406 -2.646 0 O-C-N 119.704 -1.873 . . . . 0.0 109.258 178.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.524 ' C ' ' HD3' ' A' ' 7' ' ' PRO . 39.0 tp10 -89.64 -1.36 58.0 Favored 'General case' 0 C--N 1.408 3.139 0 C-N-CA 125.607 1.563 . . . . 0.0 107.298 156.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.576 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 39.7 t0 -92.34 -35.23 13.84 Favored 'General case' 0 C--N 1.39 2.346 0 O-C-N 117.13 -3.481 . . . . 0.0 118.401 -162.032 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.576 ' SG ' ' HB3' ' A' ' 5' ' ' ASP 0.259 96.0 m 115.04 -58.75 0.0 OUTLIER Pre-proline 1 C--N 1.483 6.387 3 CA-C-N 133.211 7.278 . . . . 0.0 107.863 6.116 . . . . . . . . 5 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.697 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -88.72 -13.26 3.33 Favored 'Trans proline' 1 C--N 1.424 4.517 0 CA-C-N 125.446 2.981 . . . . 0.0 108.816 -159.312 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -98.3 -9.56 25.27 Favored 'General case' 0 N--CA 1.4 -2.936 0 O-C-N 119.689 -1.882 . . . . 0.0 106.634 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.49 ' ND1' ' O ' ' A' ' 9' ' ' HIS . 52.7 t-80 -79.65 -1.38 37.93 Favored 'General case' 0 N--CA 1.406 -2.673 0 O-C-N 120.497 -1.377 . . . . 0.0 110.699 -161.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 15' ' ' ALA . 42.1 t -113.3 -3.45 13.83 Favored 'General case' 0 N--CA 1.401 -2.911 0 O-C-N 118.872 -2.392 . . . . 0.0 106.972 175.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.96 -22.41 64.12 Favored 'General case' 0 C--N 1.409 3.173 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 171.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.314 91.3 m -37.88 -36.73 0.21 Allowed 'General case' 0 N--CA 1.4 -2.963 0 C-N-CA 123.698 0.799 . . . . 0.0 111.903 169.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . 0.315 15.6 mm100 -129.07 -59.81 1.1 Allowed 'General case' 0 C--N 1.399 2.756 0 O-C-N 120.646 -1.284 . . . . 0.0 108.398 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . 0.278 18.3 m120 -116.36 -29.49 6.19 Favored 'General case' 0 C--N 1.387 2.201 0 O-C-N 119.369 -2.082 . . . . 0.0 112.53 -165.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.824 ' HB1' ' O ' ' A' ' 27' ' ' GLU . . . -142.55 -162.19 1.38 Allowed 'General case' 0 N--CA 1.405 -2.688 0 N-CA-C 117.031 2.234 . . . . 0.0 117.031 -137.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.638 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 18.6 tpt180 -114.61 -156.9 0.61 Allowed 'General case' 0 N--CA 1.409 -2.522 1 N-CA-C 97.805 -4.887 . . . . 0.0 97.805 167.087 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.754 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -162.82 158.04 22.18 Favored 'General case' 0 C--N 1.417 3.535 2 CA-C-N 129.968 5.804 . . . . 0.0 119.177 178.368 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.54 ' HB3' ' HB2' ' A' ' 19' ' ' CYS 0.39 7.8 mmpt? -166.26 159.93 15.45 Favored 'General case' 1 C--N 1.437 4.408 0 CA-C-O 115.82 -2.038 . . . . 0.0 106.063 -174.27 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.54 ' HB2' ' HB3' ' A' ' 18' ' ' LYS . 38.7 t -173.58 61.15 0.02 OUTLIER 'General case' 0 C--N 1.415 3.418 3 N-CA-C 93.225 -6.583 . . . . 0.0 93.225 -13.6 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.628 ' H ' ' HA ' ' A' ' 24' ' ' CYS . 60.1 t0 -77.78 -164.45 0.51 Allowed 'General case' 0 C--N 1.392 2.442 0 CA-C-O 116.431 -1.747 . . . . 0.0 108.314 -143.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -50.54 -24.49 3.24 Favored 'General case' 0 C--N 1.42 3.647 0 CA-C-N 123.543 2.883 . . . . 0.0 107.759 -176.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -166.38 8.51 0.03 OUTLIER 'General case' 0 C--N 1.414 3.394 0 O-C-N 121.586 -0.696 . . . . 0.0 110.486 165.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' H ' ' HB3' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -162.91 37.91 0.1 Allowed 'General case' 1 C--N 1.461 5.429 1 N-CA-C 127.057 5.947 . . . . 0.0 127.057 -156.074 . . . . . . . . 5 4 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.628 ' HA ' ' H ' ' A' ' 20' ' ' ASP 0.294 85.9 m -146.51 140.39 26.15 Favored 'General case' 1 C--N 1.442 4.588 2 CA-C-N 133.635 7.47 . . . . 0.0 101.7 -12.909 . . . . . . . . 5 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.754 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 13.6 p -101.56 -122.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.419 3.617 0 CA-C-N 125.713 3.87 . . . . 0.0 110.281 -165.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.462 ' H ' HG13 ' A' ' 25' ' ' VAL . 82.1 m -114.23 164.09 14.36 Favored 'General case' 1 C--N 1.446 4.777 1 CA-C-N 127.651 4.751 . . . . 0.0 117.549 -158.258 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.824 ' O ' ' HB1' ' A' ' 15' ' ' ALA 0.258 98.8 mt-10 -133.22 172.09 7.99 Favored Pre-proline 1 C--N 1.447 4.833 0 N-CA-C 103.655 -2.72 . . . . 0.0 103.655 166.975 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.411 ' HD2' ' HB3' ' A' ' 27' ' ' GLU . 0.5 OUTLIER -79.56 164.18 23.74 Favored 'Trans proline' 0 N--CA 1.415 -3.138 0 CA-C-N 127.076 3.563 . . . . 0.0 107.88 173.291 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt . . . . . 0 C--N 1.377 1.782 0 O-C-N 120.709 -1.244 . . . . 0.0 109.137 -175.023 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.485 -1.529 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 57.9 p -125.38 177.43 6.17 Favored 'General case' 0 N--CA 1.392 -3.337 0 O-C-N 120.025 -1.672 . . . . 0.0 107.87 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.507 ' HA ' ' SG ' ' A' ' 6' ' ' CYS 0.276 21.9 p -81.28 67.75 7.33 Favored 'General case' 0 N--CA 1.392 -3.348 0 N-CA-C 106.179 -1.786 . . . . 0.0 106.179 173.398 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.513 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 28.7 tp10 -119.02 -31.9 4.61 Favored 'General case' 1 C--N 1.442 4.609 0 N-CA-C 105.597 -2.001 . . . . 0.0 105.597 166.697 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -79.73 -25.74 41.02 Favored 'General case' 0 CA--C 1.466 -2.272 0 O-C-N 119.203 -2.185 . . . . 0.0 105.262 176.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.507 ' SG ' ' HA ' ' A' ' 3' ' ' CYS . 71.9 m -64.59 -43.95 72.51 Favored Pre-proline 0 N--CA 1.381 -3.885 0 CA-C-O 116.224 -1.846 . . . . 0.0 110.691 -175.099 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.617 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -29.33 -2.49 0.0 OUTLIER 'Trans proline' 1 C--N 1.449 5.839 1 C-N-CA 125.635 4.223 . . . . 0.0 120.506 167.328 . . . . . . . . 5 4 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 6' ' ' CYS . 88.8 tt0 -119.53 -19.66 8.06 Favored 'General case' 0 N--CA 1.397 -3.09 0 O-C-N 118.499 -2.626 . . . . 0.0 109.236 177.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -74.98 -5.03 41.72 Favored 'General case' 0 C--N 1.379 1.857 0 O-C-N 120.03 -1.669 . . . . 0.0 113.351 -169.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.689 ' HB3' ' O ' ' A' ' 16' ' ' ARG . 53.8 t -118.68 3.38 11.7 Favored 'General case' 0 CA--C 1.464 -2.338 0 O-C-N 118.094 -2.879 . . . . 0.0 106.388 175.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.486 ' HA ' ' O ' ' A' ' 15' ' ' ALA . . . -72.98 -9.84 59.16 Favored 'General case' 0 C--N 1.394 2.541 0 N-CA-C 105.424 -2.065 . . . . 0.0 105.424 167.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.2 m -43.67 -37.96 2.86 Favored 'General case' 0 N--CA 1.391 -3.388 0 C-N-CA 122.94 0.496 . . . . 0.0 111.382 169.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -164.88 -15.87 0.03 OUTLIER 'General case' 0 C--N 1.416 3.466 0 O-C-N 119.418 -2.051 . . . . 0.0 114.031 -177.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . 0.265 22.7 m120 -126.98 -26.51 3.14 Favored 'General case' 0 CA--C 1.461 -2.455 0 O-C-N 118.768 -2.457 . . . . 0.0 110.901 -174.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.816 ' HB1' ' O ' ' A' ' 27' ' ' GLU . . . -165.51 -150.2 0.12 Allowed 'General case' 0 N--CA 1.392 -3.372 0 C-N-CA 116.425 -2.11 . . . . 0.0 113.254 -154.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.689 ' O ' ' HB3' ' A' ' 10' ' ' CYS . 59.6 ttt180 -120.68 -130.95 0.29 Allowed 'General case' 0 N--CA 1.394 -3.248 0 N-CA-C 100.375 -3.935 . . . . 0.0 100.375 172.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.617 ' HB3' ' HA ' ' A' ' 7' ' ' PRO . . . -161.57 153.16 18.94 Favored 'General case' 0 C--N 1.415 3.452 1 CA-C-N 128.262 5.028 . . . . 0.0 119.016 174.243 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.604 ' HB2' ' HB2' ' A' ' 19' ' ' CYS . 0.1 OUTLIER 179.54 154.53 0.5 Allowed 'General case' 0 C--N 1.412 3.315 0 N-CA-C 104.084 -2.562 . . . . 0.0 104.084 170.635 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.604 ' HB2' ' HB2' ' A' ' 18' ' ' LYS . 36.6 t -169.21 55.59 0.04 OUTLIER 'General case' 0 C--N 1.417 3.531 3 N-CA-C 96.655 -5.313 . . . . 0.0 96.655 -11.865 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.652 ' HB3' ' O ' ' A' ' 23' ' ' LYS . 56.9 t0 -69.41 -159.39 0.03 OUTLIER 'General case' 1 C--N 1.435 4.3 0 C-N-CA 124.725 1.21 . . . . 0.0 110.62 -158.135 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.1 p-10 -66.02 -25.4 67.05 Favored 'General case' 0 C--N 1.419 3.622 0 CA-C-N 123.183 2.719 . . . . 0.0 110.533 -168.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.439 ' OD1' ' HG3' ' A' ' 23' ' ' LYS . 52.8 p-10 -156.01 -6.56 0.12 Allowed 'General case' 0 N--CA 1.413 -2.287 0 O-C-N 120.09 -1.631 . . . . 0.0 110.222 -178.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.652 ' O ' ' HB3' ' A' ' 20' ' ' ASP . 0.4 OUTLIER -144.04 159.16 43.08 Favored 'General case' 0 N--CA 1.399 -3.006 0 N-CA-C 104.418 -2.438 . . . . 0.0 104.418 174.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.632 ' HA ' ' H ' ' A' ' 20' ' ' ASP 0.387 35.3 m -110.53 138.66 46.63 Favored 'General case' 0 N--CA 1.395 -3.207 0 CA-C-N 121.743 2.065 . . . . 0.0 111.005 -158.907 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.699 HG22 ' SG ' ' A' ' 26' ' ' CYS . 12.8 p -115.28 -88.05 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.393 2.5 0 C-N-CA 115.673 -2.411 . . . . 0.0 110.486 -167.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.699 ' SG ' HG22 ' A' ' 25' ' ' VAL . 73.5 m -133.17 157.15 46.09 Favored 'General case' 0 C--N 1.424 3.826 2 CA-C-N 128.625 5.193 . . . . 0.0 116.484 -162.378 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.816 ' O ' ' HB1' ' A' ' 15' ' ' ALA . 96.8 mt-10 -141.06 168.81 13.02 Favored Pre-proline 1 C--N 1.444 4.713 0 N-CA-C 105.009 -2.219 . . . . 0.0 105.009 171.827 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.5 OUTLIER -79.2 166.58 22.55 Favored 'Trans proline' 0 N--CA 1.415 -3.094 0 CA-C-N 127.073 3.562 . . . . 0.0 108.644 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt . . . . . 0 C--N 1.382 2.01 0 O-C-N 120.603 -1.311 . . . . 0.0 108.393 -174.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.482 -1.64 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.481 ' OG1' ' HG2' ' A' ' 4' ' ' GLU . 64.1 p -86.98 172.72 9.8 Favored 'General case' 0 N--CA 1.389 -3.518 0 O-C-N 120.045 -1.659 . . . . 0.0 107.468 -178.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.3 p -78.69 35.8 0.25 Allowed 'General case' 0 N--CA 1.415 -2.218 0 O-C-N 119.66 -1.9 . . . . 0.0 109.491 -178.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.481 ' HG2' ' OG1' ' A' ' 2' ' ' THR . 21.4 pt-20 -99.56 2.51 44.78 Favored 'General case' 0 C--N 1.415 3.423 0 O-C-N 119.346 -2.097 . . . . 0.0 108.619 177.233 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -105.57 3.93 29.82 Favored 'General case' 0 C--N 1.381 1.971 0 N-CA-C 104.191 -2.522 . . . . 0.0 104.191 172.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.483 ' HB3' ' HB2' ' A' ' 24' ' ' CYS 0.252 70.5 m -106.15 -4.76 0.11 Allowed Pre-proline 0 N--CA 1.382 -3.859 0 O-C-N 119.867 -1.771 . . . . 0.0 113.736 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.636 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -86.82 3.76 6.55 Favored 'Trans proline' 1 C--N 1.446 5.699 0 CA-C-N 125.314 2.934 . . . . 0.0 108.217 -155.98 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . 0.252 74.4 tt0 -110.28 -15.69 13.91 Favored 'General case' 0 N--CA 1.395 -3.177 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 178.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -71.36 -7.46 47.34 Favored 'General case' 0 N--CA 1.42 -1.95 0 O-C-N 120.156 -1.59 . . . . 0.0 111.355 -164.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.1 t -113.71 2.28 15.16 Favored 'General case' 0 N--CA 1.411 -2.393 0 O-C-N 118.848 -2.407 . . . . 0.0 107.527 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.91 -18.75 63.41 Favored 'General case' 0 C--N 1.401 2.818 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 170.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.268 89.6 m -40.05 -35.98 0.43 Allowed 'General case' 0 N--CA 1.393 -3.317 0 C-N-CA 123.335 0.654 . . . . 0.0 111.637 171.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -131.87 -50.25 0.96 Allowed 'General case' 0 C--N 1.41 3.235 0 O-C-N 119.291 -2.13 . . . . 0.0 109.937 176.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . 0.293 54.2 m-20 -124.03 -21.98 4.94 Favored 'General case' 0 C--N 1.392 2.414 0 O-C-N 118.769 -2.457 . . . . 0.0 112.892 -169.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.652 ' HB1' ' O ' ' A' ' 27' ' ' GLU 0.282 . . -140.78 -175.75 4.41 Favored 'General case' 0 N--CA 1.405 -2.695 0 N-CA-C 117.178 2.288 . . . . 0.0 117.178 -140.358 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.571 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 10.2 tpt180 -101.36 -153.23 0.45 Allowed 'General case' 0 C--N 1.39 2.343 1 N-CA-C 99.65 -4.204 . . . . 0.0 99.65 163.698 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.666 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -164.25 152.5 12.76 Favored 'General case' 0 C--N 1.415 3.435 2 CA-C-N 128.777 5.262 . . . . 0.0 117.778 178.718 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.64 ' HD2' ' SG ' ' A' ' 19' ' ' CYS 0.423 2.2 mmmp? -167.58 162.06 14.04 Favored 'General case' 1 C--N 1.444 4.703 0 CA-C-O 114.51 -2.662 . . . . 0.0 105.429 -174.178 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.64 ' SG ' ' HD2' ' A' ' 18' ' ' LYS . 73.1 m -160.92 82.79 0.65 Allowed 'General case' 0 C--N 1.427 3.955 4 N-CA-C 92.012 -7.032 . . . . 0.0 92.012 -29.589 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.576 ' H ' ' HA ' ' A' ' 24' ' ' CYS . 59.7 t0 -84.97 -150.79 0.13 Allowed 'General case' 0 C--N 1.384 2.098 0 O-C-N 120.089 -1.632 . . . . 0.0 109.553 -139.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.1 p-10 -60.81 -15.61 31.83 Favored 'General case' 0 C--N 1.411 3.245 0 CA-C-N 122.348 2.34 . . . . 0.0 107.201 174.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -164.02 -8.81 0.03 OUTLIER 'General case' 0 N--CA 1.401 -2.916 0 C-N-CA 118.313 -1.355 . . . . 0.0 111.553 162.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.42 ' H ' ' HB3' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -172.14 46.23 0.02 OUTLIER 'General case' 1 C--N 1.46 5.382 1 N-CA-C 124.521 5.008 . . . . 0.0 124.521 -149.32 . . . . . . . . 5 4 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.576 ' HA ' ' H ' ' A' ' 20' ' ' ASP . 63.7 m -143.01 166.88 23.41 Favored 'General case' 1 C--N 1.433 4.215 2 CA-C-N 132.95 7.159 . . . . 0.0 102.25 -9.826 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.666 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 15.0 p -122.97 -127.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.42 3.664 1 CA-C-N 126.639 4.29 . . . . 0.0 109.703 -176.461 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.475 ' SG ' HG22 ' A' ' 25' ' ' VAL . 76.9 m -111.7 166.47 11.15 Favored 'General case' 1 C--N 1.439 4.497 1 CA-C-N 126.998 4.453 . . . . 0.0 117.667 -154.765 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.652 ' O ' ' HB1' ' A' ' 15' ' ' ALA . 95.9 mt-10 -136.53 174.96 3.89 Favored Pre-proline 1 C--N 1.447 4.81 0 N-CA-C 104.68 -2.341 . . . . 0.0 104.68 166.33 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.499 ' HD2' ' HB3' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -81.07 169.25 16.35 Favored 'Trans proline' 0 C--N 1.403 3.422 0 CA-C-N 126.776 3.456 . . . . 0.0 108.048 172.672 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt . . . . . 0 C--N 1.375 1.69 0 O-C-N 120.693 -1.255 . . . . 0.0 108.865 -175.499 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.491 -1.323 0 CA-C-O 118.046 -0.978 . . . . 0.0 109.0 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.2 t 31.69 50.21 0.14 Allowed 'General case' 1 C--N 1.43 4.066 0 CA-C-N 119.7 1.136 . . . . 0.0 109.867 -176.209 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.475 ' HA ' ' SG ' ' A' ' 6' ' ' CYS . 28.1 p -77.3 24.64 0.18 Allowed 'General case' 0 N--CA 1.398 -3.047 0 O-C-N 118.413 -2.679 . . . . 0.0 109.5 -178.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -93.16 -0.81 56.83 Favored 'General case' 0 C--N 1.426 3.913 0 O-C-N 119.737 -1.852 . . . . 0.0 108.116 171.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -111.06 5.34 20.14 Favored 'General case' 0 CA--C 1.457 -2.61 0 N-CA-C 105.639 -1.986 . . . . 0.0 105.639 175.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.499 ' HB3' ' HB2' ' A' ' 24' ' ' CYS 0.295 73.6 m -96.95 -17.63 0.21 Allowed Pre-proline 0 N--CA 1.386 -3.643 0 CA-C-O 117.005 -1.474 . . . . 0.0 114.012 173.822 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.596 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -81.52 -6.71 12.7 Favored 'Trans proline' 2 N--CA 1.381 -5.134 0 CA-C-N 125.442 2.979 . . . . 0.0 108.076 -158.045 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -97.32 -3.36 40.62 Favored 'General case' 0 N--CA 1.4 -2.97 0 O-C-N 119.272 -2.143 . . . . 0.0 107.862 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -83.32 -22.31 32.95 Favored 'General case' 0 N--CA 1.41 -2.46 0 O-C-N 120.108 -1.62 . . . . 0.0 109.891 -164.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.588 ' HB3' ' O ' ' A' ' 16' ' ' ARG . 49.5 t -94.1 8.43 41.59 Favored 'General case' 0 C--N 1.38 1.91 0 O-C-N 118.909 -2.369 . . . . 0.0 107.513 178.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.69 -16.54 62.8 Favored 'General case' 0 C--N 1.388 2.281 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 172.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.4 m -61.51 -40.13 93.51 Favored 'General case' 0 N--CA 1.389 -3.486 0 O-C-N 121.556 -0.715 . . . . 0.0 110.51 178.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -111.95 -57.62 2.24 Favored 'General case' 0 C--N 1.394 2.502 0 O-C-N 119.904 -1.747 . . . . 0.0 108.666 -176.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -104.29 -66.84 0.93 Allowed 'General case' 0 N--CA 1.408 -2.53 0 O-C-N 119.437 -2.039 . . . . 0.0 108.373 -174.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 27' ' ' GLU . . . -166.23 -61.08 0.03 OUTLIER 'General case' 0 N--CA 1.408 -2.555 0 CA-C-N 122.881 2.582 . . . . 0.0 113.528 -167.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.602 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 36.0 ttt180 -153.41 -160.63 1.14 Allowed 'General case' 0 C--N 1.386 2.156 0 CA-C-N 123.062 2.665 . . . . 0.0 106.163 -178.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.596 ' HB3' ' HA ' ' A' ' 7' ' ' PRO . . . -162.94 173.53 13.53 Favored 'General case' 0 C--N 1.423 3.775 1 CA-C-N 127.813 4.824 . . . . 0.0 117.895 -176.832 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 25' ' ' VAL 0.364 3.9 mmmp? -178.59 144.76 0.29 Allowed 'General case' 0 C--N 1.426 3.904 0 N-CA-C 102.065 -3.309 . . . . 0.0 102.065 -168.645 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.0 t 168.22 49.27 0.0 OUTLIER 'General case' 0 C--N 1.408 3.147 3 CA-C-N 130.618 6.099 . . . . 0.0 94.544 -7.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.909 ' HB3' ' O ' ' A' ' 23' ' ' LYS . 46.5 t0 -81.18 -155.55 0.12 Allowed 'General case' 0 C--N 1.408 3.144 0 CA-C-O 117.088 -1.434 . . . . 0.0 107.965 -151.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.427 ' OD1' ' NZ ' ' A' ' 23' ' ' LYS . 24.4 p-10 -54.37 -27.61 37.51 Favored 'General case' 0 C--N 1.426 3.923 0 CA-C-N 123.281 2.764 . . . . 0.0 109.351 -172.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -160.95 -15.74 0.05 OUTLIER 'General case' 0 N--CA 1.418 -2.068 0 O-C-N 120.972 -1.08 . . . . 0.0 108.093 163.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.909 ' O ' ' HB3' ' A' ' 20' ' ' ASP . 1.0 OUTLIER -125.16 132.12 53.12 Favored 'General case' 0 C--N 1.386 2.155 0 O-C-N 119.503 -1.998 . . . . 0.0 106.232 -170.219 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.499 ' HB2' ' HB3' ' A' ' 6' ' ' CYS 0.384 30.6 m -107.33 150.99 26.08 Favored 'General case' 0 N--CA 1.426 -1.672 0 O-C-N 119.541 -1.974 . . . . 0.0 114.784 -150.565 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.474 HG22 ' N ' ' A' ' 26' ' ' CYS . 14.7 p -144.05 -155.63 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.424 3.832 0 CA-C-N 121.371 1.896 . . . . 0.0 109.947 179.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.516 ' HA ' ' O ' ' A' ' 16' ' ' ARG . 39.1 m -69.62 158.04 36.06 Favored 'General case' 0 C--N 1.396 2.605 0 N-CA-C 120.973 3.694 . . . . 0.0 120.973 -136.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.613 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 97.0 mt-10 -131.67 168.3 18.12 Favored Pre-proline 1 C--N 1.436 4.336 0 N-CA-C 102.953 -2.98 . . . . 0.0 102.953 161.842 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -85.06 161.82 11.64 Favored 'Trans proline' 1 C--N 1.424 4.529 0 CA-C-N 124.731 2.725 . . . . 0.0 109.262 177.71 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.463 ' N ' ' HB1' ' A' ' 15' ' ' ALA . 16.3 ptmt . . . . . 0 C--N 1.391 2.413 0 O-C-N 120.829 -1.169 . . . . 0.0 109.21 -173.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.482 -1.672 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.5 p 50.82 -169.3 0.03 OUTLIER 'General case' 0 C--N 1.409 3.174 0 CA-C-N 118.876 0.762 . . . . 0.0 111.728 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.7 p -81.0 75.51 7.98 Favored 'General case' 0 N--CA 1.385 -3.694 0 N-CA-C 103.989 -2.597 . . . . 0.0 103.989 168.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -102.44 -35.3 8.83 Favored 'General case' 0 C--N 1.409 3.188 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 168.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -78.21 -60.46 2.36 Favored 'General case' 0 CA--C 1.462 -2.412 0 O-C-N 119.216 -2.177 . . . . 0.0 105.978 -178.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 8' ' ' GLU . 86.3 m -32.95 -42.38 0.31 Allowed Pre-proline 0 C--N 1.405 2.981 0 CA-C-O 114.555 -2.64 . . . . 0.0 114.601 -178.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.653 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -26.8 -16.49 0.0 OUTLIER 'Trans proline' 1 C--N 1.449 5.851 0 C-N-CA 124.197 3.265 . . . . 0.0 117.322 158.207 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 6' ' ' CYS 0.35 78.6 tt0 -115.82 -35.29 4.52 Favored 'General case' 0 N--CA 1.382 -3.837 0 O-C-N 119.99 -1.694 . . . . 0.0 108.918 177.501 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.417 ' N ' ' O ' ' A' ' 6' ' ' CYS . 59.9 t60 -68.0 -7.25 27.41 Favored 'General case' 0 C--N 1.392 2.444 0 O-C-N 120.106 -1.622 . . . . 0.0 112.748 -165.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 52.0 t -110.37 -2.1 16.82 Favored 'General case' 0 C--N 1.385 2.128 0 O-C-N 118.467 -2.646 . . . . 0.0 108.091 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.496 ' HA ' ' O ' ' A' ' 15' ' ' ALA . . . -72.01 -14.41 61.88 Favored 'General case' 0 C--N 1.388 2.246 0 N-CA-C 106.078 -1.823 . . . . 0.0 106.078 170.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.269 87.1 m -49.95 -33.94 19.21 Favored 'General case' 0 N--CA 1.393 -3.32 0 C-N-CA 122.727 0.411 . . . . 0.0 111.547 173.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . 0.333 32.8 mm-40 -126.99 -55.28 1.38 Allowed 'General case' 0 C--N 1.4 2.771 0 O-C-N 119.946 -1.721 . . . . 0.0 109.572 -177.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . 0.321 36.7 t30 -124.53 -35.52 2.74 Favored 'General case' 0 N--CA 1.416 -2.172 0 O-C-N 120.038 -1.664 . . . . 0.0 110.604 -160.049 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.895 ' HB1' ' O ' ' A' ' 27' ' ' GLU . . . -141.99 -154.43 0.52 Allowed 'General case' 0 N--CA 1.384 -3.736 0 C-N-CA 116.994 -1.882 . . . . 0.0 114.066 -147.088 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.554 HH11 ' HG3' ' A' ' 16' ' ' ARG . 12.0 ttt85 -118.11 -144.23 0.37 Allowed 'General case' 0 N--CA 1.393 -3.323 1 N-CA-C 97.832 -4.877 . . . . 0.0 97.832 168.208 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.813 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -163.21 158.73 22.0 Favored 'General case' 0 C--N 1.414 3.413 1 CA-C-N 129.387 5.54 . . . . 0.0 121.657 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.53 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 27.3 mmtp -121.77 -144.43 0.34 Allowed 'General case' 1 C--N 1.435 4.304 0 C-N-CA 125.126 1.37 . . . . 0.0 110.833 -171.345 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.53 ' H ' ' HB3' ' A' ' 18' ' ' LYS 0.335 45.3 m -129.31 135.76 49.16 Favored 'General case' 2 C--N 1.443 4.666 0 N-CA-C 104.193 -2.521 . . . . 0.0 104.193 -168.34 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.477 ' N ' ' HA ' ' A' ' 24' ' ' CYS . 68.3 t0 -104.47 -146.73 0.38 Allowed 'General case' 0 C--N 1.406 3.058 0 CA-C-N 123.587 2.903 . . . . 0.0 104.71 -168.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -70.41 -41.59 72.77 Favored 'General case' 0 C--N 1.401 2.805 0 CA-C-N 125.131 3.605 . . . . 0.0 106.17 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . 0.264 50.6 m-20 -143.35 -28.73 0.54 Allowed 'General case' 0 C--N 1.387 2.226 0 O-C-N 120.353 -1.467 . . . . 0.0 107.122 176.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.479 ' O ' ' HD3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -113.6 84.55 2.04 Favored 'General case' 0 C--N 1.382 1.985 0 CA-C-O 124.416 2.055 . . . . 0.0 105.98 -169.532 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.477 ' HA ' ' N ' ' A' ' 20' ' ' ASP 0.288 7.2 p -41.39 157.65 0.02 OUTLIER 'General case' 0 N--CA 1.433 -1.295 0 N-CA-C 119.714 3.228 . . . . 0.0 119.714 -170.021 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.813 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 14.9 p -154.05 -127.32 0.01 OUTLIER 'Isoleucine or valine' 1 C--N 1.476 6.088 0 CA-C-O 114.398 -2.715 . . . . 0.0 109.541 -165.464 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.536 ' SG ' HG22 ' A' ' 25' ' ' VAL 0.263 64.1 m -107.16 156.75 18.48 Favored 'General case' 1 C--N 1.49 6.697 1 CA-C-N 127.743 4.792 . . . . 0.0 120.438 -151.872 . . . . . . . . 5 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.895 ' O ' ' HB1' ' A' ' 15' ' ' ALA 0.284 96.4 mt-10 -133.39 179.46 1.37 Allowed Pre-proline 1 C--N 1.48 6.272 0 N-CA-C 104.869 -2.271 . . . . 0.0 104.869 169.331 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.553 ' HD2' ' HB3' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -84.76 163.36 12.15 Favored 'Trans proline' 1 C--N 1.421 4.378 0 CA-C-N 127.265 3.63 . . . . 0.0 109.04 170.83 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.431 ' HA ' ' HB2' ' A' ' 16' ' ' ARG . 17.4 ptmt . . . . . 0 C--N 1.389 2.291 0 O-C-N 120.655 -1.278 . . . . 0.0 109.064 -177.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.475 -1.915 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.5 p 45.3 45.02 9.62 Favored 'General case' 0 C--N 1.412 3.298 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 -173.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.0 p -76.26 26.9 0.12 Allowed 'General case' 0 N--CA 1.398 -3.072 0 O-C-N 120.024 -1.673 . . . . 0.0 108.656 177.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.625 ' C ' ' HD3' ' A' ' 7' ' ' PRO . 17.0 pt-20 -83.15 8.54 12.84 Favored 'General case' 0 C--N 1.411 3.268 0 O-C-N 120.179 -1.575 . . . . 0.0 109.415 160.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.755 ' N ' ' HB2' ' A' ' 6' ' ' CYS . 13.0 t70 -107.09 -12.2 15.46 Favored 'General case' 0 C--N 1.402 2.886 0 N-CA-C 119.672 3.212 . . . . 0.0 119.672 -163.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.755 ' HB2' ' N ' ' A' ' 5' ' ' ASP . 83.4 m 104.88 -42.63 0.0 OUTLIER Pre-proline 1 C--N 1.482 6.345 3 CA-C-N 133.309 7.322 . . . . 0.0 110.85 -3.091 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.625 ' HD3' ' C ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -97.94 -5.13 1.02 Allowed 'Trans proline' 2 C--N 1.447 5.751 0 CA-C-N 126.458 3.342 . . . . 0.0 108.08 -168.121 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -107.37 -12.78 15.25 Favored 'General case' 0 N--CA 1.382 -3.86 0 N-CA-C 104.601 -2.37 . . . . 0.0 104.601 -178.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -76.14 -1.3 25.48 Favored 'General case' 0 N--CA 1.406 -2.627 0 O-C-N 120.628 -1.295 . . . . 0.0 111.847 -168.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.766 ' HB2' HG23 ' A' ' 25' ' ' VAL . 42.2 t -111.01 -5.88 14.75 Favored 'General case' 0 C--N 1.382 2.009 0 O-C-N 118.632 -2.543 . . . . 0.0 107.032 177.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.57 -20.15 63.67 Favored 'General case' 0 C--N 1.402 2.868 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 172.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.296 88.5 m -42.19 -36.51 1.22 Allowed 'General case' 0 N--CA 1.399 -2.99 0 C-N-CA 123.298 0.639 . . . . 0.0 111.926 171.267 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . 0.294 0.8 OUTLIER -122.92 -62.08 1.38 Allowed 'General case' 0 C--N 1.397 2.639 0 O-C-N 120.064 -1.648 . . . . 0.0 107.903 -179.692 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.5 p-10 -140.65 0.9 1.68 Allowed 'General case' 0 C--N 1.389 2.326 0 O-C-N 119.7 -1.875 . . . . 0.0 113.985 -163.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.769 ' HB1' ' O ' ' A' ' 27' ' ' GLU . . . -150.13 -146.66 0.2 Allowed 'General case' 0 N--CA 1.415 -2.223 0 CA-C-N 122.515 2.416 . . . . 0.0 114.645 -166.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.556 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 20.8 tpt180 -127.94 -156.32 0.75 Allowed 'General case' 0 C--N 1.386 2.183 1 N-CA-C 95.834 -5.617 . . . . 0.0 95.834 175.471 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.603 ' HB1' ' HA ' ' A' ' 25' ' ' VAL . . . -158.87 -179.1 7.75 Favored 'General case' 0 C--N 1.406 3.033 1 CA-C-N 129.611 5.641 . . . . 0.0 119.312 173.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.469 ' HG2' ' HG3' ' A' ' 27' ' ' GLU . 3.7 mmmp? -144.34 -105.7 0.11 Allowed 'General case' 1 C--N 1.429 4.049 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -174.794 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . 0.362 6.1 t -158.17 115.93 2.98 Favored 'General case' 0 N--CA 1.39 -3.453 0 O-C-N 119.204 -2.185 . . . . 0.0 105.449 -149.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.675 ' HB2' HG12 ' A' ' 25' ' ' VAL . 63.1 t0 -98.99 -148.68 0.34 Allowed 'General case' 0 C--N 1.391 2.373 0 CA-C-O 115.894 -2.003 . . . . 0.0 106.588 -159.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -54.0 -33.77 58.04 Favored 'General case' 1 C--N 1.432 4.174 0 CA-C-N 124.509 3.322 . . . . 0.0 105.883 176.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -158.53 7.96 0.13 Allowed 'General case' 0 C--N 1.391 2.399 0 O-C-N 121.15 -0.969 . . . . 0.0 108.442 163.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.623 ' H ' ' HB3' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -162.07 64.01 0.23 Allowed 'General case' 1 C--N 1.437 4.41 0 N-CA-C 120.775 3.62 . . . . 0.0 120.775 -154.053 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.492 ' HB3' ' HB3' ' A' ' 6' ' ' CYS 0.448 71.9 m -154.1 131.66 11.38 Favored 'General case' 1 C--N 1.443 4.66 2 CA-C-N 131.057 6.299 . . . . 0.0 103.585 -11.834 . . . . . . . . 5 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.766 HG23 ' HB2' ' A' ' 10' ' ' CYS . 10.6 p -175.25 158.3 0.32 Allowed 'Isoleucine or valine' 1 C--N 1.434 4.267 0 CA-C-N 125.853 3.933 . . . . 0.0 107.307 -174.755 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.637 ' SG ' HG22 ' A' ' 25' ' ' VAL 0.361 65.0 m -132.6 167.1 20.64 Favored 'General case' 1 C--N 1.525 8.236 2 CA-C-N 132.792 7.087 . . . . 0.0 107.192 -10.085 . . . . . . . . 5 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.769 ' O ' ' HB1' ' A' ' 15' ' ' ALA 0.285 91.7 mt-10 -136.02 167.19 23.02 Favored Pre-proline 1 C--N 1.446 4.78 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 164.659 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER -85.01 175.19 6.78 Favored 'Trans proline' 0 N--CA 1.409 -3.453 0 CA-C-N 125.473 2.99 . . . . 0.0 107.351 168.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? . . . . . 0 C--N 1.388 2.267 0 O-C-N 119.794 -1.816 . . . . 0.0 107.9 177.17 . . . . . . . . 0 0 . 1 stop_ save_